Ab Initio DFT Study of Ideal Shear Strength of Polytypes of Silicon Carbide

Y. Umeno; Y. Kinoshita; T. Kitamura

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Ab Initio DFT Study of Ideal Shear Strength of Polytypes of Silicon Carbide

机译：从头开始DFT理想的抗剪强度的研究多型体的碳化硅

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Ab initio density functional calculations are performed to investigate the ideal shear deformation of SiC polytypes (3C, 2H, 4H, and 6H). The deformation of the cubic and the hexagonal polytypes in small strain region can be well represented by the elastic properties of component Si{sub}4C-tetrahedrons. The stacking pattern in the polytypes affects strain localization, which is correlated with the generalized stacking fault (GSF) energy profile of each shuffle-set plane, and the ideal shear strength. Compressive hydrostatic stress decreases the ideal shear strength, which is in contrast with the behavior of metals.

机译：从头开始是密度泛函计算进行探讨理想的剪切原文如此多型体的变形(3 c、2 h, 4 h,6 h)。六角多型体在小应变区域由的弹性性质如果{子}4 c-tetrahedrons组件。在多种类型的模式影响应变定位,这是相关的广义堆垛层错(—)能源配置文件每个shuffle-set平面,理想的剪切的力量。理想的抗剪强度下降,这是与金属的行为。

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《Проблемы прочностиПроблемы прочности: на рус．укр．и анг．языках》 |2008年第1期|8-13|共6页
作者
Y. Umeno; Y. Kinoshita; T. Kitamura;
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正文语种英语
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关键词
polytypism; SILICON CARBIDE; Shear StrengthIdealAb initio methodsab initio calculationsStrain localizationShear deformation;

机译：多型性;碳化硅;剪切StrengthIdealAb在卷首methodsab在卷首calculationsStrainlocalizationShear变形;

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Ab Initio DFT Study of Ideal Shear Strength of Polytypes of Silicon Carbide

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