{"title":"Continuum Simulation of the Elastic Behavior of Nanosized Diamond Single Crystals","authors":"V. I. Kushch","doi":"10.3103/S1063457623010069","DOIUrl":null,"url":null,"abstract":"<p>Two continuum models are proposed for predicting stress fields and elastic properties of nanosized diamond monocrystals. The first model is a boundary value problem of the elasticity theory formulated for a sphere with a thin shell, which ensures consideration of the effect of the free surface energy on the elastic behavior of a diamond nanocrystal. In the second model, the surface energy is taken into account through the boundary condition in accordance with the Gurtin–Murdoch theory of material surfaces. The geometric and material parameters of the models are determined by comparison with the results of classical molecular dynamics. A parametric analysis of the developed models is carried out, and the trends in the influence of the nanoparticle size on the lattice parameter, stress concentration, and bulk elastic modulus of diamond are determined.</p>","PeriodicalId":670,"journal":{"name":"Journal of Superhard Materials","volume":"45 1","pages":"1 - 9"},"PeriodicalIF":1.2000,"publicationDate":"2023-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Superhard Materials","FirstCategoryId":"88","ListUrlMain":"https://link.springer.com/article/10.3103/S1063457623010069","RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
Two continuum models are proposed for predicting stress fields and elastic properties of nanosized diamond monocrystals. The first model is a boundary value problem of the elasticity theory formulated for a sphere with a thin shell, which ensures consideration of the effect of the free surface energy on the elastic behavior of a diamond nanocrystal. In the second model, the surface energy is taken into account through the boundary condition in accordance with the Gurtin–Murdoch theory of material surfaces. The geometric and material parameters of the models are determined by comparison with the results of classical molecular dynamics. A parametric analysis of the developed models is carried out, and the trends in the influence of the nanoparticle size on the lattice parameter, stress concentration, and bulk elastic modulus of diamond are determined.
期刊介绍：
Journal of Superhard Materials presents up-to-date results of basic and applied research on production, properties, and applications of superhard materials and related tools. It publishes the results of fundamental research on physicochemical processes of forming and growth of single-crystal, polycrystalline, and dispersed materials, diamond and diamond-like films; developments of methods for spontaneous and controlled synthesis of superhard materials and methods for static, explosive and epitaxial synthesis. The focus of the journal is large single crystals of synthetic diamonds; elite grinding powders and micron powders of synthetic diamonds and cubic boron nitride; polycrystalline and composite superhard materials based on diamond and cubic boron nitride; diamond and carbide tools for highly efficient metal-working, boring, stone-working, coal mining and geological exploration; articles of ceramic; polishing pastes for high-precision optics; precision lathes for diamond turning; technologies of precise machining of metals, glass, and ceramics. The journal covers all fundamental and technological aspects of synthesis, characterization, properties, devices and applications of these materials. The journal welcomes manuscripts from all countries in the English language.
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