Journal
SCIENTIFIC REPORTS
Volume 7, Issue -, Pages -Publisher
NATURE PUBLISHING GROUP
DOI: 10.1038/s41598-017-10662-x
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Funding
- Natural Science Foundation of China [11174079]
- National Basic Research Program of China (973) [2012CB921401]
- Shuguang and Innovation Program of Shanghai Education Committee
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In order to understand the defect trapping during solidification in pure elements, we have performed molecular dynamics simulations on both aluminum and nickel. We find that vacancies are the dominant defects in the product crystals for both metals. For slight undercooling, the vacancy concentration strongly depends on the growth velocity, rather than the growth orientations, and there is an approximately linear relationship between the growth velocity and vacancy concentration. However, for deep undercooling, the vacancy concentration shows a remarkable anisotropy between (100) and (110) orientations. Based on the competition between atomic diffusion and growth, a possible mechanism for vacancy trapping is suggested.
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