Atomistic prediction of plane stress behavior of glassy thermosets

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• 作者：James C. Moller^a ; ^{mollerjc@miamioh.edu} ; Gary S. Kedziora^b ; Stephen A. Barr^c ; Timothy D. Breitzman^c ; Rajiv J. Berry^c
• 关键词：Atomistic simulation ; Plane stress ; Glassy thermosets
• 刊名：Computational Materials Science
• 出版年：2017
• 出版时间：15 February 2017
• 年：2017
• 卷：128
• 期：Complete
• 页码：257-277
• 全文大小：12638 K
• 卷排序：128

文摘

New algorithm for realistic application of plane stress to an atomistic system. Yield results match continuum-scale experiments and commonly-used continuum theories. Dilatation in first σ1 − σ2 quadrant plays a strong role in yield and rupture. Differences in load cases reflected in free volume, energy partition, strained bonds. Atom stress concentration in tensile rupture consistent with Peterlin’s theory.