The structures and properties of disordered systems are very challenging in material science. In the present first-principles molecular dynamics study, the results show that the liquid gold at 2000 K undergoes a continuous liquid–liquid transition under pressure. The icosahedral short range order was found to be initially enhanced by compression and then started to decay and became less dominant. At 18 GPa, it was solidified and became a crystal. The present theoretical results provide a new perspective to understand the evolution of the atomic packing in liquid metals under compression and may be generalized for other disordered systems.

中文翻译：

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液态金在压力下的结构和动力学性质

在材料科学中，无序系统的结构和性质非常具有挑战性。在目前的第一性原理分子动力学研究中，结果表明，在2000 K压力下，液态金经历了连续的液-液转变。发现二十面体的短程有序性最初通过压缩而增强，然后开始衰减并变得不那么占优势。在18 GPa时，它固化并变成晶体。目前的理论结果为理解压缩状态下液态金属中原子堆积的演化提供了新的视角，并可能被推广用于其他无序系统。