稀有气体元素的固液共存. II. 氖、氪和氙
Solid-liquid coexistence of the noble elements. II. Neon, krypton and xenon
AI总结:
本研究基于隐藏尺度不变性,使用SAAP势和ab initio计算,探讨了氖、氩、氪和氙的固液共存,发现可预测其共存线上的形状与性质变化。
摘要:
稀有气体元素构成了周期表中最简单的一族。在低温或高压下,液相会凝固成面心立方晶体结构(除氦以外)。在配套论文中,我们从隐藏尺度不变性的角度研究了氩的fcc固液共存。在此,我们将研究扩展到氖、氩、氪和氙。计算使用了SAAP势,该势由Deiters和Sadus [J. Chem. Phys 150, 134504 (2019)]提出,源自精确的ab initio计算。这些系统在所研究的相图区域中表现出隐藏尺度不变性,这使得预测固液共存线上的形状和性质变化成为可能。
英文摘要:
The noble elements constitute the simplest group in the periodic table. At low temperatures or high pressures, the liquid phase solidifies into a face-centered cubic crystal structure (except helium). In the companion paper, we investigated the fcc solid-liquid coexistence of argon in the light of hidden scale invariance. Here we extend the investigation to neon, argon, krypton, and xenon. Computations are done using the SAAP potential, suggested by Deiters and Sadus [J. Chem. Phys 150, 134504 (2019)], derived from accurate ab initio calculations. The systems exhibit hidden scale invariance in the investigated part of the phase diagram, which makes it possible to predict the shape and property variations along the solid-liquid coexistence lines.
机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。