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【求助】EAM_ALLOY怎么用？
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代博士： 请问GULP中的EAM_ALLOY文件怎么用？ 如下： EAM_ALLOY Type: Option Format: eam_alloy atom scale [flag] Units: None Default: scale=1.0 Definition This option applies a scaling transformation to the EAM method. While this has no effect on pure elements, it influences the results for alloys. The transformation is applied as: ρ'i = scalei*ρi F'(Σ ρi) = F(Σ (ρi/scalei)) where F is the unscaled function of the density. |
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