Yue-Yue Tian, Hui-fen Zhang, Bo-Yuan Ning, Xi-Jing Ning
{"title":"Equation of State of Rhenium Under High Temperatures and Pressures Predicted by Ensemble Theory","authors":"Yue-Yue Tian, Hui-fen Zhang, Bo-Yuan Ning, Xi-Jing Ning","doi":"10.1007/s10765-025-03584-8","DOIUrl":null,"url":null,"abstract":"<div><p>The high-temperature and high-pressure equations of states (EOSs) of rhenium up to 3000 K and 900 GPa are predicted by a recently developed method in the framework of statistical ensemble theory with <i>ab initio</i> computational precision. The predicted isothermal EOSs are generally consistent with semi-empirical calculations below 150 GPa and 3000 K. Specifically, the predicted isobaric EOS at one atmosphere is in good agreement with previous experiments. Moreover, the bulk modulus obtained in this work is closer to the experimental measurements than other theoretical works. Based on our calculations, the disputes between previous experiments are analyzed, and it is expected that the EOSs predicted under extreme conditions may be verified in future experiments.</p></div>","PeriodicalId":598,"journal":{"name":"International Journal of Thermophysics","volume":"46 8","pages":""},"PeriodicalIF":2.9000,"publicationDate":"2025-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Journal of Thermophysics","FirstCategoryId":"5","ListUrlMain":"https://link.springer.com/article/10.1007/s10765-025-03584-8","RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
The high-temperature and high-pressure equations of states (EOSs) of rhenium up to 3000 K and 900 GPa are predicted by a recently developed method in the framework of statistical ensemble theory with ab initio computational precision. The predicted isothermal EOSs are generally consistent with semi-empirical calculations below 150 GPa and 3000 K. Specifically, the predicted isobaric EOS at one atmosphere is in good agreement with previous experiments. Moreover, the bulk modulus obtained in this work is closer to the experimental measurements than other theoretical works. Based on our calculations, the disputes between previous experiments are analyzed, and it is expected that the EOSs predicted under extreme conditions may be verified in future experiments.
期刊介绍：
International Journal of Thermophysics serves as an international medium for the publication of papers in thermophysics, assisting both generators and users of thermophysical properties data. This distinguished journal publishes both experimental and theoretical papers on thermophysical properties of matter in the liquid, gaseous, and solid states (including soft matter, biofluids, and nano- and bio-materials), on instrumentation and techniques leading to their measurement, and on computer studies of model and related systems. Studies in all ranges of temperature, pressure, wavelength, and other relevant variables are included.
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号
