OS28: 原子・電子モデルによる材料シミュレーション

[B-01] 原子・電子モデルによる材料シミュレーション(1)

Wed. Jun 6, 2018 10:00 AM - 11:45 AM 会場B (11F)

座長:梅野宜崇(東京大学)

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10:00 AM - 10:15 AM

[B-01-01] First-principles calculation on adsorption-induced local stress on graphene

*Yoshinori Shiihara¹ (1. Toyota Technological Institute)

10:15 AM - 10:30 AM

[B-01-02] First-principles derivation of nonlinear elastic constitutive relations of single crystals

*Hajime Kimizuka¹, Shigenobu Ogata^1,2 (1. Osaka University, 2. Kyoto University)

10:30 AM - 10:45 AM

[B-01-03] Peridynamics and Molecular Dynamics Simulations of Silicon Carbide in Elastic-plastic deformation and fracture

*Ken-ichi Saitoh¹, Naomichi Ota³, Kenji Nishimura², Tomohiro Sato¹, Masanori Takuma³, Yoshimasa Takahashi¹ (1. Department of Mechanical Engineering, Faculty of Engineering Science, Kansai University, 2. National Institute of Advanced Industrial Science and Technology(AIST), 3. Graduate School of Science and Engineering, Kansai University(Before affiliation))

10:45 AM - 11:00 AM

[B-01-04] Effect of surface adsorbed atoms on polar molecules adsorption on iron surface

*Yuki Uchiyama^1,2, Yoshinori Shiihara¹ (1. Toyota Technological Institute, 2. NSK Ltd.)

11:00 AM - 11:15 AM

[B-01-05] Atomistic simulation of interaction between dislocation and nanotube in Aluminum+CNT composite.

*Hideki MORI¹, Shigenobu Ogata² (1. College of Industrial Technology, 2. Osaka University)

11:15 AM - 11:30 AM

[B-01-06] First-principles study of multiferroic dislocations in SrTiO3

*Takahiro Shimada¹, Youhei Hagiwara¹, Takayuki Kitamura¹ (1. Department of Mechanical Engineering and Science, Graduate School of Engineering, Kyoto University)

11:30 AM - 11:45 AM

[B-01-07] Interatomic Interaction of Different Species of Atom in Embedded Atom Method Potential

*Daisuke Matsunaka¹, Fumihiko Kimura¹ (1. Shinshu University)

Session information