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  5. Prediction of the fine microstructure and mechanical properties of alloy phase and compound based on

Prediction of the fine microstructure and mechanical properties of alloy phase and compound based on

来源 :1st International Conference on Computational Design and Sim | 被引量 : 0次 | 上传用户：I_want_to
【摘 要】
：
The site preference of alloy elements on sublattice is of both fundamental and technical importance in computational materials science.For example, the site preference gives hints to establish the sub
【作 者】
：
Bo Wu Qiong Peng Dengxian Liu Zhenyi Wei Baisheng Sa Yuan Fang 
【机 构】
：
Multiscale Computational Materials Facility, College of Materials Science and Engineering,Fuzhou Uni
【出 处】
：
1st International Conference on Computational Design and Sim
【发表日期】
：
2015年9期
【关键词】
：
Complex alloy phase Site preference Elastic properties Thermodynamic modeling Ab 
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　　The site preference of alloy elements on sublattice is of both fundamental and technical importance in computational materials science.For example, the site preference gives hints to establish the sublattice model in so-called CALPHAD approach;it also guides the distribution of the atom position before carrying out an ab initio calculation.
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