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Our recent investigations (Y.-L. Liu, H.-B. Zhou, Y. Zhang, G.-H. Lu, G.-N. Luo, Comput. Mater. Sci. 50 (2011) 3213) show that impurity carbon (C) easily bonds onto vacancy internal-surface and a monovacancy is capable of trapping as many as 4 C atoms to form C n V complexes in W, but the concentration distributions of point defects such as C n V complexes are lacking. Based on first-principles...
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