原子与分子物理学报2024，Vol.41Issue(5)：106-110,5.DOI:10.19855/j.1000-0364.2024.054002
高温高压下铁热导率的第一性原理研究
The thermal conductivity of iron under high pressure and high temperature from first-principles studies
摘要
Abstract
Thermal conductivities of iron at high pressure and temperature are key parameters to constrain the dy-namics and thermal evolution of the Earth's core.In previous investigations,the thermal conductivity is mainly attributed to the electronic conductivity,we found that the contribution of lattice vibration to thermal conductivity under high pressure cannot be ignored.The phonon dispersion,Hugoniot equation of state and thermal transport properties of iron are calculated with the lattice dynamics and Boltzmann transport theory in this work.The simu-lation temperature for iron is 3500 K near the core-mantle boundary and 6500 K at Earth's inner core condi-tions.The thermal conductivities considering lattice vibration are respectively 112 W/mK near the core-mantle boundary and 200 W/mK at Earth's inner core conditions.关键词
热导率/地球内核/高温高压/第一性原理Key words
Thermal conductivity/Earth's core/High pressure/First-principles分类
数理科学引用本文复制引用
杨陈,余柏树,焦亩鑫,杨学楠,胡翠娥,曾召益..高温高压下铁热导率的第一性原理研究[J].原子与分子物理学报,2024,41(5):106-110,5.基金项目
重庆市自然科学基金(cstc2020jcyj-msxmX0616) （cstc2020jcyj-msxmX0616）
