Zobrazeno 1 - 10
of 558
pro vyhledávání: '"Mendelev, M. I."'
Autor:
Ye, Z., Meng, F., Zhang, F., Sun, Y., Yang, L., Zhou, S. H., Napolitano, R. E., Mendelev, M. I., Ott, R. T., Kramer, M. J., Wang, C. Z., Ho, K. M.
Using an effective genetic algorithm, we uncover the structure of a metastable Al41Sm5 phase that supplements its family sharing similar short-range orders. The phase evolves upon heating an amorphous Al-9.7at.%Sm ribbon, produced by melt-spinning. T
Externí odkaz:
http://arxiv.org/abs/1712.09638
Publikováno v:
Phys. Rev. Materials 2, 023401 (2018)
While the role of the free energy barrier during nucleation is a text-book subject the importance of the kinetic factor is frequently underestimated. We obtained both quantities from molecular dynamics (MD) simulations for the pure Ni and B2 phases i
Externí odkaz:
http://arxiv.org/abs/1711.09806
Publikováno v:
J. Chem. Phys. 145, 154102 (2016)
New interatomic potentials describing defects, plasticity and high temperature phase transitions for Ti are presented. Fitting the martensitic hcp-bcc phase transformation temperature requires an efficient and accurate method to determine it. We appl
Externí odkaz:
http://arxiv.org/abs/1612.02992
Autor:
Mendelev, M. I., Bokstein, B. S.
We employed a recently developed semi-empirical Zr potential to determine the diffusivities in the hcp and bcc Zr via molecular dynamics simulation. The point defect concentration was determined directly from MD simulation rather than from theoretica
Externí odkaz:
http://arxiv.org/abs/0902.1338
We develop a new approach to determining LJ-EAM potentials for alloys and use these to determine the solid-liquid phase diagrams for binary metallic alloys using Kofke's Gibbs-Duhem integration technique combined with semigrand canonical Monte Carlo
Externí odkaz:
http://arxiv.org/abs/cond-mat/0608039
We present the derivation of an interatomic potential for the iron phosphorus system based primarily on {\it ab initio} data. Transferrability in this system is extremely problematic, and the potential is intended specifically to address the problem
Externí odkaz:
http://arxiv.org/abs/cond-mat/0406356
Publikováno v:
Journal of Chemical Physics; 12/7/2019, Vol. 151 Issue 21, p1-11, 11p, 1 Diagram, 3 Charts, 14 Graphs
Autor:
Song, H., Mendelev, M. I.
Publikováno v:
Journal of Chemical Physics; 12/28/2018, Vol. 149 Issue 24, pN.PAG-N.PAG, 8p, 3 Diagrams, 5 Graphs
Publikováno v:
Journal of Chemical Physics; 6/4/2018, Vol. 148 Issue 21, pN.PAG-N.PAG, 7p, 1 Diagram, 2 Charts, 4 Graphs
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