STABILITY STUDY OF THE METAL A1 BY THE MODIFIED-EMBEDDED-ATOM METHOD

CHINESE JOURNAL OF COMPUTATIONAL PHYSICS ›› 1995, Vol. 12 ›› Issue (3): 320-324.

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STABILITY STUDY OF THE METAL A1 BY THE MODIFIED-EMBEDDED-ATOM METHOD

Nie Xi Liang¹, Wang Renhui¹, Ye Yiying², Yin Jian³

1. Department of Physics, Wuhan University, Wuhan 430072;
2. Center of instrumental Analysis, Wyhan 430072;
3. Department of Computer Science, Wuhan University, Wuhan 430072

Received:1993-11-02 Online:1995-09-25 Published:1995-09-25

Abstract

Abstract: The cohesive energy, stack fault energy and examined it's stability have been calculated by the means of the EAM and the ME AM in the present paper. The calculated results are in good agreement with the existing experimental results and calculated results. According to the works, the authors consider that the atomic electron density is a superposition of outer electron density of all free atoms, instead of the analytical fit in the MEAM.

Key words: EAM, MEAM, Stack fault energy

CLC Number:

O484

Nie Xi Liang, Wang Renhui, Ye Yiying, Yin Jian. STABILITY STUDY OF THE METAL A1 BY THE MODIFIED-EMBEDDED-ATOM METHOD[J]. CHINESE JOURNAL OF COMPUTATIONAL PHYSICS, 1995, 12(3): 320-324.

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