硬立方体中空位稳定的晶序
Vacancy-stabilized crystalline order in hard cubes
摘要：
利用事件驱动分子动力学和蒙特卡罗模拟研究了空位对由硬立方体组成的系统的相行为和结构的影响。我们发现一个流体和一个简单的立方晶相，是由一个令人惊讶的大量的空缺，达到净空位浓度约6.4%的散装共存稳定之间的一阶相变。值得注意的是，我们发现，空位增加了系统中的位置顺序。最后，我们表明，空缺是离域的，因此很难检测。
英文摘要：
We examine the effect of vacancies on the phase behavior and structure of systems consisting of hard cubes using event-driven molecular dynamics and Monte Carlo simulations. We find a first-order phase transition between a fluid and a simple cubic crystal phase that is stabilized by a surprisingly large number of vacancies, reaching a net vacancy concentration of ~6.4% near bulk coexistence. Remarkably, we find that vacancies increase the positional order in the system. Finally, we show that the vacancies are delocalized and therefore hard to detect.
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。
