摘要翻译：
我们用标准的蒙特卡罗算法研究了从6100K到2750K宽温区中二氧化硅熔体的慢速平衡动力学。我们发现，至少在与α-弛豫对应的长时间区，系统的平均动力学行为与分子动力学模拟的结果是定量一致的。相比之下，分子动力学中短时间内存在的与玻色子峰有关的强热振动被蒙特卡罗算法有效地抑制了。这使得我们可以在模式耦合理论的背景下重新考虑二氧化硅动力学，因为该理论的几个缺点以前都归因于热振动。对我们数据的模式耦合理论分析在定性上是正确的，但对该理论的定量测试失败了，这引起了人们对该系统中是否存在一个避免的奇点的怀疑。我们讨论了动态非均匀性的出现，并报告了平移扩散和结构弛豫之间的解耦以及增长的四点动态敏感性的详细测量。动态异质性似乎比更易碎的玻璃形成模型不明显，但性质没有质的不同。
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英文标题：
《Revisiting the slow dynamics of a silica melt using Monte Carlo
  simulations》
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作者：
Ludovic Berthier
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最新提交年份：
2007
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分类信息：

一级分类：Physics        物理学
二级分类：Disordered Systems and Neural Networks        无序系统与神经网络
分类描述：Glasses and spin glasses; properties of random, aperiodic and quasiperiodic systems; transport in disordered media; localization; phenomena mediated by defects and disorder; neural networks
眼镜和旋转眼镜；随机、非周期和准周期系统的性质；无序介质中的传输；本地化；由缺陷和无序介导的现象；神经网络
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一级分类：Physics        物理学
二级分类：Statistical Mechanics        统计力学
分类描述：Phase transitions, thermodynamics, field theory, non-equilibrium phenomena, renormalization group and scaling, integrable models, turbulence
相变，热力学，场论，非平衡现象，重整化群和标度，可积模型，湍流
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英文摘要：
  We implement a standard Monte Carlo algorithm to study the slow, equilibrium dynamics of a silica melt in a wide temperature regime, from 6100 K down to 2750 K. We find that the average dynamical behaviour of the system is in quantitative agreement with results obtained from molecular dynamics simulations, at least in the long-time regime corresponding to the alpha-relaxation. By contrast, the strong thermal vibrations related to the Boson peak present at short times in molecular dynamics are efficiently suppressed by the Monte Carlo algorithm. This allows us to reconsider silica dynamics in the context of mode-coupling theory, because several shortcomings of the theory were previously attributed to thermal vibrations. A mode-coupling theory analysis of our data is qualitatively correct, but quantitative tests of the theory fail, raising doubts about the very existence of an avoided singularity in this system. We discuss the emergence of dynamic heterogeneity and report detailed measurements of a decoupling between translational diffusion and structural relaxation, and of a growing four-point dynamic susceptibility. Dynamic heterogeneity appears to be less pronounced than in more fragile glass-forming models, but not of a qualitatively different nature.
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PDF链接：
https://arxiv.org/pdf/705.2783