Anisotropic Migration of Defects under Strain Effect in BCC Iron
The basic properties of defects （self-interstitial and vacancy） in/3CC iron under uniaxial tensile strain are investi- gated with atomic simulation methods. The formation and migration energies of them show different dependences on the directions of uniaxial tensile strain in two different computati...
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| Published in | Chinese physics letters Vol. 34; no. 7; pp. 164 - 167 |
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| Main Author | |
| Format | Journal Article |
| Language | English |
| Published |
01.06.2017
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| Subjects | |
| Online Access | Get full text |
| ISSN | 0256-307X 1741-3540 |
| DOI | 10.1088/0256-307X/34/7/076102 |
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| Summary: | The basic properties of defects （self-interstitial and vacancy） in/3CC iron under uniaxial tensile strain are investi- gated with atomic simulation methods. The formation and migration energies of them show different dependences on the directions of uniaxial tensile strain in two different computation boxes. In box-1, the uniaxial tensile strain a/ong the （1005 direction influences the formation and migration energies of the （1105 dumbbell but slightly affects the migration energy of a single vacancy. In box-2, the uniaxial tensile strain along the 〈111〉 direction influences the formation and migration energies of both vacancy and interstitials. Especially, a 〈110〉 dumbbell has a lower migration energy when its migration direction is the same or close to the strain direction, while along these directions, a vacancy has a higher migration energy. Aft these results indicate that the uniaxial tensile strain can result in the anisotropic formation and migration energies of simple defects in materials. |
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| Bibliography: | 11-1959/O4 The basic properties of defects （self-interstitial and vacancy） in/3CC iron under uniaxial tensile strain are investi- gated with atomic simulation methods. The formation and migration energies of them show different dependences on the directions of uniaxial tensile strain in two different computation boxes. In box-1, the uniaxial tensile strain a/ong the （1005 direction influences the formation and migration energies of the （1105 dumbbell but slightly affects the migration energy of a single vacancy. In box-2, the uniaxial tensile strain along the 〈111〉 direction influences the formation and migration energies of both vacancy and interstitials. Especially, a 〈110〉 dumbbell has a lower migration energy when its migration direction is the same or close to the strain direction, while along these directions, a vacancy has a higher migration energy. Aft these results indicate that the uniaxial tensile strain can result in the anisotropic formation and migration energies of simple defects in materials. Ning Gao1, Fei Gao2, Zhi-Guang Wang1 （1Laboratory of Advanced Nuclear MateriM, Institute of Modern Physics, Lanzhou 730000 2Department of Nuclear Engineering and Radiological Sciences, University of Michigan, Michigan 48109, USA） |
| ISSN: | 0256-307X 1741-3540 |
| DOI: | 10.1088/0256-307X/34/7/076102 |