arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 2004.11888cond-mat.softcond-mat.mtrl-sci
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弹性珠SC和BCC排列中的塌陷模式

Collapse modes in SC and BCC arrangements of elastic beads

Igor A. Ostanin, Artem R. Oganov, Vanessa Magnanimo

摘要:

采用离散元方法对压缩简立方和体心立方周期排列的弹性无摩擦小球的塌陷模式进行了数值研究。在纯流体静力压缩下,SC排列倾向于转变成有缺陷的六方密堆积或无定形结构。体心立方组装体表现出几种塌陷模式,其中一种被确定为cI16结构,与体心立方金属Li和Na在高压下的行为一致。偏应力的存在导致BCC结构通过Bain路径转变为面心立方(FCC)结构,这为原子系统力学行为的起源提供了重要的见解,而我们工作中使用的弹性球模型可以成为一个有用的范例,扩展广泛应用于许多科学分支的硬球模型的能力。

英文摘要:

Collapse modes in compressed simple cubic (SC) and body-centered cubic (BCC) periodic arrangements of elastic frictionless beads were studied numerically using the discrete element method. Under pure hydrostatic compression, the SC arrangement tends to transform into a defective hexagonal close-packed or amorphous structure. The BCC assembly exhibits several modes of collapse, one of which, identified as cI16 structure, is consistent with the behavior of BCC metals Li and Na under high pressure. The presence of a deviatoric stress leads to the transformation of the BCC structure into face-centered cubic (FCC) one via the Bain path. The observed effects provide important insights on the origins of mechanical behavior of atomic systems, while the elastic spheres model used in our work can become a useful paradigm, expanding the capabilities of a hard sphere model widely used in many branches of science.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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