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DESIGN METHOD FOR HIGH ENTROPY ALLOYS USING COMPUTER SIMULATION METHOD

机译:基于计算机模拟的高熵合金设计方法

摘要

The present invention relates to a design method of a high-entropy alloy having a FCC single-phase structure using a computer simulation technique and capable of predicting a difference in strength according to alloy composition in advance. The method of designing a high-entropy alloy according to the present invention includes predicting a CRSS value of an alloy having a specific composition using a computational simulation technique; Obtaining an equation for predicting a CRSS value by assuming an effect of each element of the alloy having the specific composition on a CRSS value; Comparing the CRSS value predicted by the computational simulation technique with the value calculated by the equation; And when the difference between the CRSS value predicted by the computer simulation method and the CRSS value calculated by the formula is within a predetermined range, predicting the strength of the alloy having the specific composition through the formula.
机译:本发明涉及使用计算机模拟技术的具有FCC单相结构并且能够根据合金成分预先预测强度差的高熵合金的设计方法。根据本发明的设计高熵合金的方法包括:使用计算模拟技术来预测具有特定组成的合金的CRSS值;以及将所述合金的CRSS值预测为0。通过假设具有特定组成的合金的每种元素对CRSS值的影响,获得用于预测CRSS值的方程式;将通过计算仿真技术预测的CRSS值与通过方程式计算的值进行比较;并且,当通过计算机模拟方法预测的CRSS值与通过公式计算出的CRSS值之间的差在预定范围内时,通过该公式预测具有特定组成的合金的强度。

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