| 47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） | |
|---|
| Koki Otsuka, Anh Khoa Augustin Lu, Koji Shimizu, Satoshi Watanabe, Koki Otsuka, 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, Quentin Bizot, 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, Hiroshi Mizuseki, 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, Tomoki Wada, Kai Hiyama, 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 | |
| Heting Liao, Jun-Ping Du, Hajime Kimizuka, Shigenobu Ogata, Jun-Ping Du, Hajime Kimizuka, Shigenobu Ogata. Atomistic simulation of Guinier–Preston zone nucleation kinetics in Al–Cu alloys: A neural network-driven kinetic Monte Carlo approach. Computational Materials Science. 251 (2025) 113771 10.1016/j.commatsci.2025.113771 | |
| Hiroshi Mizuseki, Ryoji Sahara, Kenta Hongo, Hiroshi Mizuseki, 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 | |
