A generating equation for mixing rules a
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Ali Khalaf Al-Matar; David A. Rockstraw
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Article
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2004
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John Wiley and Sons
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English
โ 343 KB
A generating equation for the mixing rules of interatomic potential energy parameters is proposed. It is demonstrated that this equation can, indeed, reproduce many popular mixing rules. A weighting matrix is used with the generating equation. This weighting matrix approach is superior to the presen