| 46件の論文が見つかりました。論文は出版年月日順に表示しています。（ヘルプ） | |
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| Koki Otsuka, Anh Khoa Augustin Lu, Koji Shimizu, Satoshi Watanabe. Distance-insensitive Graph Neural Networks and multi-task learning for accurate prediction of adsorption energies on alloy nanoclusters. Computational Materials Science. 274 (2026) 114987 10.1016/j.commatsci.2026.114987 Open Access | |
| Quentin Bizot, Ryo Tamura, Guillaume Deffrennes. Active learning for predicting the enthalpy of mixing in binary liquids based on ab initio molecular dynamics. Computational Materials Science. 266 (2026) 114568 10.1016/j.commatsci.2026.114568 Open Access | |
| Hiroshi Mizuseki, Ryoji Sahara, Kenta Hongo. Stable HCP high-entropy alloys identified by knowledge-based screening and valence electron concentration criteria. Computational Materials Science. 267 (2026) 114584 10.1016/j.commatsci.2026.114584 Open Access | |
| Tomoki Wada, Kai Hiyama, Ryoji Sahara, Kyosuke Ueda, Takayuki Narushima. Clarification of the effects of carbon and nitrogen addition on the stacking fault energy in Co-X binary alloys (X = Cr, W, and Ni) by first-principles calculations. Computational Materials Science. 262 (2026) 114374 10.1016/j.commatsci.2025.114374 | |
| Hiroshi Mizuseki, Ryoji Sahara, Kenta Hongo. Valence electron concentration-dependent stability of L12, D023, and D022 ordered phases in high-entropy alloys. Computational Materials Science. 259 (2025) 114114 10.1016/j.commatsci.2025.114114 Open Access | |
| Pandu Wisesa, Terumasa Tadano, Wissam A. Saidi. Deep-learning neural network potentials for titanate perovskites. Computational Materials Science. 250 (2025) 113719 10.1016/j.commatsci.2025.113719 | |
| Sukeharu Nomoto, Masahiro Kusano, Tomonori Kitashima, Makoto Watanabe. Numerical simulation method for the laser powder bed fusion process by lattice Boltzmann and multi-phase field methods. Computational Materials Science. 250 (2025) 113688 10.1016/j.commatsci.2025.113688 Open Access | |
| Yusuke Matsuoka, Mingzhe Bian, Yuhki Tsukada, Yasumasa Chino, Toshiyuki Koyama. CALPHAD-linked analysis of grain boundary segregation and phase-field simulation of solute-drag effect in multicomponent magnesium alloys. Computational Materials Science. 234 (2024) 112796 10.1016/j.commatsci.2024.112796 | |
| E.N. Zanaeva, A.K.A. Lu, D.V. Louzguine-Luzgin. On atomic segregation in metallic glasses induced by shear deformation: A computer simulation study. Computational Materials Science. 238 (2024) 112923 10.1016/j.commatsci.2024.112923 | |
| Junichiro Moriyama, Osamu Takakuwa, Masatake Yamaguchi, Yuhei Ogawa, Kaneaki Tsuzaki. The contribution of Cr and Ni to hydrogen absorption energy in Fe-Cr-Ni austenitic systems: A first-principles study. Computational Materials Science. 232 (2024) 112650 10.1016/j.commatsci.2023.112650 Open Access | |
