蒙特卡罗模拟识别重力下正方形硬球晶体中常见的三角形缺陷
Identification of triangular-shaped defects often appeared in hard-sphere crystals grown on a square pattern under gravity by Monte Carlo simulations
摘要：
在本文中，我们已经成功地识别了三角形缺陷结构与堆垛层错四面体。这些结构通常出现在重力下以正方形图案生长的硬球（HS）晶体中。到目前为止，我们已经在重力作用下对HS晶体进行了蒙特卡罗模拟。在正方形模板的情况下，没有看到以前在平坦壁上生长的HS晶体中观察到的单个堆垛层错。相反，在$xz$ -和$yz$ -投影中具有三角形外观的缺陷结构是可感知的。我们已经通过逐层查看确定了它们。这些结构被沿着面心立方（fcc）的堆垛层错包围{111}。此外，我们看到孤立的空位和空位-间隙对，我们发现八面体结构被沿着fcc {111}的堆垛层错包围。
英文摘要：
In this paper, we have successfully identified the triangular-shaped defect structures with stacking fault tetrahedra. These structure often appeared in hard-sphere (HS) crystals grown on a square pattern under gravity. We have, so far, performed Monte Carlo simulations of the HS crystals under gravity. Single stacking faults as observed previously in the HS crystals grown on a flat wall were not seen in the case of square template. Instead, defect structures with triangular appearance in $xz$- and $yz$- projections were appreciable. We have identified them by looking layer by layer. Those structures are surrounded by stacking faults along face-centered cubic (fcc) {111}. Also, we see isolated vacancies and vacancy-interstitial pairs, and we have found octahedral structures surrounded by stacking faults along fcc {111}.
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。
