论文标题

弹性珠的SC和BCC布置中的崩溃模式

Collapse modes in SC and BCC arrangements of elastic beads

论文作者

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

论文摘要

使用离散元素方法研究了压缩简单立方(SC)和以​​身体为中心的立方体(BCC)周期性排列的崩溃模式。在纯静水压压缩下,SC排列倾向于转化为有缺陷的六角形封闭式或无定形结构。 BCC组装表现出多种崩溃模式,其中一种被识别为CI16结构,与在高压下Li和Na的行为一致。偏离应力的存在导致通过贝途径将BCC结构转化为以面部为中心的立方体(FCC)。观察到的效果为原子系统的机械行为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有用的范式,从而扩展了在许多科学分支中广泛使用的硬球模型的能力。

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.

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