| 1. |
- Gustafsson, Håkan, et al.
(författare)
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Magnetic and Electron Spin Relaxation Properties of (GdxY1-x)(2)O-3 (0 <= x <= 1) Nanoparticles Synthesized by the Combustion Method. Increased Electron Spin Relaxation Times with Increasing Yttrium Content
- 2011
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Ingår i: The Journal of Physical Chemistry C. - : American Chemical Society (ACS). - 1932-7447 .- 1932-7455. ; 115:13, s. 5469-5477
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Tidskriftsartikel (refereegranskat)abstract
- The performance of a magnetic resonance imaging contrast agent (CA) depends on several factors, including the relaxation times of the unpaired electrons in the CA. The electron spin relaxation time may be a key factor for the performance of new CAs, such as nanosized Gd2O3 particles. The aim of this work is, therefore, to study changes in the magnetic susceptibility and the electron spin relaxation time of paramagnetic Gd2O3 nanoparticles diluted with increasing amounts of diamagnetic Y2O3. Nanoparticles of (GdxY1-x)(2)O-3 (0 <= x <= 1) were prepared by the combustion method and thoroughly characterized (by X-ray diffraction, transmission electron microscopy, thermogravimetry coupled with mass spectroscopy, photoelectron spectroscopy, Fourier transform infrared spectroscopy, and magnetic susceptibility measurements). Changes in the electron spin relaxation time were estimated by observations of the signal line width in electron paramagnetic resonance spectroscopy, and it was found that the line width was dependent on the concentration of yttrium, indicating that diamagnetic Y2O3 may increase the electron spin relaxation time of Gd2O3 nanoparticles.
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| 2. |
- Gustafsson, Håkan, 1976-, et al.
(författare)
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Magnetic and Electron Spin Relaxation Properties of (GdxY1-x)2O3 (0 ≤ x ≤ 1) Nanoparticles Synthesized by the Combustion Method. Increased Electron Spin Relaxation Times with Increasing Yttrium Content
- 2011
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Ingår i: The Journal of Physical Chemistry C. - United States : American Chemical Society. - 1932-7447 .- 1932-7455. ; 115:13, s. 5469-5477
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Tidskriftsartikel (refereegranskat)abstract
- The performance of a magnetic resonance imaging contrast agent (CA) depends on several factors, including the relaxation times of the unpaired electrons in the CA. The electron spin relaxation time may be a key factor for the performance of new CAs, such as nanosized Gd2O3 particles. The aim of this work is, therefore, to study changes in the magnetic susceptibility and the electron spin relaxation time of paramagnetic Gd2O3 nanoparticles diluted with increasing amounts of diamagnetic Y2O3. Nanoparticles of (GdxY1-x)2O3 (0 e x e 1) were prepared by the combustion method and thoroughly characterized (by X-ray di.raction, transmission electron microscopy, thermogravimetry coupled with mass spectroscopy, photoelectron spectroscopy, Fourier transform infrared spectroscopy, and magnetic susceptibility measurements). Changes in the electron spin relaxation time were estimated by observations of the signal line width in electron paramagnetic resonance spectroscopy, and it was found that the line width was dependent on the concentration of yttrium, indicating that diamagnetic Y2O3 may increase the electron spin relaxation time of Gd2O3 nanoparticles.
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| 3. |
- Ballem, Mohamed Ali, et al.
(författare)
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Growth of Gd2O3 nanoparticles inside mesoporous silica frameworks
- 2013
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Ingår i: Microporous and Mesoporous Materials. - : Elsevier BV. - 1387-1811 .- 1873-3093. ; 168, s. 221-224
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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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| 4. |
- Ahrén, Maria, et al.
(författare)
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A simple polyol-free synthesis route to Gd 2O 3 nanoparticles for MRI applications : An experimental and theoretical study
- 2012
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Ingår i: Journal of nanoparticle research. - : Springer. - 1388-0764 .- 1572-896X. ; 14:8
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Tidskriftsartikel (refereegranskat)abstract
- Chelated gadolinium ions, e.g., Gd-DTPA, are today used clinically as contrast agents for magnetic resonance imaging (MRI). An attractive alternative contrast agent is composed of gadolinium oxide nanoparticles as they have shown to provide enhanced contrast and, in principle, more straightforward molecular capping possibilities. In this study, we report a new, simple, and polyol-free way of synthesizing 4-5-nm-sized Gd 2O 3 nanoparticles at room temperature, with high stability and water solubility. The nanoparticles induce high-proton relaxivity compared to Gd-DTPA showing r 1 and r 2 values almost as high as those for free Gd 3+ ions in water. The Gd 2O 3 nanoparticles are capped with acetate and carbonate groups, as shown with infrared spectroscopy, near-edge X-ray absorption spectroscopy, X-ray photoelectron spectroscopy and combined thermogravimetric and mass spectroscopy analysis. Interpretation of infrared spectroscopy data is corroborated by extensive quantum chemical calculations. This nanomaterial is easily prepared and has promising properties to function as a core in a future contrast agent for MRI.
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| 5. |
- Ahrén, Maria, et al.
(författare)
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One-step synthesis of sub 5 nm sized manganese oxide based nanoparticles
- 2013
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Annan publikation (övrigt vetenskapligt/konstnärligt)abstract
- Sub 5 nm sized manganese oxide nanoparticles; MnOx (1 ≤ x ≤ 2), were synthesized via a short time room temperature synthesis route. The nanoparticles are crystalline, spherically shaped and in the size range of 2-4 nm as shown by transmission electron microscopy studies. Selected area electron diffraction patterns were collected and their appearance indicated that the nanoparticle cores are composed of MnO. Also, co-existence of the (II) and (III) oxidation states at the nanoparticle surface was verified by results achieved from infrared spectroscopy and X-ray photoelectron spectroscopy. These measurements also supported presence of a minor amount of acetate groups as well as a negligible fraction of carbonate groups at the nanoparticle surfaces. The interpretation of the IR spectra was confirmed by quantum chemical calculations using the high spin manganese nanoparticle Mn12O12(OAc)16(H2O)4, as a model system for the MnOx nanoparticle surface. Bulk MnO and Mn2O3 are known to be antiferromagnetic. The magnetic properties are however somewhat dependent of the crystallite size and changes when scaling down to the nanoregion. The MnOx (1 ≤ x ≤ 2) nanoparticles investigated in this work show a superparamagnetic behavior with a blocking temperature of approximately 12 K proven by means of SQUID measurements. The relaxivities of the nanoparticles and the Mn(OAc)2 precursors were studied with a bench top NMR analyzer verifying nanoparticle r1 and r2 of 0.5 and 6 mMs-1 respectively. The r1 relaxivity is lower than what is earlier reported for Gd based contrast agent, but improvements are expected by further surface modification, due to increased rotational time and higher water dispersability.
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| 6. |
- Ahrén, Maria, et al.
(författare)
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Synthesis and Characterization of PEGylated Gd2O3 Nanoparticles for MRI Contrast Enhancement
- 2010
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Ingår i: Langmuir. - : American Chemical Society (ACS). - 0743-7463 .- 1520-5827. ; 26:8, s. 5753-5762
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Tidskriftsartikel (refereegranskat)abstract
- Recently, much attention has been given to the development of biofunctionalized nanoparticles with magnetic properties for novel biomedical imaging. Guided, smart, targeting nanoparticulate magnetic resonance imaging (MRI) contrast agents inducing high MRI signal will be valuable tools for future tissue specific imaging and investigation of molecular and cellular events. In this study. We report a new design of functionalized ultrasmall rare earth based nanoparticles to be used as a positive contrast agent in NI RI. The relaxivity is compared to commercially available Gd based chelates. The synthesis, PEGylation, and dialysis of small (3-5 nm) gadolinium oxide (DEG-Gd2O3) nanoparticles are presented. The chemical and physical properties of the nanomaterial were investigated with Fourier transform infrared spectroscopy. X-ray photoelectron spectroscopy, transmission electron microscopy, and dynamic light scattering. Neutrophil activation after exposure to this nanomaterial was studied by means of fluorescence microscopy. The proton relaxation times as a function of dialysis time and functionalization were measured at 1.5 T. A capping procedure introducing stabilizing properties was designed and verified, and the dialysis effects were evaluated. A higher proton relaxivity was obtained for as-synthesized diethylene glycol (DEG)-Gd2O3 nanoparticles compared to commercial Gd-DTPA. A slight decrease of the relaxivity for as-synthesized DEG-Gd2O3 nanoparticles as a function of dialysis time was observed. The results for functionalized nanoparticles showed a considerable relaxivity increase for particles dialyzed extensively with r(1) and r(2) values approximately 4 times the corresponding values for Gd-DTPA. The microscopy study showed that PEGylated nanoparticles do not activate neutrophils in contrast to uncapped Gd2O3. Finally, the nanoparticles are equipped with Rhodamine to show that our PEGylated nanoparticles are available for further coupling chemistry, and thus prepared for targeting purposes. The long term goal is to design a powerful, directed contrast agent for MRI examinations with specific targeting possibilities and with properties inducing local contrast, that is. an extremely high MR signal at the cellular and molecular level.
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| 7. |
- Becker, Richard, et al.
(författare)
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Synthesis of silver nanowires in aqueous solutions
- 2010
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Ingår i: Materials letters (General ed.). - : Elsevier BV. - 0167-577X .- 1873-4979. ; 64:8, s. 956-958
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Tidskriftsartikel (refereegranskat)abstract
- Silver nanowires with a diameter of 30 nm and typical lengths of 5–10 μm have been synthesized in an aqueous medium. To initiate the reaction, citrate ions were used, and during the reaction the aromatic organicmolecules polymerize forming “straight” chain surfactants which support the formation of nanowires. Characterization by TEM and HRETM revealed the nanowires to be highly crystalline with a growth along the [110] direction.
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| 8. |
- Göransson, Kristina, et al.
(författare)
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Internal tar/CH4 reforming in a biomass dual fluidised bed gasifier
- 2014
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Ingår i: Proceeding of 4th International Symposium on Gasification and its Applications.
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Konferensbidrag (övrigt vetenskapligt/konstnärligt)abstract
- An internal reformer is developed for in-situ catalytic reforming of tar and methane (CH4) in allothermal gasifiers. The study has been performed in the 150 kW dual fluidised bed (DFB) biomass gasifier at Mid Sweden University (MIUN). The MIUN gasifier is built for research on synthetic fuel production. Reduction of tars and CH4 (except for methanation application) in the syngas is a major challenge for commercialization of biomass fluidised-bed gasification technology towards automotive fuel production. The MIUN gasifier has a unique design with an internal reformer, where intensive contact of gas and catalytic solids improves the reforming reactions. This paper presents a study on the internal reformer operated with and without Ni-catalytic pellets, by evaluation of the syngas composition and tar/CH4 content. It can be concluded that the reformer with Ni-catalytic pellets clearly gives a higher H2 content together with lower CH4 and tar contents in the syngas than the reformer without Ni-catalytic pellets. The gravimetric tar content decreases down to 5 g/m3 and the CH4 content down below 6% in the syngas. The novel design in the MIUN gasifier increases the gasification efficiency, suppresses the tar generation and upgrades the syngas quality
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| 9. |
- Khan, Yaqoob, et al.
(författare)
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Honeycomb β-Ni(OH)2 films grown on 3D nickel foam substrates at low temperature
- 2012
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Ingår i: Materials letters (General ed.). - : Elsevier BV. - 0167-577X .- 1873-4979. ; 69, s. 37-40
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Tidskriftsartikel (refereegranskat)abstract
- A simple method is presented to grow thick honeycomb β-Ni(OH)2 films on 3D nickel foam substrates at80 °C using nickel sulfate and ammonia as the starting materials. The porous honeycomb network structureof the films with pore openings about 0.5–1 μm wide is built from seamlessly connected polycrystallinenanowalls, approximately 10–20 nm thick. The amount of ammonia added to the growth solution and thegrowth time were found to be critical parameters in determining the morphology and pore structure ofthe films. Air annealing of the as-prepared films resulted in polycrystalline NiO films with morphologiessimilar to those of their hydroxide precursors.
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| 10. |
- Khan, Yagoob, et al.
(författare)
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On the decoration of 3D nickel foam with single crystal ZnO nanorod arrays and their cathodoluminescence study
- 2013
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Ingår i: Materials letters (General ed.). - : Elsevier. - 0167-577X .- 1873-4979. ; 90, s. 126-130
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Tidskriftsartikel (refereegranskat)abstract
- Starting with an ammonical solution of zinc acetate, dense single crystal ZnO nanorod arrays were grown directly on high surface area porous 3D nickel foam substrates using a low temperature hydrothermal route. Heterogeneous nucleation of the nanorods with diameters around 100 nm can be conveniently and reproducibly Controlled by adjusting the amount of ammonia added to the growth solution. X-ray diffraction and HRTEM analysis confirmed the single phase wurtzite structure and c-axis orientation of the as grown ZnO nanorod arrays. Cathodoluminescence measurements indicate that the as-grown nanorod arrays were rich in atomic defects and gave strong orange emissions in the visible region. The nanorod arrays on unique 3D substrate are expected to improve the sensitivity and efficiency of ZnO based electrochemical sensors and heterogeneous catalysts.
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| 11. |
- Landa, A., et al.
(författare)
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Ab initio study of advanced metallic nuclear fuels for fast breeder reactors
- 2012
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Ingår i: Actinides And Nuclear Energy Materials. - : Materials Research Society. - 9781605114217 ; , s. 67-78
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Konferensbidrag (refereegranskat)abstract
- Density-functional formalism is applied to study the ground state properties of γ-U-Zr and γ-U-Mo solid solutions. Calculated heats of formation are compared with CALPHAD assessments. We discuss how the heat of formation in both alloys correlates with the charge transfer between the alloy components. The decomposition curves for γ-based U-Zr and U-Mo solid solutions are derived from Ising-type Monte Carlo simulations. We explore the idea of stabilization of the γ-UZr2 compound against the α-Zr (hcp) structure due to increase of Zr d-band occupancy by the addition of U to Zr. We discuss how the specific behavior of the electronic density of states in the vicinity of the Fermi level promotes the stabilization of the U2Mo compound. The mechanism of possible Am redistribution in the U-Zr and U-Mo fuels is also discussed.
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| 12. |
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| 13. |
- Selegård, Linnéa, et al.
(författare)
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Bifunctional gadolinium decorated ZnO nanocrystals integrating both enhanced MR signal and bright fluorescence
- 2013
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Annan publikation (övrigt vetenskapligt/konstnärligt)abstract
- Gadolinium decorated ZnO nanoparticles simultaneously possess both fluorescent and MR enhancement properties. These ZnO nanoparticles are crystalline and shielded by an amorphous gadolinium acetate matrix. Interestingly, the Gd-acetate decoration enhances the fluorescence emission of the ZnO nanoparticles. The quantum yield does increase for samples with high Gd/Zn relative ratios and these samples do also show a higher colloidal stability.In addition, these nanoparticles show an enhanced relaxivity value per Gd atom (r119.9mM1s-1) compared to results earlier reported both on Gd alloyed ZnO nanoparticles and pure Gd2O3 nanoparticles. This improvement is considered to be due to the close proximity of Gd atoms and surrounding water molecules. A comprehensive study of the quantum yield and the relaxivity, as a function of composition, enable us to identify the ultimate design/composition of gadolinium decorated ZnO nanoparticles for optimum fluorescence and MR enhancement properties.
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| 14. |
- Selegård, Linnéa, et al.
(författare)
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Biotinylation of ZnO Nanoparticles and Thin Films: A Two-Step Surface Functionalization Study
- 2010
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Ingår i: ACS APPLIED MATERIALS and INTERFACES. - : AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, DC 20036 USA. - 1944-8244 .- 1944-8252. ; 2:7, s. 2128-2135
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Tidskriftsartikel (refereegranskat)abstract
- This study reports ZnO nanoparticles and thin film surface modification using a two-step functionalization strategy. A small silane molecule was used to build up a stabilizing layer and for conjugation of biotin (vitamin B7), as a specific tag. Biotin was chosen because it is a well-studied bioactive molecule with high affinity for avidin. ZnO nanoparticles were synthesized by electrochemical deposition under oxidizing condition, and ZnO films were prepared by plasma-enhanced metal organic chemical vapor deposition. Both ZnO nanoparticles and ZnO thin films were surface modified by forming a (3-mercaptopropyl)trimethoxysilane (MPTS) layer followed by attachment of a biotin derivate. lodoacetyl-PEG2-biotin molecule was coupled to the thiol unit in MPTS through a substitution reaction. Powder X-ray diffraction, transmission electron microscopy, X-ray photoemission electron microscopy, atomic force microscopy. X-ray photoelectron spectroscopy, and near-edge X-ray absorption fine structure spectroscopy were used to investigate the as-synthesized and functionalized ZnO materials. The measurements showed highly crystalline materials in both cases with a ZnO nanoparticle diameter of about 5 nm and a grain size of about 45 nm for the as-grown ZnO thin films. The surface modification process resulted in coupling of silanes and biotin to both the ZnO nanoparticles and ZnO thin films. The two-step functionalization strategy has a high potential for specific targeting in bioimaging probes and for recognition studies in biosensing applications.
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| 15. |
- Söderlind, Per, et al.
(författare)
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Computational modeling of actinide materials and complexes
- 2010
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Ingår i: MRS bulletin. - 0883-7694 .- 1938-1425. ; 35:11, s. 883-888
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Tidskriftsartikel (refereegranskat)abstract
- In spite of being rare, actinide elements provide the building blocks for many fascinating condensed-matter systems, both from an experimental and theoretical perspective Experimental observations of actinide materials are difficult because of rarity, toxicity, radioactivity, and even safety and security Theory, on the other hand, has its own challenges Complex crystal and electronic structures are often encountered in actinide materials, as well as pronounced electron correlation effects Consequently, theoretical modeling of actinide materials and their 5f electronic states is very difficult Here, we review recent theoretical efforts to describe and sometimes predict the behavior of actinide materials and complexes, such as phase stability, including density functional theory (DFT), DFT in conjunction with an additional Coulomb repulsion U(DFT+U), and DFT in combination with dynamical mean-field theory (DFT+DMFT)
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| 16. |
- Söderlind, Per, et al.
(författare)
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High-temperature phonon stabilization of γ-uranium from relativistic first-principles theory
- 2012
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 85:6, s. 060301-
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Tidskriftsartikel (refereegranskat)abstract
- A microscopic explanation for temperature stabilization of the body-centered cubic (bcc) phase in the actinide metals is proposed. We show that for a prototype actinide, uranium, phonon-phonon interaction promotes bcc gamma-U when heated, even though at low temperatures, it is mechanically a strongly unstable phase. Utilizing the recently developed self-consistent ab initio lattice dynamics (SCAILD) scheme in conjunction with highly accurate and fully relativistic density functional theory we obtain phonon dispersion and density of states that compare well with data acquired from inelastic neutron-scattering experiments. The investigation thus establishes that high-temperature lattice dynamics can be modeled from ab initio theory even for complex materials with substantial electron correlation including the actinides.
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