First-Order Liquid-Liquid Phase Transition in Compressed Nitrogen

被引：106

作者：

Boates, Brian ^{[1
]}

Bonev, Stanimir A. ^{[1
]}

机构：

[1] Dalhousie Univ, Dept Phys, Halifax, NS B3H 3J5, Canada

来源：

PHYSICAL REVIEW LETTERS | 2009年 / 102卷 / 01期

基金：

加拿大自然科学与工程研究理事会;

关键词：

SOLID NITROGEN; HIGH-PRESSURES; TRANSFORMATION; METASTABILITY; METALS;

D O I：

10.1103/PhysRevLett.102.015701

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We report results of first-principles molecular dynamics simulations, which predict a first-order phase transition from molecular to polymeric liquid nitrogen. The liquid-liquid phase boundary is near 88 GPa along the 2000 K isotherm and has a critical point between 4000 and 5000 K and 50 to 75 GPa. At higher temperatures, molecular nitrogen undergoes temperature-driven dissociation to an atomic liquid. The nature of the liquid-liquid transition and the structure of the new polymeric phase are characterized, and ways to experimentally confirm our findings are proposed.

引用

页数：4

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