Atomistic modeling of the interaction between self-interstitial dislocation loops and He in bcc Fe

Shim JH; Kwon SC; Kim WW; Wirth BD

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Atomistic modeling of the interaction between self-interstitial dislocation loops and He in bcc Fe

机译：自间隙位错环与氦在密件抄送铁中相互作用的原子建模

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The effect of a helium atom on the migration of self-interstitial dislocation loops with a Burgers vector 1/2 (1 1 1) in bcc Fe has been investigated using molecular statics and molecular dynamics simulations. It is found that an interstitial He atom hinders the migration and coalescence behavior of dislocation loops by strongly binding to the loop on the edge sites. An unstable interstitial He atom on the loop plane easily moves to the stable edge sites by interstitial diffusion. A substitutional He atom does not significantly disturb the migration of dislocation loops, showing weak binding. (c) 2007 Elsevier B.V. All rights reserved.

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《Journal of Nuclear Materials: Materials Aspects of Fission and Fusion》 |2007年第1期|共6页
作者
Shim JH; Kwon SC; Kim WW; Wirth BD;
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正文语种 eng
中图分类原子能技术;
关键词
HELIUM-VACANCY CLUSTERS; COMPUTER-SIMULATION; IRON;

机译：氦空位群;计算机模拟;铁;

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3. Atomistic modeling of the interaction between self-interstitial dislocation loops and He in bcc Fe [J] . Shim JH, Kwon SC, Kim WW, Journal of Nuclear Materials: Materials Aspects of Fission and Fusion . 2007,第1期

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Atomistic modeling of the interaction between self-interstitial dislocation loops and He in bcc Fe

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