| 1. |
- Grechnev, G. E., et al.
(författare)
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Electronic structure and bulk properties of MB6 and MB12 borides
- 2008
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Ingår i: Low temperature physics (Woodbury, N.Y., Print). - : AIP Publishing. - 1063-777X .- 1090-6517. ; 34:11, s. 921-929
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Tidskriftsartikel (refereegranskat)abstract
- Ab initio band structure calculations are carried out for the higher borides MB6 and MB12. High-precision measurements of the elastic constants are performed for the compounds ZrB12, HoB12, ErB12, TmB12, LuB12, YB6 and LaB6 at low temperatures. The bulk properties of the borides are analyzed on the basis of the calculated equations of states and balanced crystal orbital overlap populations. Our calculations indicate that hexaborides with divalent metals, CaB6, SrB6, BaB6, and YbB6, are semiconductors with small energy gaps. The metallic MB6 hexaborides with trivalent M atoms are found to possess larger bulk moduli values. For dodecaborides the bulk moduli are found to be higher for MB12 with increased filling of the conduction band (ZrB12, HfB12, UB12) in comparison with M3+B12 compounds. The total energy calculations for different magnetic configurations in YbB12 point to the possibility of antiferromagnetic coupling between Yb3+ ions.
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| 2. |
- Wang, Yong, et al.
(författare)
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Non-metallic Inclusions in Different Ferroalloys and Their Effect on the Steel Quality : A Review
- 2021
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Ingår i: Metallurgical and materials transactions. B, process metallurgy and materials processing science. - : Springer Nature. - 1073-5615 .- 1543-1916. ; 52:5, s. 2892-2925
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Tidskriftsartikel (refereegranskat)abstract
- Ferroalloys have become increasingly important due to their indispensable role in steelmaking. In addition, the demand for improved steel qualities has increased considerably, which in turn highlights the quality of ferroalloys. This is due to the fact that the impurities in ferroalloys directly and significantly influence the quality of steel products. To gain a better understanding of the main trace elements and inclusions in ferroalloys (such as FeSi, FeMn, SiMn, FeTi, FeCr, FeMo, FeNb, FeV, FeB, some complex ferroalloys) and their behaviours in steel melt after the additions of these ferroalloys, information from a large number of previous results on this topic was extensively reviewed in this work. The applications of different ferroalloys and their production trends were discussed. In addition, the effects of some trace element impurities from ferroalloys on the inclusion characteristics in steel were also discussed. The possible harmful inclusions in different ferroalloys were identified. Overall, the results showed that the inclusions present in ferroalloys had the following influence on the final steel cleanliness: (1) MnO, MnS and MnO–SiO2–MnS inclusions from FeMn and SiMn alloys have a temporary influence on the steel quality; (2) the effect of large size SiO2 inclusions (up to 200 μm) in FeSi and FeMo alloys on the steel cleanliness is not fully understood. The effect of Al, Ca contents should be considered before the addition of FeSi alloys. In addition, Al2O3 inclusions and relatively high Al content are commonly found in FeTi, FeNb and FeV alloys due to their production process. This information should be paid more attention to when these ferroalloys are added to steel; (3) except for the existing inclusions in these alloys, the Ti-rich, Nb-rich, V-rich carbides and nitrides, which have important effects on the steel properties also should be studied further; and (4) specific alloys containing REM oxides, Cr–C–N, Cr–Mn–O, Al2O3, Al–Ti–O, TiS and Ti(C, N) have not been studied enough to enable a judgement on their influence on the steel cleanliness. Finally, some suggestions were given for further studies for the development of ferroalloy productions.
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| 3. |
- Dong, Zhihua, et al.
(författare)
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MnxCr0.3Fe0.5Co0.2Ni0.5Al0.3 high entropy alloys for magnetocaloric refrigeration near room temperature
- 2021
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Ingår i: Journal of Materials Science & Technology. - : Chinese Society of Metals. - 1005-0302. ; 79, s. 15-20
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Tidskriftsartikel (refereegranskat)abstract
- High entropy alloys (HEAs) based on transition metals display rich magnetic characteristics, however attempts on their application in energy efficient technologies remain scarce. Here, we explore the magnetocaloric application for a series of MnxCr0.3Fe0.5Co0.2Ni0.5Al0.3 (0.8 < x < 1.1) HEAs by integrated theoretical and experimental methods. Both theory and experiment indicate the designed HEAs have the Curie temperature close to room temperature and is tunable with Mn concentration. A non-monotonic evolution is observed for both the entropy change and the relative cooling power with changing Mn concentration. The underlying atomic mechanism is found to primarily emerge from the complex impact of Mn on magnetism. Advanced magnetocaloric properties can be achieved by tuning Mn concentration in combination with controlling structural phase stability for the designed HEAs.
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| 4. |
- Luo, Shuncun, et al.
(författare)
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Predicting phase formation in complex concentrated alloys from first-principles
- 2021
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Ingår i: Computational materials science. - : Elsevier B.V.. - 0927-0256 .- 1879-0801. ; 186
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Tidskriftsartikel (refereegranskat)abstract
- Using first-principles theory, a new phase-formation prediction model is developed. Results show that the newly developed model can well predict the phase stability between the face-centered cubic (FCC) and body-centered cubic (BCC) in complex concentrated alloys at finite temperatures. Also, the enthalpy of mixing is demonstrated to account for the enthalpy contribution to the free energy of mixing at lower temperatures. Only at higher temperatures does the configurational entropy dominate the free energy of mixing. Moreover, the high magnetic moment on the Fe-sites of BCC structure accounts for the FCC-to-BCC abnormal phase transition in AlCrCuFeNix alloys at high temperatures. Combined with experimental data, the typical AlxCrMnFeCoNi and AlxCrCuFeNi2 systems are adopted to verify the bidirectional predictability and validity of the model. Bain path calculations are also performed to support the predicted phase-formation rules at the ground state.
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| 5. |
- Alimadadi, Hossein, 1983, et al.
(författare)
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Corrosion properties of electrodeposited nanocrystalline and amorphous patterned Ni-W alloy
- 2009
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Ingår i: MATERIALS & DESIGN. - : Elsevier BV. - 0261-3069 .- 0264-1275 .- 1873-4197. ; 30:4, s. 1356-1361
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Tidskriftsartikel (refereegranskat)abstract
- Nickel-tungsten with satisfactory corrosion properties is a promising alloy to replace hard chromium. Relatively high adhesion between copper substrate and electrodeposited Ni-W alloy results in patterned morphology due to crack formation. In this work, corrosion resistance of patterned Ni-W alloys comprising 0-26 at.%.W were studied by potentiodynamic polarization and EIS in a medium containing Cl-. It is shown that corrosion resistance of single phase Ni-W is superior to amorphous and dual phase coated layers. It is also found that crack density is the dominant affecting factor on corrosion resistance of amorphous Ni-W alloys.
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| 6. |
- Eby, F. J., et al.
(författare)
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Influence of Solutionising Time on the Dendrite Morphology and Mechanical Behaviour of Al-Si-Mg-Ni Hypoeutectic Alloy
- 2021
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Ingår i: Silicon. - : Springer Nature. - 1876-990X .- 1876-9918.
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Tidskriftsartikel (refereegranskat)abstract
- The existing work deals with the development of Al-Si-Mg-Ni hypoeutectic alloys and to investigate the impact of solutionising time on their morphology and how these alloys behave mechanically. Al, Si, Mg, Ni of required weight percentages were melted into a clay graphite crucible and the mixture was poured into a permanent mould from which cast rods of ø32 mm ×156 mm in length were obtained. The cast rods were solutionised at 538 °C for 2, 4, 6, 8 and 10 h, respectively. Further, the alloys were then quenched into 30 °C water and subsequently aged at 155 °C for 12 h. It is perceived from the investigation that, as the solutionising time increases, a refinement in the grain of the developed alloy occurs and the hardness and tensile properties were seen increasing. Moreover, ductility was found to be low for the alloy solutionised at 10 h as compared to the LM25 alloy. The scanning electron images of the fractured surface revealed that the increase of solutionising time from 2 to 10 h led to a much smaller extent of the observance of dimples on the fractograph. Furthermore, the fractured surface of the alloy solutionised for 10 h depicted the presence of micro-voids, which confirms the ceasing of ductile behaviour because of longer solutionising time.
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| 7. |
- Han, Junsoo, et al.
(författare)
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Zr-based conversion coating on Zn and Zn-Al-Mg alloy coating : Understanding the accelerating effect of Cu(II) and NO3−
- 2020
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Ingår i: Surface & Coatings Technology. - : Elsevier B.V.. - 0257-8972 .- 1879-3347. ; 402
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Tidskriftsartikel (refereegranskat)abstract
- The reactivity of a Zn-Al-Mg galvanized steel substrate was monitored during a two-step conversion coating sequence with an alkaline pretreatment followed by conversion coating with hexafluorozirconic acid (H2ZrF6). The main effect of alkaline pretreatment was to remove initial oxides and to selectively dissolve Al, limiting the dissolution of Al in the zirconate bath. The commercial alkaline cleaner dissolved Mg from the MgZn2 intermetallic phase. The effect of NO3− and Cu(II) on the reactivity of a commercial Zn-Al-Mg alloy coating was investigated in H2ZrF6, simulating a Zr-based conversion coating process. NO3− served as an oxidant which enhanced the production of OH− leading to a more consequent ZrO2 deposition. Cu(II) underwent a displacement reaction with Zn (0) to form Cu(0) which catalyzed the reduction of NO3− and H+. The interplay between activation and passivation was demonstrated by the occurrence of oscillations in the both NO3− and Cu(II) containing electrolyte under certain conditions.
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| 8. |
- Jafari, R., et al.
(författare)
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KCI-induced corrosion behavior of HVAF-sprayed Ni-based coatings in ambient air
- 2017
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Ingår i: Proceedings of the International Thermal Spray Conference & Exposition (ITSC 2017). - : Curran Associates, Inc.. - 9781510858220 ; , s. 946-950
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Konferensbidrag (refereegranskat)abstract
- It is well known that the presence of KCl deposited on superheater tubes in biomass- and waste-fired boilers leads to a severe corrosion and premature damage. In order to protect such critical components which are routinely exposed to aggressive environments, thermal spray coatings are frequently proposed as a potential solution. By virtue of the techno-commercial benefits that provides as a direct outcome of its ability to cost-effectively deposit coatings virtually free of porosity and in situ formed oxides, the high velocity air-fuel (HVAF) process offers a particularly attractive approach. In the present work, the influence of KCl on the oxidation behavior of four HVAF-sprayed Ni-based coatings (Ni21Cr, Ni5AI, Ni21Cr7AI1Y, and Ni21Cr9Mo) has been investigated. The coatings were deposited onto specimens of 16Mo3 steel, a widely used boiler tube material. High temperature corrosion tests were carried out in ambient air at 600°C, with 0.1 mg/cm2 KCl being sprayed onto the samples prior to the exposure. Uncoated substrates and an identical test environment without KCl were used as reference. SEM/EDS and XRD techniques were utilized to characterize the as-sprayed and exposed samples. The results showed that the small addition of KCl significantly accelerated damage to the coatings. It was further revealed that the alumina-forming NiAl coating was capable of forming a more protective oxide scale compared to other chromia and mixed-oxide scale forming coatings. In general, the oxidation resistance of the coatings based on the kinetic studies had the following ranking (from the best to the worst): NiAl >NiCr> NiCrAlY> NiCrMo. © Copyright 2017 by DVS Media GmbH. All rights reserved.
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| 9. |
- Zhang, Fan, et al.
(författare)
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Anodisation of aluminium alloy AA7075 – Influence of intermetallic particles on anodic oxide growth
- 2020
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Ingår i: Corrosion Science. - : Elsevier Ltd. - 0010-938X .- 1879-0496. ; 164
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Tidskriftsartikel (refereegranskat)abstract
- Microstructure and Volta-potential analyses were conducted to characterise intermetallic-particles (IMPs) in AA7075-T5. EIS and AFM were applied under operando-conditions to investigate anodisation processes. IMPs have pronounced influence on the growth of anodic aluminium oxide (AAO) films resulting in low charge-transfer resistance. Cu-bearing constituents show cathodic-character, whereas Mg2Si and MgZn2 particles show anodic-character. During anodisation, Al7Cu2Fe remain stable with peripheral-dissolution around boundary. De-alloying of S-phase particles leads to the detachment. Mg2Si undergoes de-alloying at low potential, and re-passivation at high potential. MgZn2 dissolves entirely upon anodization. Localised-dissolution in large-IMPs boundaries or nanometre-sized IMPs facilitates bubble evolution, confirming local breakdown of barrier-layer.
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| 10. |
- Bigdeli, Sedigheh, 1984, et al.
(författare)
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Strategies for High-Temperature Corrosion Simulations of Fe-Based Alloys Using the Calphad Approach : Part I
- 2021
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Ingår i: Journal of Phase Equilibria and Diffusion. - : Springer Nature. - 1547-7037 .- 1863-7345. ; 42:3, s. 403-418
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Tidskriftsartikel (refereegranskat)abstract
- The environmental degradation of materials at high temperatures limits the useful life of different industrial components and hinders the development of more economical and environmentally friendly processes for the energy production. Despite the importance of this phenomena, a model to predict lifetime of materials that degrade due to high-temperature corrosion has up till now been lacking due to limitations of the computational possibilities and the complex nature of oxidation. In the present work we develop some strategies to model high-temperature corrosion in Fe-based alloys using the Calphad (Calculation of Phase Diagrams) approach. It is proposed that kinetic-based simulations for oxidation of Al and Cr can accurately represent the lifetime of the protective layers in FeCrAl and FeCr alloys at different temperatures in air. The oxide systems are in addition investigated by equilibrium calculations. The corrosion mechanisms of FeCr and FeCrAl alloys are discussed based on theoretical and experimental knowledge.
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