{"title":"Fast prediction of the melting of FeHx in planetary interiors","authors":"Tran Dinh Cuong , Anh D. Phan","doi":"10.1016/j.vacuum.2024.113857","DOIUrl":null,"url":null,"abstract":"<div><div>FeH<span><math><msub><mrow></mrow><mrow><mi>x</mi></mrow></msub></math></span> is a crucial mineral in geophysics, but its melting properties remain poorly understood at high pressures. In this Short Communication, we introduce a simple analytical model to access the solid–liquid boundary of FeH<span><math><msub><mrow></mrow><mrow><mi>x</mi></mrow></msub></math></span> with minimal time and cost. Inspired by the work-heat equivalence principle, our model allows geophysicists to effectively exploit available <em>ab initio</em> resources to directly deduce the melting temperature of FeH<span><math><msub><mrow></mrow><mrow><mi>x</mi></mrow></msub></math></span> from its equation of state. The obtained results agree quantitatively with cutting-edge atomistic simulations throughout a wide range of hydrogen content and hydrostatic pressure. Therefore, our analyses would have implications for elucidating the internal dynamics of rocky worlds within and beyond our Solar System.</div></div>","PeriodicalId":23559,"journal":{"name":"Vacuum","volume":"232 ","pages":"Article 113857"},"PeriodicalIF":3.8000,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Vacuum","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0042207X24009035","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
FeH is a crucial mineral in geophysics, but its melting properties remain poorly understood at high pressures. In this Short Communication, we introduce a simple analytical model to access the solid–liquid boundary of FeH with minimal time and cost. Inspired by the work-heat equivalence principle, our model allows geophysicists to effectively exploit available ab initio resources to directly deduce the melting temperature of FeH from its equation of state. The obtained results agree quantitatively with cutting-edge atomistic simulations throughout a wide range of hydrogen content and hydrostatic pressure. Therefore, our analyses would have implications for elucidating the internal dynamics of rocky worlds within and beyond our Solar System.
期刊介绍:
Vacuum is an international rapid publications journal with a focus on short communication. All papers are peer-reviewed, with the review process for short communication geared towards very fast turnaround times. The journal also published full research papers, thematic issues and selected papers from leading conferences.
A report in Vacuum should represent a major advance in an area that involves a controlled environment at pressures of one atmosphere or below.
The scope of the journal includes:
1. Vacuum; original developments in vacuum pumping and instrumentation, vacuum measurement, vacuum gas dynamics, gas-surface interactions, surface treatment for UHV applications and low outgassing, vacuum melting, sintering, and vacuum metrology. Technology and solutions for large-scale facilities (e.g., particle accelerators and fusion devices). New instrumentation ( e.g., detectors and electron microscopes).
2. Plasma science; advances in PVD, CVD, plasma-assisted CVD, ion sources, deposition processes and analysis.
3. Surface science; surface engineering, surface chemistry, surface analysis, crystal growth, ion-surface interactions and etching, nanometer-scale processing, surface modification.
4. Materials science; novel functional or structural materials. Metals, ceramics, and polymers. Experiments, simulations, and modelling for understanding structure-property relationships. Thin films and coatings. Nanostructures and ion implantation.