Электронная библиотека (репозиторий) Томского государственного университета

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Add   Recent progress in simulations of the paramagnetic state of magnetic materials
Authors: Abrikosov, Igor A. | Steneteg, P. | Barannikova, Svetlana A. | Alling, B. | Ponomareva, A. V.
Source: Current opinion in solid state and materials science. 2016. Vol. 20, № 2. P. 85-106
Type: статьи в журналах
Date: 2016
Description: We review recent developments in the field of first-principles simulations of magnetic materials above the magnetic order–disorder transition temperature, focusing mainly on 3d-transition metals, thei ... More
Add   Nitrogen vacancy, self-interstitial diffusion, and Frenkel-pair formation/dissociation in B1 TiN studied by ab initio and classical molecular dynamics with optimized potentials
Authors: Sangiovanni, D. G. | Steneteg, P. | Hultman, Lars | Abrikosov, Igor A. | Alling, B.
Source: Physical Review B. 2015. Vol. 91, № 5. P. 054301-1-054301-17
Type: статьи в журналах
Date: 2015
Description: We use ab initio and classical molecular dynamics (AIMD and CMD) based on the modified embedded-atom method (MEAM) potential to simulate diffusion of N vacancy and N self-interstitial point defects in ... More
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