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OALib Journal期刊
ISSN: 2333-9721
费用：99美元
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吸附促进位错发射、运动以及裂纹扩展的分子动力学模拟
, PP. 1013-1017
Keywords: Al,Ga,分子动力学模拟,位错发射
Abstract:
根据反演法获得的对势和EAM多体势计算了纯Al位错发射的临界应力强度因子KIe以及Griffith裂纹解理扩展的临界应力强度因子KIG.结果表明,用对势算出的值和断裂力学计算结果更相近.因此,用对势来研究吸附的影响是可行的分子动力学模拟表明,Ga吸附在裂纹表面将使KIG=0.42MPa？/降至KIG=0.32MPa？/m,这表明吸附使表面能γ降至γ*(=0.58γ).Ga吸附使KIe=0.31MPa？/降至KIe=0.24MPa/;Ga吸附使位错运动的临界分切应力从Tc=2.05MPa降至Tc=1.82MPa.这就表明,Ga吸附后能降低Al的表面能,从而促进位错发射和运动.
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