Statistical Mechanical Model of the Self-Organized Intermediate Phase in Glass-Forming Systems With Adaptable Network Topologies
Statistical Mechanical Model of the Self-Organized Intermediate Phase in Glass-Forming Systems With Adaptable Network Topologies
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DOI：
10.3389/fmats.2019.00011
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发表时间：
2019-02
影响因子：
3.2
通讯作者：
K. Kirchner;J. Mauro
中科院分区：
文献类型：
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作者：
K. Kirchner;J. Mauro
非平衡系统不断向自由能较低的状态演化。对于玻璃形成系统，最稳定的结构满足均衡性条件，其中刚性约束的数目恰好等于原子自由度的数目。系统的刚性是基于玻璃网络的拓扑结构，而玻璃网络的拓扑结构受原子性结构重排的影响。在一些具有自适应网络拓扑的系统中，可以在一系列成分上实现完美的均衡条件，即在一系列不同的结构上，从而产生优化玻璃形成的中间相。在这里，我们发展了一个统计力学模型来量化中间相的宽度，考虑了原子结构的重排来松弛局域应力并达到理想的均衡状态。
Nonequilibrium systems continuously evolve toward states with a lower free energy. For glass-forming systems, the most stable structures satisfy the condition of isostaticity, where the number of rigid constraints is exactly equal to the number of atomic degrees of freedom. The rigidity of a system is based on the topology of the glass network, which is affected by atomistic structural rearrangements. In some systems with adaptable network topologies, a perfect isostatic condition can be achieved over a range of compositions, i.e., over a range of different structures, giving rise to the intermediate phase of optimized glass formation. Here we develop a statistical mechanical model to quantify the width of the intermediate phase, accounting for the rearrangement of atomic structure to relax localized stresses and achieve an ideal, isostatic state.