The effects of annealing on the atomic structures of ${\text{SiO}}_2$, ${\text{GeO}}_2$, and ${\text{Ta}}_2{\mathrm{O}}_5$ are investigated using accelerated molecular dynamics (MD) simulations. Using population annealing with Boltzmann resampling to expedite the MD simulations, it is shown that annealed models demonstrate subtle but statistically significant changes in the structure. Consistent with experiments, the simulations show that effects of annealing on the atomic structures of these amorphous oxides are more pronounced in the medium-range order than in the short-range order.

中文翻译：

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使用加速分子动力学退火引起的无定形二氧化硅、日耳曼和坦塔拉的原子结构变化

退火对原子结构的影响 ${\text{二氧化硅}}_2$, ${\text{氧化锗}}_2$， 和 ${\text{塔}}_2{\mathrm{哦}}_5$使用加速分子动力学 (MD) 模拟进行研究。使用带有 Boltzmann 重采样的群体退火来加速 MD 模拟，结果表明，退火模型展示了结构的细微但统计上显着的变化。与实验一致，模拟表明退火对这些非晶氧化物的原子结构的影响在中程顺序中比在短程顺序中更显着。