| 32 article(s) found. Sorted by publication dates. (Help) | |
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| E. Adabifiroozjaei, S.S. Mofarah, H. Ma, Y. Jiang, M. Hussein N. Assadi, T.S. Suzuki. Molecular dynamics simulation of vacancy cluster formation in β- and α-Si3N4. Computational Materials Science. 178 (2020) 109632 10.1016/j.commatsci.2020.109632 | |
| Yoyo Hinuma, Giovanni Pizzi, Yu Kumagai, Fumiyasu Oba, Isao Tanaka. Band structure diagram paths based on crystallography. Computational Materials Science. 128 (2017) 140-184 10.1016/j.commatsci.2016.10.015 | |
| Yuki Obukuro, Kakeru Ninomiya, Masao Arai, Yuji Okuyama, Go Sakai, Shigenori Matsushima. First-principles study on LaYbO 3 as the localized f electrons containing system with MBJ–LDA + U approach. Computational Materials Science. 126 (2017) 7-11 10.1016/j.commatsci.2016.09.005 | |
| Alexander Umantsev, Machiko Ode. Formation of long-period stacking fault structures in magnesium alloys. Computational Materials Science. 124 (2016) 173-182 10.1016/j.commatsci.2016.07.035 Open Access | |
| Yoyo Hinuma, Yu Kumagai, Fumiyasu Oba, Isao Tanaka. Categorization of surface polarity from a crystallographic approach. Computational Materials Science. 113 (2016) 221-230 10.1016/j.commatsci.2015.11.042 | |
| Qi Lu, Yoshiaki Toda, Naomichi Harada, Wei Xu, Sybrand van der Zwaag. The impact of intended service temperature on the optimal composition of Laves and M23C6 precipitate strengthened ferritic creep resistant steels. Computational Materials Science. 107 (2015) 110-115 10.1016/j.commatsci.2015.05.016 | |
| Chengduo Wang, Hai Qiu, Tadanobu Inoue, Qiwen Yao, Yanwei Ma. Investigation on the effects of native defects on electronic structure in MgB2 by first-principles calculation. Computational Materials Science. 90 (2014) 153-156 10.1016/j.commatsci.2014.04.023 | |
| Chengduo Wang, Hai Qiu, Tadanobu Inoue, Qiwen Yao. Electronic structure calculations of I and Mn doped BiOCl with modified Becke–Johnson potential. Computational Materials Science. 85 (2014) 138-141 10.1016/j.commatsci.2013.12.056 | |
| Mauro Palumbo, Suzana G. Fries, Thomas Hammerschmidt, Taichi Abe, Jean-Claude Crivello, Abed Al Hasan Breidi, Jean-Marc Joubert, Ralf Drautz. First-principles-based phase diagrams and thermodynamic properties of TCP phases in Re–X systems (X=Ta, V, W). Computational Materials Science. 81 (2014) 433-445 10.1016/j.commatsci.2013.08.051 | |
| Hidetoshi Somekawa, Toshiji Mukai. Molecular dynamics simulation of grain boundary plasticity in magnesium and solid-solution magnesium alloys. Computational Materials Science. 77 (2013) 424-429 10.1016/j.commatsci.2013.04.043 | |
