Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Thi Nu Pham"'
Publikováno v:
Scientific Reports, Vol 12, Iss 1, Pp 1-13 (2022)
Abstract The microstructures of the Ti–V alloy are studied by purely first-principles calculations without relying on any empirical or experimental parameter. The special quasirandom structure model is employed to treat the all-proportional solid s
Externí odkaz:
https://doaj.org/article/56ea61c3aa4f42c3bb20a776fd68bad8
Autor:
Kaoru Ohno, Riichi Kuwahara, Ryoji Sahara, Thi Nu Pham, Swastibrata Bhattacharyya, Yoshiyuki Kawazoe, Keisuke Fujisaki
Publikováno v:
ISIJ International. 63:553-558
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::06c6625da25d8358d7301a122ed62311
https://doi.org/10.2355/isijinternational.isijint-2022-465
https://doi.org/10.2355/isijinternational.isijint-2022-465
Akademický článek
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Publikováno v:
Journal of physics. Condensed matter : an Institute of Physics journal. 32(26)
Ti–6 wt% Al–4 wt% V (Ti64) is an α + β titanium alloy, in which the alloying components strongly affect the mechanical properties. In this report, element partitioning effects in Ti64 are investigated by using the first-principles phase field (
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::59952bee90652619e9a5eb2afbfbe328
https://pubmed.ncbi.nlm.nih.gov/32106095
https://pubmed.ncbi.nlm.nih.gov/32106095
Autor:
Riichi Kuwahara, Ryoji Sahara, Kaoru Ohno, Thi Nu Pham, Monami Tsuchiya, Swastibrata Bhattacharyya
Publikováno v:
Computational Materials Science. 197:110579
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7c800391795bd331cfe91a639598f354
https://doi.org/10.1016/j.commatsci.2021.110579
https://doi.org/10.1016/j.commatsci.2021.110579
Publikováno v:
Acta Materialia. 215:117050
The effect of the Pt concentration on microstructures of Ti-Pt alloys is studied by the first-principles phase field (FPPF) method, which enables us to investigate the evolution of microstructures from first principles without using thermodynamic emp
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a221cf01542accf4038a8c9f11f27246
https://doi.org/10.1016/j.actamat.2021.117050
https://doi.org/10.1016/j.actamat.2021.117050
Publikováno v:
Journal of Chemical Physics; 2016, Vol. 144 Issue 14, p1-6, 6p, 3 Color Photographs, 3 Diagrams, 3 Charts, 5 Graphs
Autor:
Riichi Kuwahara, Thi Nu Pham, Ryoji Sahara, Swastibrata Bhattacharyya, Kaoru Ohno, Monami Tsuchiya
Publikováno v:
Computational Materials Science. 191:110284
Ni-Ti alloys around equiatomic composition, i.e., those with 45–55 at.% Ni, at 1200 K are studied by using the first-principles phase field (FPPF) method, which does not rely on any thermodynamic empirical parameter. There is an important tolerant
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c46cf14def644f738b9a59a0692ac828
https://doi.org/10.1016/j.commatsci.2021.110284
https://doi.org/10.1016/j.commatsci.2021.110284
Publikováno v:
The Journal of chemical physics. 144(14)
Doing ab initio molecular dynamics simulations, we demonstrate a possibility of hydrogenation of carbon monoxide producing methanol step by step. At first, the hydrogen atom reacts with the carbon monoxide molecule at the excited state forming the fo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5b2c36ea89ef4d9638105c4c3d05d059
https://pubmed.ncbi.nlm.nih.gov/27083723
https://pubmed.ncbi.nlm.nih.gov/27083723