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Sökning: WFRF:(Odén Magnus)

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1.
  • Björk, Emma M., 1981- (författare)
  • Mesoporous Building Blocks : Synthesis and Characterization of Mesoporous Silica Particles and Films
  • 2013
  • Doktorsavhandling (övrigt vetenskapligt/konstnärligt)abstract
    • Catalyst supports, drug delivery systems, hosts for nanoparticles, and solar cells are just some examples of the wide range of exciting applications for mesoporous silica. In order to optimize the performance of a specific application, controlling the material’s morphology and pore size is crucial. For example, short and separated particles are beneficial for drug delivery systems, while for molecular sieves, the pore size is the key parameter.In this thesis, mesoporous silica building blocks, crystallites, with hexagonally ordered cylindrical pores were synthesized, with the aim to understand how the synthesis parameters affect the particle morphology and pore size. The synthesis of the particles is performed using a sol-gel process, and in order to increase the pore size, a combination of low temperature, and additions of heptane and NH4F was used. By variations in the amounts of reagents, as well as other synthesis conditions, the particle morphology and pore size could be altered. Separated particles were also grown on or attached to substrates to form films. Also, a material with spherical pore structure was synthesized, for the first time using this method.It was found that a variation in the heptane concentration, in combination with a long stirring time, yields a transition between fiber and sheet morphologies. Both morphologies consist of crystallites, which for the fibers are joined end to end, while for the sheets they are attached side by side such that the pores are accessible from the sheet surface. The crystallites can be separated to a rod morphology by decreasing the stirring time and tuning the HCl concentration, and it was seen that these rods are formed within 5 min of static time, even though the pore size and unit cell parameters were evolving for another 30 min. Further studies of the effects of heptane showed that the shape and mesoscopic parameters of the rods are affected by the heptane concentration, up to a value where the micelles are fully saturated with heptane. It was also observed that the particle width increases with decreasing NH4F concentration, independent of heptane amount, and a platelet morphology can be formed. The formation time of the particles decrease with decreasing NH4F, and the growth mechanism for platelets was further studied. The pore sizes for various morphologies were altered by e.g. variations in the hydrothermal treatment conditions, or the method for removing the surfactants.The separated particles can be attached to substrates, either during the particle synthesis or by post grafting prior to calcination. The film formation during the one-pot-synthesis was studied and a formation mechanism including nucleation of elongated micelles on the substrate was suggested. During the post grafting film synthesis, the medium in which the particles are dispersed, as well as functionalization of both particle and substrate are crucial for the post grafting process. The pores are easily accessible independent of the method, even though they are aligned parallel to the substrate when the one-pot-method is used, while post grafting gives a perpendicular pore orientation.In summary, this work aims to give an understanding for the formation of the synthesized material, and how to tune the material properties by alterations in parameter space. Successful syntheses of four different particle morphologies and two new types of films were performed, and the pore size could easily be tuned by various methods.
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2.
  • Jiao, Fei, et al. (författare)
  • Nanofibrillated Cellulose-Based Electrolyte and Electrode for Paper-Based Supercapacitors
  • 2018
  • Ingår i: ADVANCED SUSTAINABLE SYSTEMS. - : Wiley. - 2366-7486. ; 2:1
  • Tidskriftsartikel (refereegranskat)abstract
    • Solar photovoltaic technologies could fully deploy and impact the energy conversion systems in our society if mass-produced energy-storage solutions exist. A supercapacitor can regulate the fluctuations on the electrical grid on short time scales. Their mass-implementation requires the use of abundant materials, biological and organic synthetic materials are attractive because of atomic element abundancy and low-temperature synthetic processes. Nanofibrillated cellulose (NFC) coming from the forest industry is exploited as a three-dimensional template to control the transport of ions in an electrolyte-separator, with nanochannels filled of aqueous electrolyte. The nanochannels are defined by voids in the nanocomposite made of NFC and the proton transporting polymer polystyrene sulfonic acid PSSH. The ionic conductivity of NFC-PSSH composites (0.2 S cm(-1) at 100% relative humidity) exceeds sea water in a material that is solid, feel dry to the finger, but filled of nanodomains of water. A paper-based supercapacitor made of NFC-PSSH electrolyte-separator sandwiched between two paper-based electrodes is demonstrated. Although modest specific capacitance (81.3 F g(-1)), power density (2040 W kg(-1)) and energy density (1016 Wh kg(-1)), this is the first conceptual demonstration of a supercapacitor based on cellulose in each part of the device; which motivates the search for using paper manufacturing as mass-production of energy-storage devices.
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3.
  • Wu, Zhixing, 1990-, et al. (författare)
  • Conducting Polymer‐Based e‐Refinery for Sustainable Hydrogen Peroxide Production
  • 2023
  • Ingår i: Energy & Environmental Materials. - : Wiley-Blackwell. - 2575-0356.
  • Tidskriftsartikel (refereegranskat)abstract
    • Electrocatalysis enables the industrial transition to sustainable production of chemicals using abundant precursors and electricity from renewable sources. De-centralized production of hydrogen peroxide (H2O2) from water and oxygen of air is highly desirable for daily life and industry. We report an effective electrochemical refinery (e-refinery) for H2O2 by means of electrocatalysis-controlled comproportionation reaction (2(H)O + O -> 2(HO)), feeding pure water and oxygen only. Mesoporous nickel (II) oxide (NiO) was used as electrocatalyst for oxygen evolution reaction (OER), producing oxygen at the anode. Conducting polymer poly(3,4-ethylenedioxythiophene): poly(styrene sulfonate) (PEDOT:PSS) drove the oxygen reduction reaction (ORR), forming H2O2 on the cathode. The reactions were evaluated in both half-cell and device configurations. The performance of the H2O2 e-refinery, assembled on anion-exchange solid electrolyte and fed with pure water, was limited by the unbalanced ionic transport. Optimization of the operation conditions allowed a conversion efficiency of 80%.
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4.
  • Abrikosov, Igor, et al. (författare)
  • Phase Stability and Elasticity of TiAlN
  • 2011
  • Ingår i: Materials. - : MDPI. - 1996-1944 .- 1996-1944. ; 4:9, s. 1599-1618
  • Tidskriftsartikel (refereegranskat)abstract
    • We review results of recent combined theoretical and experimental studies of Ti1−xAlxN, an archetypical alloy system material for hard-coating applications. Theoretical simulations of lattice parameters, mixing enthalpies, and elastic properties are presented. Calculated phase diagrams at ambient pressure, as well as at pressure of 10 GPa, show a wide miscibility gap and broad region of compositions and temperatures where the spinodal decomposition takes place. The strong dependence of the elastic properties and sound wave anisotropy on the Al-content offers detailed understanding of the spinodal decomposition and age hardening in Ti1−xAlxN alloy films and multilayers. TiAlN/TiN multilayers can further improve the hardness and thermal stability compared to TiAlN since they offer means to influence the kinetics of the favorable spinodal decomposition and suppress the detrimental transformation to w-AlN. Here, we show that a 100 degree improvement in terms of w-AlN suppression can be achieved, which is of importance when the coating is used as a protective coating on metal cutting inserts.
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5.
  • Alling, Björn, et al. (författare)
  • Pressure enhancement of the isostructural cubic decomposition in Ti1−xAlxN
  • 2009
  • Ingår i: Applied Physics Letters. - : AIP Publishing. - 0003-6951 .- 1077-3118. ; 95:181906
  • Tidskriftsartikel (refereegranskat)abstract
    • The influence of pressure on the phase stabilities of Ti1−xAlxN solid solutions has been studied using first principles calculations. We find that the application of hydrostatic pressure enhances the tendency for isostructural decomposition, including spinodal decomposition. The effect originates in the gradual pressure stabilization of cubic AlN with respect to the wurtzite structure and an increased isostructural cubic mixing enthalpy with increased pressure. The influence is sufficiently strong in the composition-temperature interval corresponding to a shoulder of the spinodal line that it could impact the stability of the material at pressures achievable in the tool-work piece contact during cutting operations
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6.
  • Almer, Jonathan, et al. (författare)
  • Microstructural evolution during tempering of arc-evaporated Cr-N coatings
  • 2000
  • Ingår i: Journal of Vacuum Science & Technology. A. Vacuum, Surfaces, and Films. - : American Vacuum Society. - 0734-2101 .- 1520-8559. ; 18:1, s. 121-130
  • Tidskriftsartikel (refereegranskat)abstract
    • Cr-N coatings were arc-deposited at 50 and 300 V. The changes in the coating microstructure and phase content during tempering were monitored. As a result, the phase stability and activation energies for defect diffusion were determined as a function of ion energy.
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7.
  • Almer, J, et al. (författare)
  • Microstructure and thermal stability of arc-evaporated Cr-C-N coatings
  • 2004
  • Ingår i: Philosophical Magazine. - : Informa UK Limited. - 1478-6435 .- 1478-6443. ; 84:7, s. 611-630
  • Tidskriftsartikel (refereegranskat)abstract
    • The role of C incorporation in the microstructure and thermal stability of arc-evaporated Cr-C-N coatings is explored via reactive growth in a mixed C2H4-N2 environment. C is found to react more readily than N at both the Cr cathode and the coating surfaces, so that a C2H4-to-N2 flow ratio of only 1% yields a C-to-N ratio of approximately 10% within the coatings. The as-deposited microstructures consist primarily of the δ-Cr(C, N) phase and possess high compressive residual stresses, which decrease with increasing C content. Post-deposition annealing up to 700°C results in depletion of lattice defects, and concomitant reductions in stress and coating hardness, together with phase transformations which suggest metastable phase formation during growth. Apparent activation energies for this lattice defect are found to be in the range expected for bulk diffusion of N and C (2.4-2.8 eV). The results suggest that inclusion of small amounts of C in this system offers the ability to reduce internal stresses while maintaining defect-related hardness increases, permitting growth of thicker and thus more wear-resistant coatings.
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8.
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9.
  • Almer, J, et al. (författare)
  • Microstructure, stress and mechanical properties of arc-evaporated Cr-C-N coatings
  • 2001
  • Ingår i: Thin Solid Films. - 0040-6090 .- 1879-2731. ; 385:1-2, s. 190-197
  • Tidskriftsartikel (refereegranskat)abstract
    • The relationships between coating microstructure and properties in the Cr-C-N system have been investigated as a function of composition and post-deposition annealing. Coatings of varying compositions were grown using arc-evaporation, by varying the reactive gas flow ratio fR = f(C2H4)/f(N2) from 0 to 0.2, and were found to consist primarily of the cubic d-Cr(C,N) phase. Changes in both the unstressed lattice parameter, ao, and X-ray diffraction background intensity indicate that both the carbon concentration within the d-phase and amorphous/crystalline content increases with fR. Increasing fR also decreases the magnitude of the compressive biaxial residual stress, from approximately 6 to 1 GPa, while increasing both the inhomogeneous stress and thermal stability. The elastic modulus and hardness of as-deposited coatings were determined from nanoindentation to be 320 and 23 GPa, respectively, for moderate carbon concentrations (fR=0.05). Concurrent variations in microstructure and hardness with post-deposition annealing indicate that the as-deposited hardness is significantly enhanced by the microstructure, primarily by lattice defects and related stresses (microstresses) rather than average stresses (macrostresses).
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10.
  • Almer, J., et al. (författare)
  • Strain and texture analysis of coatings using high-energy x-rays
  • 2003
  • Ingår i: Journal of Applied Physics. - : AIP Publishing. - 0021-8979 .- 1089-7550. ; 94:1, s. 697-702
  • Tidskriftsartikel (refereegranskat)abstract
    • We investigate the internal strain and crystallographic orientation (texture) in physical-vapor deposited metal nitride coatings of TiN and CrN. A high-energy diffraction technique is presented that uses synchrotron x rays and an area detector, and which allows the strain and intensity distributions of multiple crystallographic planes to be measured by a single x-ray exposure. Unique texture states and nonlinear sin2 strain distributions are observed for all coatings investigated. Quantitative analysis indicates that existing micromechanical models can reasonably predict strain and corresponding stress for mixed-hkl reflections but are inadequate for fully describing measured data. Alternative mechanisms involving deposition-induced defects are proposed
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11.
  • Amini, Shahram, et al. (författare)
  • On the Stability of Mg Nanograins to Coarsening after Repeated Melting
  • 2009
  • Ingår i: NANO LETTERS. - : American Chemical Society (ACS). - 1530-6984 .- 1530-6992. ; 9:8, s. 3082-3086
  • Tidskriftsartikel (refereegranskat)abstract
    • Herein we report on the extraordinary thermal stability of similar to 35 nm Mg-nanograins that constitute the matrix of a Ti2AlC-Mg composite that has previously been shown to have excellent mechanical properties. The microstructure is so stable that heating the composite three times to 700 degrees C, which is 50 degrees C over the melting point of Mg, not only resulted in the repeated melting of the Mg, but surprisingly and within the resolution of our differential scanning calorimeter, did not lead to any coarsening. The reduction in the Mg melting point due to the nanograins was similar to 50 degrees C. X-ray diffraction and neutron spectroscopy results suggest that thin, amorphous, and/or poorly crystallized rutile, anatase, and/or magnesia layers separate the Mg nanograins and prevent them from coarsening. Clearly that layer is thin enough, and thus mechanically robust enough, to survive the melting and solidification stresses encountered during cycling. Annealing in hydrogen at 250 degrees C for 20 h, also did not seem to alter the grain size significantly.
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12.
  • Antti, Marta-Lena, et al. (författare)
  • Synthesis and phase development in the Ct-Al-N system
  • 2009
  • Ingår i: Mechanical properties and processing of ceramic binary, ternary and composite systems. - Hoboken, NJ : John Wiley & Sons. - 9780470344927 ; , s. 3-12
  • Konferensbidrag (refereegranskat)abstract
    • The ternary nitride system Cr-Al-N has been investigated by sintering different powder compositions. The powder compositions belong to four groups, AIN- + Cr-powder (5 compositions between 20-90 molar% AlN), Al- + Cr 2N-powder (5 compositions between 15-80 molar% Cr2N), AlN-+ Cr2N-powder (50- and 90 molar% Cr2N) and Al- + Cr-powder. The powders were dry mixed and pressed into pellets by uniaxial pressing followed by cold isostatic pressing (ClP). Sintering took place in a graphite lined reaction bonding furnace under nitrogen atmosphere at three different temperatures, 1350°C, 1500°C and 1800°C and in an alumina tube furnace in order to avoid access to carbon. Holding times were varied, from 2 hours up to 72 hours. The phase development was evaluated by thermal analysis and XRD. CrAlN was formed at 1350°C but decomposed at higher temperatures. Both pure Al and Cr-powder were prone to react with carbon in the graphite furnace. Thermal analysis showed a sublimation of Cr2N at temperatures around 1050°C and nitridation of pure Al-powder between 680-750°C and of pure Cr-powder between 610-1080°C. Samples with pure Al-powder showed a very large expansion due to melting of aluminium in combination with nitridation. AIN was found to be more stable than Cr 2N at higher temperatures and longer holding times. The mixtures of Al-+Cr-powder produced an intermediate Al-Cr-phase.
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13.
  • Asp Grönhagen, Klara, et al. (författare)
  • Phase-field modelling of spinodal decomposition in TiAlN including the effect of metal vacancies
  • 2015
  • Ingår i: Scripta Materialia. - : Elsevier BV. - 1359-6462 .- 1872-8456. ; 95, s. 42-45
  • Tidskriftsartikel (refereegranskat)abstract
    • Using a CALPHAD approach together with a Cahn-Hilliard model, we describe the microstructure evolution in cubic Ti1-xAlxN including vacancies on the metal sublattice. Our results show that vacancy content has a pronounced effect on the decomposition kinetics. Furthermore, vacancies show a strong tendency to segregate to the coherent AlN-TiN interface regions. We illustrate how vacancies anneal to grain boundaries, and finally, we compare our prediction to experimental differential scanning calorimetry data and attribute the second peak in the thermogram to vacancy depletion.
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14.
  • Atakan, Aylin, et al. (författare)
  • Impact of the morphological and chemical properties of copper-zirconium-SBA-15 catalysts on the conversion and selectivity in carbon dioxide hydrogenation
  • 2019
  • Ingår i: Journal of Colloid and Interface Science. - : ACADEMIC PRESS INC ELSEVIER SCIENCE. - 0021-9797 .- 1095-7103. ; 546, s. 163-173
  • Tidskriftsartikel (refereegranskat)abstract
    • A hybrid catalyst consisting of Zr-doped mesoporous silica (Zr-SBA-15) supports with intergrown Cu nanoparticles was used to study the effects of a catalysts chemical states on CO2 hydrogenation. The chemical state of the catalyst was altered by using tetraethyl orthosilicate (TEOS) or sodium metasilicate (SMS) as the silica precursor in the synthesis of the Zr-SBA-15 framework, and infiltration (Inf) or evaporation induced wetness impregnation (EIWI) as the Cu loading method. As a result, the silica precursor mainly affects the activity of the catalyst whereas the Cu loading method alters the selectivity of the products. TEOS materials exhibit a higher catalytic activity compared to SMS materials due to different Zr dispersion and bonding to the silica matrix. EIWI catalysts display selectivity for methanol formation, while the Inf ones enable methanol conversion to DME. This is correlated to a higher Zr content and lower Cu oxidation states of EIWI prepared catalysts. (C) 2019 Elsevier Inc. All rights reserved.
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15.
  • Atakan, Aylin, 1984- (författare)
  • Mesoporous material systems for catalysis and drug delivery
  • 2018
  • Doktorsavhandling (övrigt vetenskapligt/konstnärligt)abstract
    • Hybrid material systems possess multi-functional properties which make them intriguing for the materials science community since very early dates. However, it is not straightforward to produce such material systems. A smart and efficient approach is necessary to extract the desired properties of each component under the desired conditions. This study evolved to its last form primarily around this notion, where the development of a hybrid material is the core of the work. This hybrid material is then further explored for two different applications in the catalysis and drug delivery fields.A nanoassembly was established around a mesoporous silica support. SBA-15 was picked as this support among the other mesoporous silica due to its well-defined pore structure and accessible pore volume. The silica framework was doped with Zr atoms and the pores were partly infiltrated with Cu nanoparticles resulting in a hybrid material with tunable properties. SBA-15 was synthesized by a sol-gel method where a micellar solution was employed as a template for the silica framework. To achieve the doped version, a Zr precursor was added to the synthesis solution. The effects of different synthesis conditions, such as the synthesis catalyst (F-or a Cl-salt) and the Si source (tetraethyl orthosilicate (TEOS) or sodium metasilicate (SMS)) on the characteristics of the final material were investigated. It was observed that these changes in the synthesis conditions yielded different particle morphology, pore size (11-15 nm), and specific surface area (400-700 m2/g). Cu nanoparticles (NPs) were grown in the (Zr-)SBA-15 support using infiltration (Inf) or evaporation induced wetness impregnation (EIWI) methods. The infiltration method is based on functionalizing the (Zr-)SBA-15 support surfaces before the Cu ion attachment whereas EIWI is based on slow evaporation of the liquid from the (Zr-)SBA-15 - Cu aqueous suspension. Both methods are designed to yield preferential growth of Cu NPs in the pores with a diameter smaller than 10 nm and in oxidized form. However, depending on the loading method used, different chemical states of the final material were achieved, i.e. Zr content and porous network properties are different. Cu-Zr-SBA-15 nanoassemblies produced under various synthesis conditions were used for the catalytic conversion of CO2into valuable fuels such as methanol and dimethyl ether (DME). The effect of different chemical states of the catalyst arising from variations in the synthesis parameters was investigated. It was found that the Si precursor (TEOS or SMS) had a considerable impact on the overall performance of the catalyst whereas the Cu loading method (Inf or EIWI) changed the catalytic selectivity between DME and methanol. The activity of the catalyst was further investigated in a time-evolution study where the accumulation of each product in the gas phase and the molecular groups attached to the catalyst surface were recorded over time. Accordingly, thermodynamic equilibrium was achieved on the 14th day of the reaction under 250°C and 33 bar. The resulting total CO2conversion was 24%, which is the thermodynamically highest possible conversion, according to theoretical calculations. It was also concluded from the experimental results that, DME is formed by a combination of two methoxy surface groups. Additionally, the formation of DME boosts the total CO2conversion to fuels, which otherwise is limited to 9.5%.The design of Cu-Zr-SBA-15 was also investigated for drug delivery applications, due to its potential as a biomaterial, e.g., a filler in dental composites, and the antibacterial properties of Cu. Also, the bioactivity of SiO2and ZrO2was considered to be an advantage. With this aim, Cu infiltrated Zr doped SBA-15 material was prepared by using TEOS as the silica precursor and the Inf-method to grow Cu NPs. The performance of the final material as a drug delivery vehicle was tested by an in-vitro delivery study with chlorhexidine digluconate.The nanoassemblies show a drug loading capacity of 25-40% [mg drug / mg (drug+carrier)]. The drug release was determined to be composed of two steps. First, a burst release of the drug molecules that are loosely held in the voids of the mesoporous carrier followed by the diffusion of the drug molecules that are attached to the carrier surface. The presence of Zr and Cu limits the burst release and beneficially slows down the drug release process. The effect of pore properties of SBA-15 was explored in a study where the antibiotic doxycycline hyclate was loaded in SBA-15 materials with different pore sizes. It was observed that the pore size is directly proportional to the drug loading capacity [mg drug / mg (drug+carrier)] and the released drug percentage (the released drug amount/total amount of loaded drug). The drug release was fast due to its weak interactions with the SBA-15 materials. In summary, this work demonstrates the multifunctional character of a smart-tailored nanoassembly which gives valuable insights for two distinct applications in catalysis and drug delivery.
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16.
  • Atakan, Aylin, et al. (författare)
  • Synthesis of a Cu-infiltrated Zr-doped SBA-15 catalyst for CO2 hydrogenation into methanol and dimethyl ethert
  • 2017
  • Ingår i: Physical Chemistry, Chemical Physics - PCCP. - : ROYAL SOC CHEMISTRY. - 1463-9076 .- 1463-9084. ; 19:29, s. 19139-19149
  • Tidskriftsartikel (refereegranskat)abstract
    • A catalytically active nanoassembly comprising Cu-nanoparticles grown on integrated and active supports (large pore Zr-doped mesoporous SBA-15 silica) has been synthesized and used to promote CO2 hydrogenation. The doped mesoporous material was synthesized using a sal-gel method, in which the pore size was tuned between 11 and 15 nm while maintaining a specific surface area of about 700 m(2) g (1). The subsequent Cu nanoparticle growth was achieved by an infiltration process involving attachment of different functional groups on the external and internal surfaces of the mesoporous structure such that 7-10 nm sized Cu nanoparticles grew preferentially inside the pores. Chemisorption showed improved absorption of both CO2 and H-2 for the assembly compared to pure SBA-15 and 15% of the total CO2 was converted to methanol and dimethyl ether at 250 degrees C and 33 bar.
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17.
  • Atakan, Aylin, et al. (författare)
  • Time evolution of the CO2 hydrogenation to fuels over Cu-Zr-SBA-15 catalysts
  • 2018
  • Ingår i: Journal of Catalysis. - : Elsevier BV. - 0021-9517 .- 1090-2694. ; 362, s. 55-64
  • Tidskriftsartikel (refereegranskat)abstract
    • Time evolution of catalytic CO2 hydrogenation to methanol and dimethyl ether (DME) has been investigated in a high-temperature high-pressure reaction chamber where products accumulate over time. The employed catalysts are based on a nano-assembly composed of Cu nanoparticles infiltrated into a Zr doped SiOx mesoporous framework (SBA-15): Cu-Zr-SBA-15. The CO2 conversion was recorded as a function of time by gas chromatography-mass spectrometry (GC-MS) and the molecular activity on the catalyst’s surface was examined by diffuse reflectance in-situ Fourier transform infrared spectroscopy (DRIFTS). The experimental results showed that after 14 days a CO2 conversion of 25% to methanol and DME was reached when a DME selective catalyst was used which was also illustrated by thermodynamic equilibrium calculations. With higher Zr content in the catalyst, greater selectivity for methanol and a total 9.5% conversion to methanol and DME was observed, yielding also CO as an additional product. The time evolution profiles indicated that DME is formed directly from methoxy groups in this reaction system. Both DME and methanol selective systems show the thermodynamically highest possible conversion.
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18.
  • Ballem, Mohamed Ali, et al. (författare)
  • Growth of Gd2O3 nanoparticles inside mesoporous silica frameworks
  • 2013
  • Ingår i: Microporous and Mesoporous Materials. - : Elsevier BV. - 1387-1811 .- 1873-3093. ; 168, s. 221-224
  • Tidskriftsartikel (refereegranskat)abstract
    • Gadolinium oxide (Gd2O3) nanoparticles with very small size and narrow size distribution were synthesized by infiltration of Gd(NO3)(3)center dot 6H(2)O as an oxide precursor into the pores of SBA-15 mesoporous silica using a wet-impregnation technique. High resolution transmission electron microscopy and X-ray diffraction show that during the hydrothermal treatment of the precursor at 550 degrees C, gadolinium oxide nanoparticles inside the silica pores are formed. Subsequent dissolution of the silica framework in aqueous NaOH resulted in well dispersed nanoparticles with an average diameter of 3.6 +/- 0.9 nm. If GdCl3 center dot 6H(2)O is used as precursor, GdOCl is formed instead of Gd2O3. The Gd2O3 nanoparticles showed a weak antiferromagnetic behavior, as expected.
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19.
  • Ballem, Mohamed A., et al. (författare)
  • Influence of synthesis temperature on morphology of SBA-16 mesoporous materials with a three-dimensional pore system
  • 2010
  • Ingår i: Microporous and Mesoporous Materials. - : Elsevier BV. - 1387-1811 .- 1873-3093. ; 129, s. 106-111
  • Tidskriftsartikel (refereegranskat)abstract
    • Spherical particles of mesoporous silica SBA-16 with cubic Im3m structure were synthesized at low pH using Pluronic F127 as template and TEOS as silica source. The diameter of the spherical particles can be controlled in the range of 0.5–8 μm by varying synthesis temperature from 1 °C up to 40 °C. A sharp transition from large particle sizes at approximately 20 °C to smaller ones is observed when the temperature is increased. It is suggested that this morphology transition is due to a change in hydrolysis and condensation rate of the silica source and as a result the assembly of F127 micelles will differ. The SBA-16 samples were characterized using powder X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and nitrogen adsorption techniques.
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20.
  • Ballem, Mohamed A., et al. (författare)
  • Low Temperature Nanocasting of Ultrafine Hematite Nanoparticles using Mesoporous Silica Molds
  • 2012
  • Ingår i: Powder Technology. - : Elsevier. - 0032-5910 .- 1873-328X. ; 217, s. 269-273
  • Tidskriftsartikel (refereegranskat)abstract
    • Iron oxide (α-Fe2O3) nanoparticles with very small size, high crystallinity, and narrow size distribution were synthesized by infiltration of Fe(NO3)3.9H2O as an oxide precursor into mesoporous silica (SBA-15 and SBA-16) molds using a wetimpregnation technique. High resolution transmission electron microscopy shows that during the hydrothermal treatment of the precursor at 140 °C for 2 days, stable α-Fe2O3 nanoparticles inside the silica pores are formed. Subsequent leaching out of the silica template by NaOH resulted in well dispersed nanoparticles with an average diameter of ~ 4 nm.
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21.
  • Ballem, Mohamed A., et al. (författare)
  • Mesoporous silica templated zirconia nanoparticles
  • 2011
  • Ingår i: Journal of nanoparticle research. - : SpringerLink. - 1388-0764 .- 1572-896X. ; 13:7, s. 2743-2748
  • Tidskriftsartikel (refereegranskat)abstract
    • Nanoparticles of zirconium oxide (ZrO2)were synthesized by infiltration of a zirconia precursor(ZrOCl28H2O) into a SBA-15 mesoporous silicamold using a wet-impregnation technique. X-raydiffractometry and high-resolution transmission electronmicroscopy show formation of stable ZrO2nanoparticles inside the silica pores after a thermaltreatment at 550 C. Subsequent leaching out of thesilica template by NaOH resulted in well-dispersedZrO2 nanoparticles with an average diameter of*4 nm. The formed single crystal nanoparticles arefaceted with 110 surfaces termination suggesting it tobe the preferred growth orientation. A growth modelof these nanoparticles is also suggested.
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22.
  • Ballem, Mohamed A. (författare)
  • Synthesis of Mesoporous Silica and their Use as Templates for Metal and Metal Oxide Nanoparticles
  • 2011
  • Doktorsavhandling (övrigt vetenskapligt/konstnärligt)abstract
    • This thesis covers the synthesis and characterization of two types of mesoporous silica, SBA-15 silica with two-dimensional hexagonal arrangement, and SBA-16 silica with three-dimensional cubic arrangement. The obtained mesoporous materials were then used as hard templates for synthesizing of different types of nanostructures. In the first part, the effects of some synthesis parameters on the morphology and texture properties of the mesoporous silica have been studied. By varying the synthesis temperature solid spheres of SBA-16 with different sizes were synthesized and by additions of heptane as a swelling agent, SBA-16 in a hollow-sphere morphology with a large pore size was obtained. In the case of SBA-15, dispersed rods were synthesized in the presence of heptane and NH4F in a low-temperature synthesis. The length of the rods was varied by changing the concentration of HCl, and the pore size was tuned by changing the hydrothermal treatment time and temperature. Furthermore, the reaction time was decreased with a well-retained pore size and morphology. This work has resulted in SBA-15 rods with large pore sizes for this morphology. In the second part, SBA-15 and SBA-16 silica were used to synthesize different nanostructured materials such as metal and metal oxide nanoparticles. In fact, most of the work in this part is focused on the use of mesoporous silica as hard templates for synthesis of different types of nanoparticles. The synthesis of these nanoparticles was carried out by infiltration of a suitable precursor in the pores of the silica template. The mesoporous frameworks act as molds controlling the size and the final shape of the formed nanostructures. Subsequent dissolution of the silica templates by NaOH resulted in e.g., monodispersed zirconia, hematite, and cobalt nanoparticles with narrow size distributions. Functionalization of the SBA-15 surfaces was carried out in the synthesis of cobalt nanoparticles. This functionalization plays a crucial role on the infiltration and reaction of the reagents in the pores of the silica. By functionalization of the external surface, a highly hydrophobic surface was achieved, which proved to be sufficient to avoid formation of large cobalt particles outside the silica channels, while the internal functionalization enhances the attraction of cobalt ions to the silica pores, and as a result the nanoparticles grew inside these pores.
  •  
23.
  • Ballem, Mohamed, et al. (författare)
  • Synthesis of hollow silica spheres SBA-16 with large-pore diameter
  • 2011
  • Ingår i: Materials letters (General ed.). - : Elsevier Science B.V., Amsterdam.. - 0167-577X .- 1873-4979. ; 65:7, s. 1066-1068
  • Tidskriftsartikel (refereegranskat)abstract
    • Hollow silica SBA-16 spheres with cubic ordered mesoporous shells were synthesized by an emulsion-templating method, using Pluronic F127 as a structure-directing agent. tetraethyl orthosilicateas as a silica source and heptane as a cosolvent in the presence of NH4F. The size of these spheres is in the range of 10 to 30 mu m. The shell is about 700 nm thick and consists of large pores, similar to 9 nm in diameter, arranged in a cubic order. After calcination, the spheres maintain their mesoporosity and show a high surface area of 822 m(2)/g. The formation mechanism of the silica hollow spheres is discussed.
  •  
24.
  • Barrirero, Jenifer, et al. (författare)
  • Cluster formation at the Si/liquid interface in Sr and Na modified Al-Si alloys
  • 2016
  • Ingår i: Scripta Materialia. - : PERGAMON-ELSEVIER SCIENCE LTD. - 1359-6462 .- 1872-8456. ; 117, s. 16-19
  • Tidskriftsartikel (refereegranskat)abstract
    • Atom probe tomography was used to compare Na and Sr modified Al-Si hypoeutectic alloys. Both Na and Sr promote the formation of nanometre-sized clusters in the Si eutectic phase. Compositional analyses of the clusters show an Al:Sr ratio of 2.92 +/- 0.46 and an Al:Na ratio of 1.07 +/- 0.23. It is proposed that SrAl2Si2 and NaAlSi clusters are formed at the Si/liquid interface and take part in the modification process by altering the eutectic Si growth.
  •  
25.
  • Barrirero, Jenifer, et al. (författare)
  • Comparison of segregations formed in unmodified and Sr-modified Al-Si alloys studied by atom probe tomography and transmission electron microscopy
  • 2014
  • Ingår i: Journal of Alloys and Compounds. - : Elsevier. - 0925-8388 .- 1873-4669. ; 611, s. 410-421
  • Tidskriftsartikel (refereegranskat)abstract
    • The mechanical properties of Al-7 wt.% Si can be enhanced by structural modifications of its eutectic phase. Addition of low concentrations of certain elements, in this case 150 wt-ppm Sr, is enough to cause a transition from a coarse plate-like Si structure to a finer coralline one. To fully understand the operating mechanism of this modification, the composition of the eutectic Si phase in unmodified and Sr-modified alloys was analysed and compared by atom probe tomography and (scanning) transmission electron microscopy. The unmodified alloy showed nanometre sized Al-segregations decorating defects, while the Sr-modified sample presented three types of Al-Sr segregations: (1) rod-like segregations that promote smoothening of the Al-Si boundaries in the eutectic phase, (2) particle-like segregations comparable to the ones seen in the unmodified alloy, and (3) planar segregations favouring the formation of twin boundaries. Al and Sr solubilities in Si after solidification were determined to be 430 +/- 160 at-ppm and 40 +/- 10 at-ppm, respectively. Sr predominantly segregates to the Si phase confirming its importance in the modification of the eutectic growth.
  •  
26.
  • Barrirero, Jenifer, et al. (författare)
  • Eutectic modification by ternary compound cluster formation in Al-Si alloys
  • 2019
  • Ingår i: Scientific Reports. - : NATURE PUBLISHING GROUP. - 2045-2322. ; 9
  • Tidskriftsartikel (refereegranskat)abstract
    • Al-alloys with Si as the main alloying element constitute the vast majority of Al castings used commercially today. The eutectic Si microstructure in these alloys can be modified from plate-like to coral-like by the addition of a small amount of a third element to improve ductility and toughness. In this investigation the effects of Eu and Yb are studied and their influence on the microstructure is compared to further understand this modification. The two elements impact the alloy differently, where Eu modifies Si into a coral-like structure while Yb does not. Atom probe tomography shows that Eu is present within the Si phase in the form of ternary compound Al2Si2Eu clusters, while Yb is absent in the Si phase. This indicates that the presence of ternary compound clusters within Si is a necessary condition for the formation of a coral-like structure. A crystallographic orientation relationship between Si and the Al2Si2Eu phase was found, where the following plane normals are parallel: 011(Si) //0001(Al2Si2Eu), 111(Si)//6 (7) over bar 10(Al2Si2Eu) and 011(Si)//6 (7) over bar 10(Al2Si2Eu). No crystallographic relationship was found between Si and Al2Si2Yb. The heterogeneous formation of coherent Al2Si2Eu clusters inside the Si-phase is suggested to trigger the modification of the microstructure.
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27.
  • Barrirero, Jenifer, 1981- (författare)
  • Eutectic Modification of Al-Si casting alloys
  • 2019
  • Doktorsavhandling (övrigt vetenskapligt/konstnärligt)abstract
    • Aluminum alloys with silicon as the major alloying element are the most widely used aluminum casting alloys. The eutectic phase in these alloys is formed by hard and brittle silicon plates in an aluminum matrix. Such silicon plates can act as crack propagation paths deteriorating the toughness of the material. To enhance ductility, silicon can be modified to a coral-like microstructure by addition of a modifying agent. Amongst the elements proposed as modifiers, only strontium, sodium and europium induce a plate-tocoral transition, while others such as ytterbium, only refine the silicon plates. The exact mechanism for the remarkable plate-to-coral change, and the reason why certain elements only refine the structure, is still not completely understood.In this investigation, atom probe tomography and transmission electron microscopy were used to analyze and compare the crystal structure and the distribution of solute atoms in silicon at the atomic level. An unmodified alloy and alloys modified by strontium, sodium, europium and ytterbium were studied. Elements inducing silicon plate-to-coral transition were found to contain nanometer sized clusters at the defects in silicon with stoichiometries corresponding to compounds formed at the ternary eutectic reaction of each system. In contrast, the addition of ytterbium, that only refines the silicon plates, is unable to form clusters in silicon. We propose that the formation of ternary compound clusters AlSiNa, Al2Si2Sr and Al2Si2Eu at the silicon / liquid interface during solidification restrict silicon growth. The formation of clusters on silicon facets create growth steps and increase growth direction diversity. The incorporation of clusters in silicon explains the high density of crystallographic defects and the structural modification from plates to corals.The parallel lattice plane-normals 011Si // 0001Al2Si2Eu, 011Si // 610Al2Si2Eu and 111Si // 610Al2Si2Eu were found between Al2Si2Eu and silicon, and absent between Al2Si2Yb and silicon. We propose a favorable heterogeneous formation of Al2Si2Eu on silicon. The misfit between 011Si and 0002Al2Si2X interplanar spacings shows a consistent trend with the potency of modification for several elements such as strontium, sodium, europium, calcium, barium, ytterbium and yttrium.
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28.
  • Barrirero, J., et al. (författare)
  • Phase Selective Sample Preparation of Al-Si alloys for Atom Probe Tomography
  • 2019
  • Ingår i: Praktische metallographie. - : CARL HANSER VERLAG. - 0032-678X .- 2195-8599. ; 56:2, s. 76-90
  • Tidskriftsartikel (refereegranskat)abstract
    • We present how the conventional focused ion beam (FIB) lift-out method can be modified to obtain phase selective specimens for atom probe tomography (APT). The modified method combines selective deep etching with site-specific lift-out using a micromanipulator in a FIB/SEM workstation. This method is used for phase-selective sample preparation in alloys with complex microstructures such as the coral- and plate-like silicon structures in the eutectic phase of Al-Si castings. The method proves to be both, practical and robust, with a high success rate of high-quality phase-specific APT specimens.
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29.
  • Bergh, Ingrid, 1956, et al. (författare)
  • Descriptions of pain in elderly patients following orthopaedic surgery.
  • 2005
  • Ingår i: Scandinavian journal of caring sciences. - : Wiley. - 0283-9318 .- 1471-6712. ; 19:2, s. 110-8
  • Tidskriftsartikel (refereegranskat)abstract
    • The aims of this study were to investigate what words elderly patients, who had undergone hip surgery, used to describe their experience of pain in spoken language and to compare these words with those used in the Short-Form McGill Pain Questionnaire (SF-MPQ) and Pain-O-Meter (POM). The study was carried out at two orthopaedic and two geriatric clinical departments at a large university hospital in Sweden. Altogether, 60 patients (mean age =77) who had undergone orthopaedic surgery took part in the study. A face-to-face interview was conducted with each patient on the second day after the operation. This was divided into two parts, one tape-recorded and semi-structured in character and one structured interview. The results show that a majority of the elderly patients who participated in this study verbally stated pain and spontaneously used a majority of the words found in the SF-MPQ and in the POM. The patients also used a number of additional words not found in the SF-MPQ or the POM. Among those patients who did not use any of the words in the SF-MPQ and the POM, the use of the three additional words 'stel' (stiff), 'hemsk' (awful) and 'rad(d)(sla)' (afraid/fear) were especially marked. The patients also combined the words with a negation to describe what pain was not. To achieve a more balanced and nuanced description of the patient's pain and to make it easier for the patients to talk about their pain, there is a need for access to a set of predefined words that describe pain from a more multidimensional perspective than just intensity. If the elderly patient is allowed, and finds it necessary, to use his/her own words to describe what pain is but also to describe what pain is not, by combining the words with a negation, then the risk of the patient being forced to choose words that do not fully correspond to their pain can be reduced. If so, pain scales such as the SF-MPQ and the POM can create a communicative bridge between the elderly patient and health care professionals in the pain evaluation process.
  •  
30.
  • Björk, Emma, et al. (författare)
  • A shelf-life study of silica- and carbon-based mesoporous materials
  • 2021
  • Ingår i: Journal of Industrial and Engineering Chemistry. - : Elsevier Science INC. - 1226-086X .- 1876-794X. ; 101, s. 205-213
  • Tidskriftsartikel (refereegranskat)abstract
    • Mesoporous silica- and carbon-based materials, including bioactive glasses, have proven potential as components of medical devices and as drug carriers. From an application perspective, knowledge about the shelf-life stability of these materials under various conditions is vital. Here, mesoporous bioactive glasses (MBGs) synthesized by aerosol-assisted spray-drying and by a batch sol-gel method, mesoporous silicas of SBA-15 type, and mesoporous carbons CMK-1 and CMK-3 have been stored under varying conditions, e.g. at different temperature and relative humidity (RH), and in different storage vessels. The results show that the silica-based materials stored in Eppendorfs are sensitive to humidity. Spray dried MBGs decompose within 1 month at a RH >5%, whilst sol-gel MBGs are more stable up to a RH >60%. Changing the storage vessel to sealed glass flasks increases the MBGs lifetime significantly, with no degradation during 2 months of storage at a RH = 75%. SBA-15 stored in Eppendorfs are more stable compared to MBGs, and addition of F- ions added during the synthesis affects the material degradation rate. Mesoporous carbons are stable under all conditions for all time points. This systematic study clearly demonstrates the importance of storage conditions for mesoporous materials which is crucial knowledge for commercialization of these materials. (C) 2021 The Author(s). Published by Elsevier B.V. on behalf of The Korean Society of Industrial and Engineering Chemistry.
  •  
31.
  • Björk, Emma, et al. (författare)
  • Formation of block-copolymer-templated mesoporous silica
  • 2018
  • Ingår i: Journal of Colloid and Interface Science. - : ACADEMIC PRESS INC ELSEVIER SCIENCE. - 0021-9797 .- 1095-7103. ; 521, s. 183-189
  • Tidskriftsartikel (refereegranskat)abstract
    • In situ attenuated total reflectance Fourier transform infrared spectroscopy is used to monitor the chemical evolution of the mesoporous silica SBA-15 from hydrolysis of the silica precursor to final silica condensation after the particle formation. Two silica precursors, tetraethyl orthosilicate (TEOS) or sodium metasilicate (SMS) were used, and the effects of additive (heptane and NH4F) concentrations were studied. Five formation stages are identified when TEOS is used as the precursor. The fourth stage correlates with the appearance and evolution of diffraction peaks recorded using in situ small angle X-ray diffraction. Details of the formed silica matrix are observed, e.g. the ratio between six-fold cyclic silica rings and linear bonding increases with the NH4F concentration. The TEOS hydrolysis time is independent of the NH4F concentration for small amounts of heptane, but is affected by the size of the emulsion droplets when the heptane amount increases. Polymerization and condensation rates of both silica precursors are affected by the salt concentration. Materials synthesized using SMS form significantly faster compared to TEOS-materials due to the pre-hydrolysis of the precursor. The study provides detailed insights into how the composition of the synthesis solution affects the chemical evolution and micellar aggregation during formation of mesoporous silica. (C) 2018 Elsevier Inc. All rights reserved.
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32.
  • Björk, Emma M., et al. (författare)
  • Grafting mesoporous silica particles to substrates : a method for synthesizing mesoporous films with cylindrical pores perpendicular to the substrate
  • 2013
  • Annan publikation (övrigt vetenskapligt/konstnärligt)abstract
    • A method for synthesizing mesoporous silica films with cylindrical pores perpendicular to the substrate has been developed. The films consist of SBA-15 platelets that are grafted on glass substrates. The grafting is studied in terms of parameters such as pH, substrate functionalization, salt additions, time for TEOS prehydrolysis, and calcination. The best coverage of particles on the substrate was achieved for a low pH in combination with OTS-treated glass substrate. Furthermore, the prehydrolysis time of the TEOS was found to be a key parameter in order to bind the particles to the substrate. These porous films have potential in applications such as catalysis, drug delivery, and as a template for nanoparticle or nanorod, growth.
  •  
33.
  • Björk, Emma M., et al. (författare)
  • Single-pot synthesis of ordered mesoporous silica films with unique controllable morphology
  • 2014
  • Ingår i: Journal of Colloid and Interface Science. - : Elsevier. - 0021-9797 .- 1095-7103. ; 413, s. 1-7
  • Tidskriftsartikel (refereegranskat)abstract
    • Mesoporous silica films consisting of a monolayer of separated SBA-15 particles with unusually wide and short pores grown on silicon wafers have been fabricated in a simple single-pot-synthesis, and the formation of the films has been studied. A recipe for synthesizing mesoporous silica rods with the addition of heptane and NH4F at low temperature was used and substrates were added to the synthesis solution during the reaction. The films are ∼90 nm thick, have a pore size of 10.7–13.9 nm depending on the hydrothermal treatment time and temperature, and a pore length of 200–400 nm. All pores are parallel to the substrate, open, and easy to access, making them suitable for applications such as catalyst hosts and gas separation. The growth of the films is closely correlated to the evolution of the mesoporous silica particles. Here, we have studied the time for adding substrates to the synthesis solution, the evolution of the films with time during formation, and the effect of hydrothermal treatment. It was found that the substrates should be added within 30–60 s after turning off the stirring and the films are formed within 10 min after addition to the synthesis solution. The study has yielded a new route for synthesizing mesoporous silica films with a unique morphology.
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34.
  • Björk, Emma M., et al. (författare)
  • Tuning the shape of mesoporous silica particles by alterations in parameter space : from rods to platelets
  • 2013
  • Ingår i: Langmuir. - : American Chemical Society (ACS). - 0743-7463 .- 1520-5827. ; 29:44, s. 13551-13561
  • Tidskriftsartikel (refereegranskat)abstract
    • The knowledge of how to control the pore size and morphology of separated mesoporous silica particles is crucial for optimizing their performance in applications, such as molecular sieves and drug delivery systems. In this work, we have systematically studied the effects of various synthesis parameters to gain a deeper understanding of how particle morphologies can be altered. It was found that the morphology for isolated particles of SBA-15 type, with unusually short and wide pores, could be altered from rods to platelets by variations in the NH4F concentration. The pore length is nearly constant (similar to 300 nm) for the different morphologies, but the particle width is increasing from 200 nm to >3 mu m when decreasing the amount of NH4F, and the pore size can be tuned between 10 and 13 nm. Furthermore, other synthesis parameters such as heptane concentration, pH, silica precursor, and additions of ions have also been studied. The trend regarding particle width is independent of heptane concentration, at the same time as heptane increases the particle length up to a plateau value of similar to 500 nm. In all, parameters controlling particle width, length, and pore size have been separated in order to evaluate their function in the particle formation. Additionally, it was found that the formation time of the particles is strongly affected by the fluoride ion concentration, and a mechanism for particle formation for this system, where micelles transform from a foam, to multilamellar vesicles, and finally to cylindrical micelles, is suggested.
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35.
  • Björk, Emma, et al. (författare)
  • Mesoporous silica and carbon based catalysts for esterification and biodiesel fabrication-The effect of matrix surface composition and porosity
  • 2017
  • Ingår i: Applied Catalysis A. - : ELSEVIER SCIENCE BV. - 0926-860X .- 1873-3875. ; 533, s. 49-58
  • Tidskriftsartikel (refereegranskat)abstract
    • The effects of catalyst matrix porosity composition on the catalytic performance have been studied using sulfonated mesoporous SBA-15 silica. The matrix was sulfonated with three different methods grafting, in situ oxidation, and carbon infiltration. Additionally, unordered sulfonated mesoporous carbon, and the commercial catalysts Amberlite IR-120 and Nafion 117 were tested. The catalytic performance was evaluated in a Fischer esterification using acetic acid and ethanol, as well as in a transesterification of triglycerides (sunflower oil) and ethanol to produce biodiesel. The study shows that for long carbon chains, the effective wetting of the porous catalyst matrix by the reactants is most important for the catalytic efficiency, while for shorter carbon chain, the mass transport of the reagents trough the porous structure is more important. The catalysts were analysed using electron microscopy and physisorption. The study shows that the reactions are faster with carbon infiltrated materials than the silica materials due to a higher concentration of sulfonic groups linked to the carbon. The in situ functionalized SBA-15 is a more efficient catalyst compared to the post grafted one. All the synthesized catalysts outperform the commercial ones in both reactions in terms of conversion. (C) 2017 Elsevier B.V. All rights reserved.
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36.
  • Bock, Florian, 1994- (författare)
  • Combining ab‐initio and machine learning techniques for theoretical simulations of hard nitrides at extreme conditions
  • 2024
  • Doktorsavhandling (övrigt vetenskapligt/konstnärligt)abstract
    • In this thesis I focus on combining the high accuracy of first-principles calculations with modern machine learning methods to make large scale investigations of industrially relevant nitride systems reliable and computationally viable. I study the electronic, thermodynamic and mechanical properties of two families of compounds: Ti1−xAlxN alloys at the operational conditions of industrial cutting tools and ReNx systems at crushing pres-sures comparable to inner earth core conditions. Standard first-principles simulations of materials are usually carried out at zero temperature and pressure, and while many state-of-the-art approaches can take these effects into account, they are usually accompanied by a substantial increase in computational demand. In this thesis I therefore explore the possiblities of studying materials at extreme conditions using machine learning methods with extraordinary efficiency without loss of calculational accuracy. Ti1−xAlxN alloy coatings exhibit exceptional properties due to their inherent ability to spinodally decompose at elevated temperature, leading to age-hardening. Since the cubic B1 phase of Ti1−xAlxN is well-studied, available high-accuracy first-principles data served as both a benchmark and data set on which to train a machine learning interatomic potential. Using the reliable moment tensor potentials, an investigation of the accuracy and efficiency of this approach was carried out in a machine learning study. Building upon the success of this technique, implementation of a learning-on-the-fly (active learning) methodology into a workflow to determine accurate material properties with minimal prior knowledge showed great promise, while maintaining a computational demand up to two orders of magnitude lower than comparable first-principles approaches. Investigations of properties of industrially lesser desired, but sometimes present hexagonal alloy phases of Ti1−xAlxN are also included in this thesis, since knowledge and understanding of all competing phases can help guide development toward improving cutting tool lifetime and performance. Furthermore, while w-Ti1−xAlxN may not be able to compete with its cubic counterpart in terms of hardness, it shows promise for other applications due to its electronic and elastic properties. Metastable ReNx phases are high energy materials due to their covalent N-N and Re-N bonds, leading to exceptional mechanical and electronic properties. Just like diamond, the hardest and arguably most famous metastable mate-rial naturally occurring on earth, they are stabilized by extreme pressures and high temperatures, but can be quenched to ambient conditions. Understanding the formation and existence of these non-equilibrium compounds may hold the key to unlocking a new generation of hard materials. In this thesis, all currently known phases of ReNx compounds have been investigated, encompassing both experimentally observed and theoretically suggested structures. Investigations of the convex hulls across a broad pressure range were carried out, coupled with calculations of phonons in the proposed crystals to determine both energetic and dynamical stability. Overall, the studies included in this thesis focused mainly on investigation of the ground state of ReN2 at higher pressure, where experimental results were deviating from earlier theoretical predictions. Additional research focused on specifically exploring properties and stability of novel ReN6 at synthesis conditions using the active learning workflow to train an interatomic potential. 
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37.
  • Boyd, Robert, et al. (författare)
  • Complex 3D nanocoral like structures formed by copper nanoparticle aggregation on nanostructured zinc oxide rods
  • 2016
  • Ingår i: Materials letters (General ed.). - : ELSEVIER SCIENCE BV. - 0167-577X .- 1873-4979. ; 184, s. 127-130
  • Tidskriftsartikel (refereegranskat)abstract
    • This paper reports a new strategy for nanoparticle surface assembly so that they form anisotropic fibril like features, consisting of particles directly attached to each other, which can extend 500 nm from the surface. The particles are both formed and deposited in a single step process enabled via the use of a pulsed plasma based technique. Using this approach, we have successfully modified zinc oxide rods, up to several hundred nanometers in diameter, with 25 nm diameter copper nanoparticles for catalytic applications. The resulting structure could be modelled using a diffusion limited aggregation based approach. This gives the material the appearance of marine coral, hence the term nanocoral. (C) 2016 Elsevier B.V. All rights reserved.
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38.
  • Broering Chaar, Ana Beatriz, et al. (författare)
  • Microstructural influence of the thermal behavior of arc deposited TiAlN coatings with high aluminum content
  • 2021
  • Ingår i: Journal of Alloys and Compounds. - : Elsevier BV. - 0925-8388 .- 1873-4669. ; 854
  • Tidskriftsartikel (refereegranskat)abstract
    • The influence of the microstructure on the thermal behavior of cathodic arc deposited TiAlN coatings was studied as a function of isothermal annealing. Two compositionally similar but structurally different coatings were compared, a Ti0·34Al0·66N0.96 coating with a fine-grain structure consisting of a mixture of cubic (c) and hexagonal (h) phases, and a Ti0·40Al0·60N0.94 coating with a coarse-grain structure of cubic phase. By in situ wide-angle synchrotron x-ray scattering, spinodal decomposition was confirmed in both coatings. The increased amount of internal interfaces lowered the decomposition temperature by 50 °C for the dual-phase coating. During the subsequent isothermal anneal at 1000 °C, a transformation from c-AlN to h-AlN took place in both coatings. After 50 min of isothermal annealing, atom probe tomography detected small amounts of Al (∼2 at.%) in the c-TiN rich domains and small amounts of Ti (∼1 at.%) in the h-AlN rich domains of the coarse-grained single-phase Ti0·40Al0·60N0.94 coating. Similarly, at the same conditions, the fine-grained dual-phase Ti0·34Al0·66N0.96 coating exhibits a higher Al content (∼5 at.%) in the c-TiN rich domains and higher Ti content (∼15 at.%) in the h-AlN rich domains. The study shows that the thermal stability of TiAlN is affected by the microstructure and that it can be used to tune the reaction pathway of decomposition favorably.
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39.
  • Broering Chaar, Ana Beatriz, 1990-, et al. (författare)
  • The Effect of Cathodic Arc Guiding Magnetic Field on the Growth of (Ti0.36Al0.64)N Coatings
  • 2019
  • Ingår i: Coatings. - : MDPI. - 2079-6412. ; 9:10
  • Tidskriftsartikel (refereegranskat)abstract
    • We use a modified cathodic arc deposition technique, including an electromagnetic coil that introduces a magnetic field in the vicinity of the source, to study its influence on the growth of (Ti0.36Al0.64)N coatings. By increasing the strength of the magnetic field produced by the coil, the cathode arc spots are steered toward the edge of the cathode, and the electrons are guided to an annular anode surrounding the cathode. As a result, the plasma density between the cathode and substrate decreased, which was observed as a lateral spread of the plasma plume, and a reduction of the deposition rate. Optical emission spectroscopy shows reduced intensities of all recorded plasma species when the magnetic field is increased due to a lower number of collisions resulting in excitation. We note a charge-to-mass ratio decrease of 12% when the magnetic field is increased, which is likely caused by a reduced degree of gas phase ionization, mainly through a decrease in N2 ionization. (Ti0.36Al0.64)N coatings grown at different plasma densities show considerable variations in grain size and phase composition. Two growth modes were identified, resulting in coatings with (i) a fine-grained glassy cubic and wurtzite phase mixture when deposited with a weak magnetic field, and (ii) a coarse-grained columnar cubic phase with a strong magnetic field. The latter conditions result in lower energy flux to the coating’s growth front, which suppresses surface diffusion and favors the formation of c-(Ti,Al)N solid solutions over phase segregated c-TiN and w-AlN.
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40.
  • Calamba, Katherine, et al. (författare)
  • Dislocation structure and microstrain evolution during spinodal decomposition of reactive magnetron sputtered heteroepixatial c-(Ti-0.37,Al-0.63)N/c-TiN films grown on MgO(001) and (111) substrates
  • 2019
  • Ingår i: Journal of Applied Physics. - : AMER INST PHYSICS. - 0021-8979 .- 1089-7550. ; 125:10
  • Tidskriftsartikel (refereegranskat)abstract
    • Heteroepitaxial c-(Ti-0.37,Al-0.63)N thin films were grown on MgO(001) and MgO(111) substrates using reactive magnetron sputtering. High resolution high-angle annular dark-field scanning transmission electron micrographs show coherency between the film and the substrate. In the as-deposited state, x-ray diffraction reciprocal space maps show a strained epitaxial film. Corresponding geometric phase analysis (GPA) deformation maps show a high stress in the film. At elevated temperature (900 degrees C), the films decompose to form iso-structural coherent c-Al- and c-TiN-rich domains, elongated along the elastically soft amp;lt;100amp;gt; directions. GPA analysis reveals that the c-TiN domains accommodate more dislocations than the c-AlN domains. This is because of the stronger directionality of the covalent bonds in c-AlN compared with c-TiN, making it more favorable for the dislocations to accumulate in c-TiN. The defect structure and strain generation in c-(Ti,Al)N during spinodal decomposition is affected by the chemical bonding state and elastic properties of the segregated domains.
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41.
  • Calamba, Katherine, et al. (författare)
  • Effect of nitrogen vacancies on the growth, dislocation structure, and decomposition of single crystal epitaxial (Ti1-xAlx)N-y thin films
  • 2021
  • Ingår i: Acta Materialia. - : Elsevier. - 1359-6454 .- 1873-2453. ; 203
  • Tidskriftsartikel (refereegranskat)abstract
    • The effect of varying nitrogen vacancies on the growth, microstructure, spinodal decomposition and hardness values of predominantly single crystal cubic phase c-(Ti1-xAlx)N-y films was investigated. Epitaxial c-(Ti1-xAlx)N-y films with y = 0.67, 0.79, and 0.92 were grown on MgO(001) and MgO(111) substrates by magnetron sputter deposition. High N vacancy c-(Ti1-xAlx)N-0.67 films deposited on MgO(111) contained coherently oriented w-(0001) structures while segregated conical structures were observed on the films grown on MgO(001). High resolution STEM images revealed that the N-deficient growth conditions induced segregation with small compositional fluctuations that increase with the number of N vacancies. Similarly, strain map analysis of the epitaxial c-(Ti1-xAlx)N-y (001) and (111) films show fluctuations in strain concentration that scales with the number of N vacancies and increases during annealing. The spinodal decomposition coarsening rate of the epitaxial c-(Ti1-xAlx)N-y films was observed to increase with decreasing N vacancies. Nanoindentation showed decreasing trends in hardness of the as-deposited films as the N vacancies increase. Isothermal post-anneal at 1100 degrees C in vacuum for 120 min revealed a continuation in the increase in hardness for the film with the largest number of N vacancies (y = 0.67) while the hardness decreased for the films with y = 0.79 and 0.92. These results suggest that nitrogen-deficient depositions of c-(Ti1-xAlx)N-y films help to promote a self-organized phase segregation, while higher N vacancies generally increase the coherency strain which delays the coarsening process and can influence the hardness at high temperatures.
  •  
42.
  • Calamba, Katherine, et al. (författare)
  • Enhanced thermal stability and mechanical properties of nitrogen deficient titanium aluminum nitride (Ti0.54Al0.46Ny) thin films by tuning the applied negative bias voltage
  • 2017
  • Ingår i: Journal of Applied Physics. - : American Institute of Physics (AIP). - 0021-8979 .- 1089-7550. ; 122:6
  • Tidskriftsartikel (refereegranskat)abstract
    • Aspects on the phase stability and mechanical properties of nitrogen deficient (Ti0.54Al0.46)N-y alloys were investigated. Solid solution alloys of (Ti,Al)N were grown by cathodic arc deposition. The kinetic energy of the impinging ions was altered by varying the substrate bias voltage from -30V to -80 V. Films deposited with a high bias value of -80V showed larger lattice parameter, finer columnar structure, and higher compressive residual stress resulting in higher hardness than films biased at -30V when comparing their as-deposited states. At elevated temperatures, the presence of nitrogen vacancies and point defects (anti-sites and self-interstitials generated by the ion-bombardment during coating deposition) in (Ti0.54Al0.46)N-0.87 influence the driving force for phase separation. Highly biased nitrogen deficient films have point defects with higher stability during annealing, which cause a delay of the release of the stored lattice strain energy and then accelerates the decomposition tendencies to thermodynamically stable c-TiN and w-AlN. Low biased nitrogen deficient films have retarded phase transformation to w-AlN, which results in the prolongment of age hardening effect up to 1100 degrees C, i.e., the highest reported temperature for Ti-Al-N material system. Our study points out the role of vacancies and point defects in engineering thin films with enhanced thermal stability and mechanical properties for high temperature hard coating applications. Published by AIP Publishing.
  •  
43.
  • Calamba, Katherine, et al. (författare)
  • Growth and high temperature decomposition of epitaxial metastable wurtzite (Ti1-x,Al-x)N(0001) thin films
  • 2019
  • Ingår i: Thin Solid Films. - : ELSEVIER SCIENCE SA. - 0040-6090 .- 1879-2731. ; 688
  • Tidskriftsartikel (refereegranskat)abstract
    • The structure, growth, and phase stability of (Ti1-x,Al-x)N films with high Al content were investigated. (Ti1-x,Al-x)N (x= 0.63 and 0.77) thin films were grown on MgO (111) substrates at 700 degrees C using a UHV DC magnetron sputtering system. The (Ti-0.37,Al-0.63)N film is a single crystal with a cubic NaCl (B1) structure while the (T-i0.23,Al-0.77)N film only shows epitaxial growth of the same cubic phase in the first few atomic layers. With increasing film thickness, epitaxial wurtzite (B4) forms. The thin cubic layer and the wurtzite film has an orientation relationship of c-(Ti-0.23,Al-0.77)N(111)[110]parallel to w-(Ti-0.23,Al-0.77)N(0001)[11 (2) over bar0]. Continued deposition results in a gradual break-down of the epitaxial growth. It is replaced by polycrystalline growth of wurtzite columns with a high degree of 0001 texture, separated by a Tienriched cubic phase. In the as-deposited state, c-(Ti-0.27,Al-0.63)N displays a homogeneous chemical distribution while the w-(Ti-0.23,Al-0.77)N has segregated to Al- and Ti-rich domains. Annealing at 900 degrees C resulted in the spinodal decomposition of the metastable c-(Ti-0.27,Al-0.63)N film and formation of coherent elongated c-AlN and cTi-N-rich domains with an average width of 4.5 +/- 0.2 nm while the width of the domains in the w-(Ti-0.23,Al-0.77)N film only marginally increases to 2.8 +/- 0.1 nm. The slower coarsening rate of the wurtzite structure compared to cubic is indicative of a higher thermal stability.
  •  
44.
  • Calamba, Katherine M., 1988- (författare)
  • Phase stability and defect structures in (Ti,Al)N hard coatings
  • 2019
  • Doktorsavhandling (övrigt vetenskapligt/konstnärligt)abstract
    • This study highlights the role of nitrogen vacancies and defect structures in engineering hard coatings with enhanced phase stability and mechanical properties for high temperature applications. Titanium aluminum nitride (Ti,Al)N based materials in the form of thin coatings has remained as an outstanding choice for protection of metal cutting tools due to its superior oxidation resistance and high-temperature wear resistance. High-temperature spinodal decomposition of metastable (Ti,Al)N into coherent c-TiN and c-AlN nm-sized domains results in high hardness at elevated temperatures. Even higher thermal input leads to transformation of c-AlN to w-AlN, which is detrimental to the mechanical properties of the coating. One mean to delay this transformation is to introduce nitrogen vacancies.In this thesis, I show that by combining a reduction of the overall N-content of the c-(Ti,Al)Ny (y < 1) coating with a low substrate bias voltage during cathodic arc deposition an even more pronounced delay of the c-AlN to w-AlN phase transformation is achieved. Under such condition, age hardening is retained until 1100 ˚C, which is the highest temperature reported for (Ti,Al)N films. During cutting operations, the wear mechanism of the cathodicarc-deposited c-(Ti0.52Al0.48)Ny with N-contents of y = 0.92, 0.87, and 0.75 films are influenced by the interplay of nitrogen vacancies, microstructure, and chemical reactions with the workpiece material. The y = 0.75 coating contains the highest number of macroparticles and has an inhomogeneous microstructure after machining, which lower its flank and crater wear resistance. Age hardening of the y = 0.92 sample causes its superior flank wear resistance while the dense structure of the y = 0.87 sample prevents chemical wear that results in excellent crater wear resistance.Heteroepitaxial c-(Ti1-x,Alx)Ny (y = 0.92, 0.79, and0.67) films were grown on MgO(001) and (111) substrates using magnetron putter deposition to examine the details of their defect structures during spinodal decomposition. At 900 ˚C, the films decompose to form coherent c-AlN- and c-TiN- rich domains with elongated shape along the elastically soft <001> direction. Deformation maps show that most strains occur near the interface of the segregated domains and inside the c-TiN domains. Dislocations favorably aggregate in c-TiN rather than c-AlN because the later has stronger directionality of covalent chemical bonds. At elevated temperature, the domain size of (001) and (111)- oriented c-(Ti,Al)Ny films increases with the nitrogen content. This indicates that there is a delay in coarsening due to the presence of more N vacancies in the film.The structural and functional properties (Ti1-x,Alx)Ny are also influenced by its Al content (x). TiN and (Ti1-x,Alx)Ny (y = 1, x = 0.63 and x = 0.77) thin films were grown on MgO(111) substrates using magnetron sputtering technique. Both TiN and Ti0.27Al0.63N films are single crystals with cubic structure. (Ti0.23,Al0.77)N film has epitaxial cubic structure only in the first few atomic layers then it transitions to an epitaxial wurtzite layer, with an orientation relationship of c-(Ti0.23,Al0.77)N(111)[1-10]ǀǀw-(Ti0.23,Al0.77)N(0001)[11-20]. The w-(Ti0.23,Al0.77)N shows phase separation of coherent nm-sized domains with varying chemical composition during growth. After annealing at high temperature, the domains in w-(Ti0.23,Al0.77)N have coarsened. The domains in w-(Ti0.23,Al0.77)N are smaller compared to the domains in c-(Ti0.27,Al0.63)N film that has undergone spinodal decomposition. The results that emerged from this thesis are of great importance in the cutting tool industry and also in the microelectronics industry, because the layers examined have properties that are well suited for diffusion barriers.
  •  
45.
  • Calamba, Katherine, et al. (författare)
  • The effect of nitrogen vacancies on initial wear in arc deposited (Ti-0.52,Ti- Al-0.48)N-y, (y < 1) coatings during machining
  • 2019
  • Ingår i: Surface & Coatings Technology. - : ELSEVIER SCIENCE SA. - 0257-8972 .- 1879-3347. ; 358, s. 452-460
  • Tidskriftsartikel (refereegranskat)abstract
    • Nitrogen deficient c-(Ti0.52Al0.48)Ny, y = 0.92, y = 0.87, and y = 0.75 coatings were prepared in different N-2/Ar discharges on WC-Co inserts by reactive cathodic arc deposition. The microstructure of the y = 0.92 coating show that spinodal decomposition has occurred resulting in the formation of coherent c-TiN- and c-AIN rich domains during cutting. The y = 0.87 and y = 0.75 coatings have exhibited a delay in decomposition due to the presence of nitrogen vacancies that lowers the free energy of the system. In the decomposed structure, grain boundaries and misfit dislocations enhance the diffusion of elements from the workpiece and the substrate (e.g. Fe, Cr, and Co) into the coatings and it becomes more susceptible to crater wear. The y = 0.87 sample displays the highest crater wear resistance because of its dense grain boundaries that prevent chemical wear. The y = 0.92 sample has the best flank wear resistance because the decomposition results in age hardening. The y = 0.75 sample contains the MAX-phase Ti(2)AIN after cutting. The chemical alteration within the y = 0.75 sample and its high amount of macroparticles cause its low wear resistance. The different microstructure evolution caused by different amount of N-vacancies result in distinctive interactions between chip and coating, which also causes difference in the initial wear mechanism of the (Ti,Al)/N-y coatings.
  •  
46.
  • Chen, Yu-Hsiang, et al. (författare)
  • Effects of decomposition route and microstructure on h-AlN formation rate in TiCrAlN alloys
  • 2017
  • Ingår i: Journal of Alloys and Compounds. - : ELSEVIER SCIENCE SA. - 0925-8388 .- 1873-4669. ; 691, s. 1024-1032
  • Tidskriftsartikel (refereegranskat)abstract
    • The phase evolution of cubic (c), solid solution TixCr-0.37Al1-0.37-x N alloys with x = 0.03 and 0.16, and the kinetics of the hexagonal (h)-AlN formation are studied via in situ wide angle x-ray scattering experiments during high temperature (1000-1150 degrees C) annealing. Spinodal decomposition was observed in Ti0.16Cr0.36Al0.48N while Ti0.03Cr0.38Al0.59N decomposes through nucleation and growth of h-AlN, c-TiN and c-CrAlN. h-AlN is formed from c-CrAlN domains in both cases and the formation rate of h-AlN depends on the stability of the c-CrAlN domains. In Ti0.16Cr0.36Al0.48N, the c-CrAlN domains are stabilized by crystallographic coherency with the surrounding c-TiCrN in a microstructure originating from spinodal decomposition. This results in lower formation rates of h-AlN for this composition. These differences are reflected in higher activation energy for h-AlN formation in Ti0.16Cr0.36Al0.48N compared to Ti0.03Cr0.38Al0.59N. It also points out different stabilities of the intermediate phase c-CrAlN during phase decomposition of TiCrAlN alloys. Additional contributions to the low activation energy for formation of h-AlN in Ti0.03Cr0.38Al0.59N stems from precipitation at grain boundaries. (C) 2016 Elsevier B.V. All rights reserved.
  •  
47.
  • Chen, Yu-Hsiang, et al. (författare)
  • Enhanced thermal stability and fracture toughness of TiAlN coatings by Cr, Nb and V-alloying
  • 2018
  • Ingår i: Surface & Coatings Technology. - : Elsevier. - 0257-8972 .- 1879-3347. ; 342, s. 85-93
  • Tidskriftsartikel (refereegranskat)abstract
    • The effect of metal alloying on mechanical properties including hardness and fracture toughness were investigated in three alloys, Ti 0.33Al0.50(Me) 0.17N (Me = Cr, Nb and V), and compared to Ti0.50Al0.50N, in the as-deposited state and after annealing. All studied alloys display similar as-deposited hardness while the hardness evolution during annealing is found to be connected to phase transformations, related to the alloy’s thermal stability. The most pronounced hardening was observed in Ti0.50Al0.50N, while all the coatings with additional metal elements sustain their hardness better and they are harder than Ti0.50Al0.50N after annealing at 1100 °C. Fracture toughness properties were extracted from scratch tests. In all tested conditions, as-deposited and annealed at 900 and 1100 °C, Ti0.33Al0.50Nb0.17N show the least surface and sub-surface damage when scratched despite the differences in decomposition behavior and h-AlN formation. Theoretically estimated ductility of phases existing in the coatings correlates well with their crack resistance. In summary, Ti0.33Al0.50Nb0.17N is the toughest alloy in both as-deposited and post-annealed states.
  •  
48.
  • Chen, Yu-Hsiang (författare)
  • Mechanical and thermal stability of hard nitride coatings
  • 2018
  • Doktorsavhandling (övrigt vetenskapligt/konstnärligt)abstract
    • Hard coating’s thermal stability is essential due to the high temperature environment of high-speed cutting applications, while the phase and microstructure evolution induced by exposing the coating to high temperature affects the mechanical properties. In this thesis, the mechanical stability of arc-evaporated, hard, transition metal nitride coatings annealed at high temperature is analyzed and related to the phase and microstructure evolution. In addition to hardness, fracture toughness is evaluated by surface and cross-sectional investigations by scanning/transmission electron microscopy of damage events following mechanical tests.The crack resistance of Ti1−xAlxN with a range of Al content (x = 0.23-0.82) was studied by contact fatigue tests, where the differences in the microstructure were found to play a major role. Superior mechanical properties were found in Ti0.63Al0.37N; in the as-deposited state as a result of a favorable grain size, and after annealing at 900o C due to the microstructure formed during spinodal decomposition.The mechanical and high-temperature properties of hard coatings can be enhanced by alloying or multi-layering. Within this work, quaternary Ti-Al-X-N (X = Cr, Nb and V) alloys were studied and superior toughness was found for TiAl(Nb)N in both the as-deposited and annealed (1100◦ C) states. The hexagonal (h)-AlN formation in cubic (c)-TixAl0.37Cr1−0.37−xN (x = 0.03 and 0.16) was analyzed by in-situ x-ray scattering during annealing. The energy for h-AlN formation was found to be dependent on the microstructure evolution during annealing, which varies with the coating composition.High Al content h-ZrAlN/c-TiN and h-ZrAlN/c-ZrN multilayers were investigated through scratch tests followed by focused ion-beam analysis of the crack propagation. A c-Ti(Zr)N phase forms in h-ZrAlN/c-TiN multilayers at high temperatures and that contributes to enhanced hardness and fracture toughness by keeping the semi-coherent sub-interfaces.Finally, an in-situ analysis of coatings by x-ray scattering during a turning process was carried out. It demonstrates the possibility of observation of stress evolution and thermal expansion of the coatings or the work piece material during machining. This experiment provides real-time information on the coating behavior during cutting.
  •  
49.
  • Chen, Yu-Hsiang, et al. (författare)
  • Thermal and mechanical stability of wurtzite-ZrA1N/cubic-TiN and wurtzite-ZrA1N/cubic-ZrN multilayers
  • 2017
  • Ingår i: Surface & Coatings Technology. - : ELSEVIER SCIENCE SA. - 0257-8972 .- 1879-3347. ; 324, s. 328-337
  • Tidskriftsartikel (refereegranskat)abstract
    • The phase stability and mechanical properties of wurtzite (w)-Zr(0.25)A1(0.75)N/cubic (c)-TiN and w-Zr(0.25)A1(0.75)N/c-ZrN multilayers grown by arc evaporation are studied. Coherent interfaces with an orientation relation of c-TiN (111)[1-10]IIw-ZrAlN (0001)[11-20] form between ZrA1N and TiN sublayers during growth of the w-ZrAIN/c-TiN multilayer. During annealing at 1100 degrees C a c-Ti(Zr)N phase forms at interfaces between ZrA1N and TiN, which reduces the lattice mismatch so that the coherency and the compressive strain are partially retained, resulting in an increased hardness (32 GPa) after annealing. For the w-ZrAIN/c-ZrN multilayer, there is no coherency between sublayers leading to strain relaxation during annealing causing the hardness to drop. The retained coherency between layers and the compressive strain in the w-ZrAIN/c-TiN multilayer results in superior fracture toughness compared to the w-ZrAIN/c-ZrN multilayer as revealed by cross-sectional investigations of damage events under scratch and indentation tests. (C) 2017 Elsevier B.V. All rights reserved.
  •  
50.
  • Cordoba Gallego, Jose Manuel, et al. (författare)
  • Growth and characterization of electroless deposited Cu films on carbon nanofibers
  • 2009
  • Ingår i: SURFACE and COATINGS TECHNOLOGY. - : Elsevier BV. - 0257-8972. ; 203:22, s. 3459-3464
  • Tidskriftsartikel (refereegranskat)abstract
    • Carbon nanofibers with two different microstructures, herringbone and platelet have been used as substrates to study the influence of electroless deposition parameters on the growth of Cu deposits. Flat glassy carbon and graphite powder substrates were also included in the study for comparison. Samples were analyzed by X-ray diffraction, scanning electron microscopy, transmission electron microscopy, FT-IR, and energy dispersive X-ray spectroscopy in terms of microstructure and chemical composition. The specific surface area was determined by sorption techniques. High quality copper films can be grown on carbon nanofibers at room temperature if carbon nanofibers pretreatment is properly adjusted. The optimized process is easily up scaled to larger batches of carbon nanofibers.
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