Výsledky vyhledávání - "Kohyama, Masanori"

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Boundary Plane-Oriented Grain Boundary Model Generation

Autor: Hinuma, Yoyo, Kohyama, Masanori, Tanaka, Shingo

Publikováno v: Modelling Simul. Mater. Sci. Eng. 30 (2022) 045005

This study proposes algorithms for building tilt grain boundary (GB) models with a boundary plane-oriented approach that does not rely on existence of a coincidence site lattice (CSL). As conventional GB model generation uses the CSL of superimposed

Externí odkaz: http://arxiv.org/abs/2305.00388

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Artificial neural network molecular mechanics of iron grain boundaries

Autor: Shiihara, Yoshinori, Kanazawa, Ryosuke, Matsunaka, Daisuke, Lobzenko, Ivan, Tsuru, Tomohito, Kohyama, Masanori, Mori, Hideki

This study reports grain boundary (GB) energy calculations for 46 symmetric-tilt GBs in alpha-iron using molecular mechanics based on an artificial neural network (ANN) potential and compares the results with calculations based on the density functio

Externí odkaz: http://arxiv.org/abs/2106.12745

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Akademický článek

Artificial neural network molecular mechanics of iron grain boundaries

Autor: Shiihara, Yoshinori, Kanazawa, Ryosuke, Matsunaka, Daisuke, Lobzenko, Ivan, Tsuru, Tomohito, Kohyama, Masanori, Mori, Hideki

Publikováno v: In Scripta Materialia 15 January 2022 207

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Correlation between stress and band shift on late transition metal (111) surfaces

Autor: Shiihara, Yoshinori, Kohyama, Masanori, Ishibashi, Shoji

We use ab initio local stress calculations to investigate layer-by-layer ab initio stress inside late transition metal (111) surfaces, focusing on the origin of stress on the surface top layer. It is found that the band shift on each surface layer is

Externí odkaz: http://arxiv.org/abs/1211.4318

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