Zobrazeno 1 - 10
of 281
pro vyhledávání: '"Dudarev, S L"'
Autor:
Ellis, W. M. E., Reali, L., Davis, A., Brooks, H. M., Katramados, I., Thornton, A. J., Akers, R. A., Dudarev, S. L.
Determining stress and strain in a component of a fusion power plant involves defining boundary conditions for the mechanical equilibrium equations, implying the availability of a full reactor model for defining those conditions. To address this fund
Externí odkaz:
http://arxiv.org/abs/2409.13554
Publikováno v:
Acta Materialia 277 (2024) 120162
We recast the Howie-Whelan equations for generating simulated transmission electron microscope (TEM) images, replacing the dependence on local atomic displacements with atomic positions only. This allows very rapid computation of simulated TEM images
Externí odkaz:
http://arxiv.org/abs/2401.14781
Classical models of spin-lattice coupling are at present unable to accurately reproduce results for numerous properties of ferromagnetic materials, such as heat transport coefficients or the sudden collapse of the magnetic moment in hcp-Fe under pres
Externí odkaz:
http://arxiv.org/abs/2308.03130
Publikováno v:
Phys. Rev. Research 2, 043254 (2020)
The ability of a body-centered cubic metal to deform plastically is limited by the thermally activated glide motion of screw dislocations, which are line defects with a mobility exhibiting complex dependence on temperature, stress, and dislocation se
Externí odkaz:
http://arxiv.org/abs/2005.13336
The Einstein-de Haas (EdH) effect, where the spin angular momentum of electrons is transferred to the mechanical angular momentum of atoms, was established experimentally in 1915. While a semi-classical explanation of the effect exists, modern electr
Externí odkaz:
http://arxiv.org/abs/1905.10449
Publikováno v:
Phys. Rev. B 99, 184413 (2019)
The dynamics of magnetic moments in iron-chromium alloys with different levels of Cr clustering show unusual features resulting from the fact that even in a perfect body-centred cubic structure, magnetic moments experience geometric magnetic frustrat
Externí odkaz:
http://arxiv.org/abs/1902.01645
Parametrization of LSDA+$U$ for noncollinear magnetic configurations: Multipolar magnetism in UO$_2$
Publikováno v:
Phys. Rev. Materials 3, 083802 (2019)
To explore the formation of noncollinear magnetic configurations in materials with strongly correlated electrons, we derive a noncollinear LSDA+$U$ model involving only one parameter $U$, as opposed to the difference between the Hubbard and Stoner pa
Externí odkaz:
http://arxiv.org/abs/1811.06864
Hybrid mean field and real space model for vacancy diffusion-mediated annealing of radiation defects
Publikováno v:
Phys. Rev. E 98, 043002 (2018)
In a fusion or advanced fission reactor, high energy neutrons induce the formation of extended defect clusters in structural component materials, degrading their properties over time. Such damage can be partially recovered via a thermal annealing tre
Externí odkaz:
http://arxiv.org/abs/1802.04556
Publikováno v:
Phys. Rev. B 96, 094418 (2017)
The occurrence of bcc-fcc ($\alpha$-$\gamma$) and fcc-bcc ($\gamma$-$\delta$) phase transitions in magnetic iron stems from the interplay between magnetic excitations and lattice vibrations. However, this fact has never been proven by a direct dynami
Externí odkaz:
http://arxiv.org/abs/1706.07635
Using an ab initio approach, we explore the stability of small vacancy and vacancy-chromium clusters in dilute body-centred cubic Fe-Cr alloys. To explain experimental observations described in C.D. Hardie et al., J. Nucl. Mater. 439, 33 (2013) and s
Externí odkaz:
http://arxiv.org/abs/1703.02767