Semerianov F, Gujrati P D
Department of Physics, Department of Polymer Science, The University of Akron, Ohio 44311, USA.
Phys Rev E Stat Nonlin Soft Matter Phys. 2005 Jul;72(1 Pt 1):011102. doi: 10.1103/PhysRevE.72.011102. Epub 2005 Jul 7.
We discuss the need for discretization to evaluate the configurational entropy in a general model. We also discuss the prescription using restricted partition function formalism to study the stationary limit of metastable states where a more stable equilibrium state exists. We introduce a lattice model of dimers as a paradigm of molecular fluid and study stationary metastability in it to investigate the root cause of glassy behavior. We demonstrate the existence of entropy crisis in metastable states, from which it follows that the entropy crisis is the root cause underlying the ideal glass transition in systems with particles of all sizes. The orientational interactions in the model control the nature of the liquid-liquid transition observed in recent years in molecular glasses.
我们讨论了在一般模型中进行离散化以评估构型熵的必要性。我们还讨论了使用受限配分函数形式来研究存在更稳定平衡态的亚稳态的稳态极限的方法。我们引入了一个二聚体晶格模型作为分子流体的范例，并研究其中的稳态亚稳性，以探究玻璃态行为的根本原因。我们证明了亚稳态中熵危机的存在，由此可知熵危机是所有尺寸粒子系统中理想玻璃转变的根本原因。模型中的取向相互作用控制了近年来在分子玻璃中观察到的液 - 液转变的性质。
