双内态原子模型中的多态现象、热力学反常和网络形成
Polymorphism, thermodynamic anomalies and network formation in an atomistic model with two internal states
摘要：
利用分子动力学模拟，我们研究了一个简单的二维粒子质点系模型的温度-密度相图。除了平移自由度，每个粒子都有两个内部状态，并与修改后的Lennard-Jones势相互作用，该势取决于相对位置以及内部状态。我们发现，尽管它的简单性，该模型有一个丰富的相图显示了许多常见的网络形成液体，如水和二氧化硅，包括多态性和热力学异常的功能。我们相信，我们的模型可能是有用的研究有关的通用功能，这种复杂的液体。
英文摘要：
Using molecular dynamics simulations we study the temperature-density phase diagram of a simple model system of particles in two dimensions. In addition to translational degrees of freedom, each particle has two internal states and interacts with a modified Lennard-Jones potential which depends on relative positions as well as the internal states. We find that, despite its simplicity, the model has a rich phase diagram showing many features of common network-forming liquids such as water and silica, including polymorphism and thermodynamic anomalies. We believe our model may be useful for studies concerning generic features of such complex liquids.
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