{"title":"用统计矩法研究立方氮化硼的热力学性质和弹性常数","authors":"","doi":"10.1016/j.vacuum.2024.113663","DOIUrl":null,"url":null,"abstract":"<div><div>The statistical moment method has been applied to investigate temperature effects on the thermodynamic and elastic properties of the cubic boron nitride (cBN). The analytical expressions of thermal-induced atomic displacement, the mean-square displacement, elastic constants (Young’s modulus, bulk modulus, shear modulus, and longitudinal-wave elastic constant), and the bulk and longitudinal sound velocities of cBN compound have been derived. Our theoretical calculations are compared with previous experiments and computations showing reasonable agreement. We have shown that while the mechanical strength and Debye temperature of the cBN material are slightly reduced as temperature rises, the mean-square displacement function increases rapidly. The noticeable difference in mean-square displacements of B isotopes is observed at low temperature, and the disparity diminishes gradually at high temperatures. The calculations of the present work can be used as an appropriate reference for the future experiments.</div></div>","PeriodicalId":23559,"journal":{"name":"Vacuum","volume":null,"pages":null},"PeriodicalIF":3.8000,"publicationDate":"2024-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Study of thermodynamic properties and elastic constants of cubic boron nitride by statistical moment method\",\"authors\":\"\",\"doi\":\"10.1016/j.vacuum.2024.113663\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The statistical moment method has been applied to investigate temperature effects on the thermodynamic and elastic properties of the cubic boron nitride (cBN). The analytical expressions of thermal-induced atomic displacement, the mean-square displacement, elastic constants (Young’s modulus, bulk modulus, shear modulus, and longitudinal-wave elastic constant), and the bulk and longitudinal sound velocities of cBN compound have been derived. Our theoretical calculations are compared with previous experiments and computations showing reasonable agreement. We have shown that while the mechanical strength and Debye temperature of the cBN material are slightly reduced as temperature rises, the mean-square displacement function increases rapidly. The noticeable difference in mean-square displacements of B isotopes is observed at low temperature, and the disparity diminishes gradually at high temperatures. The calculations of the present work can be used as an appropriate reference for the future experiments.</div></div>\",\"PeriodicalId\":23559,\"journal\":{\"name\":\"Vacuum\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":3.8000,\"publicationDate\":\"2024-09-26\",\"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/S0042207X24007097\",\"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}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Vacuum","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0042207X24007097","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}
Study of thermodynamic properties and elastic constants of cubic boron nitride by statistical moment method
The statistical moment method has been applied to investigate temperature effects on the thermodynamic and elastic properties of the cubic boron nitride (cBN). The analytical expressions of thermal-induced atomic displacement, the mean-square displacement, elastic constants (Young’s modulus, bulk modulus, shear modulus, and longitudinal-wave elastic constant), and the bulk and longitudinal sound velocities of cBN compound have been derived. Our theoretical calculations are compared with previous experiments and computations showing reasonable agreement. We have shown that while the mechanical strength and Debye temperature of the cBN material are slightly reduced as temperature rises, the mean-square displacement function increases rapidly. The noticeable difference in mean-square displacements of B isotopes is observed at low temperature, and the disparity diminishes gradually at high temperatures. The calculations of the present work can be used as an appropriate reference for the future experiments.
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.