Volumes 475-479

doi: 10.4028/

Paper Title Page

Authors: Tetsuo Mohri, Munekazu Ohno, Ying Chen

Abstract: Phase Field Method (PFM) is hybridized with Cluster Variation Method (CVM) to investigate the ordering dynamics of L10-disorder transition...

Authors: Jong K. Lee

Abstract: Recent work has shown evidence of cyclical phase transformations taking place during mechanical alloying. Cyclical phase transformations...

Authors: Fei Gao, Eric J. Bylaska, William J. Weber

Abstract: The defect properties and atomic configurations in GaN have been comparatively investigated using density functional theory (DFT) and...

Authors: Xiao Lin Shu, Yu Hu Wang, Hui Qiu Deng, Ying Zhang, Sheng Hua Deng, Chong Yu Wang, Bang Wei Zhang

Abstract: The point defect properties of L12 Ni3Al are determined by MD with a simple modified analytic EAM model with the basic physical properties...

Authors: Katsuyuki Matsunaga, Teruyasu Mizoguchi, Atsutomo Nakamura, Takahisa Yamamoto, Yuichi Ikuhara

Abstract: First-principles pseudopotential calculations were performed to investigate atomic and electronic structures of titanium (Ti) dopants in...

Authors: Masahiko Morinaga, Yoshinori Murata, Hiroshi Yukawa

Abstract: A molecular orbital approach to alloy design has recently made great progress. Single crystal Ni-based superalloys and high Cr ferritic...

Authors: You Song Gu, Jian He, Zhen Ji, Xiao Yan Zhan, Yue Zhang, Cheng Zhou

Abstract: The electronic structures and magnetic properties of Fe-Pt systems were calculated by CASTEP codes, which employed density functional...

Authors: Feng Yang, Dong Liang Zhao

Abstract: The change of the electronic structure in NiAl is investigated through DVM-the first principle method when Al in NiAl is substituted by...

Authors: Masataka Mizuno, Hideki Araki, Yasuharu Shirai

Abstract: Some of intermetallic compounds exist in a wide range of concentration around the stoichiometric composition. First-principles electronic...

Authors: Yu Hong Zhao, Dong Ying Ju, Hua Hou

Abstract: With the microscopic phase-field model, the early precipitation mechanisms of the ternary Ni75AlxV25-x alloys with middle Al composition...


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