Liping ZHENG
,
Shi QIU
,
Liping YU
,
Huyong ZHANG
,
Bingyao JING
,
Douxing LI
材料科学技术（英）
The embedded atom method(EAM) is applied to calculate concentration distributions of Zr, Ni and Al at a Ni3Al-3 at. pct Zr grain boundary, and the Zr-induced distortion energies at the grain boundary, the bulk and the free surface. The calculated concentration distributions show that Zr segregation is present with Al-depletion and Ni-enrichment at the grain boundary. The reason might be that at the same zone, the Zr-induced distortion energy in the site of Al is always negative and lower than that of Ni, and that the Zr-induced distortion energy in the Al site at the grain boundary is the lowest among those at all zones.
关键词:
Liping ZHENG
,
Shi QIU
,
Yukui ZHOU
,
Risheng LI
材料科学技术（英）
A molecular dynamics simulation has been used to study zero-fluence and low-bombarding-energy 63Cu-65Cu sputtering. Calculations show that the isotopic ratios at both θ≤35° and θ>35°, and the total isotopic ratio increase when the bombarding energy decreases. This result might imply the existence of the bombarding-energy-dependent momentum asymmetry.
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