Non-monotonic pressure dependence of the dynamics of soft glass-formers at high compressions

Non-monotonic pressure dependence of the dynamics of soft glass-formers at high compressions
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高压缩下软玻璃形成体动力学的非单调压力依赖性

DOI:
10.1039/c2sm26510a
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发表时间:
2012-06
期刊:
影响因子:
3.4
通讯作者:
Xu, Ning
Xu, Ning
中科院分区:
化学2区
文献类型:
--
作者:
Wang, Lijin;Wang, Lijin;Duan, Yiheng;Duan, Yiheng;Xu, Ning;Xu, Ning

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在通过排斥相互作用的软玻璃形成剂相互作用的分子动力学模拟中,我们发现玻璃过渡温度,动力学异质性和玻璃脆弱性在相同的交叉压力下达到其最大值,PD。我们对零的分析
In molecular dynamics simulations of soft glass-formers interacting via repulsions, we find that the glass transition temperature, dynamical heterogeneity, and glass fragility reach their maxima at the same crossover pressure, Pd. Our analysis of the zero-temperature jammed states indicates that states at Pd have the highest bond orientational order with the largest spatial fluctuation. Correspondingly, the low-frequency normal modes of vibration are the least localized and the average potential energy barrier along these modes is highest for jammed states in the vicinity of Pd. The re-entrant glass transition and dynamics of supercooled liquids are thus predictable by these structural and vibrational precursors in the zero-temperature jammed states.
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