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第一性原理计算Fe元素含量对高熵合金AlCoCr-CuFexNi的影响

Release Time:2019-03-09  Hits:

Indexed by: Conference Paper

Date of Publication: 2014-08-26

Page Number: 80-80

Key Words: 高熵合金;晶体结构;生成热;密度泛函理论

Abstract:   采用第一性原理密度泛函理论,结合平面波赝势和广义梯度近似(GGA),用虚拟晶体近似(VCA)的方法建立晶体结构模型,计算了高熵合金AlCoCrCuFexNi的结构性能,弹性性能及生成热。

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