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J. Korean Ceram. Soc. > Volume 31(4); 1994 > Article
Journal of the Korean Ceramic Society 1994;31(4): 420.
산화물의 격자에너지의 새로운 계산방법
신형섭, 권순주1
가야요업대학교 세라믹공학과
1포항공과대학교 재료금속공학과
A New Method for the Oxide Lattice Energy Computation
ABSTRACT
A new method is proposed for the oxide lattice energy calculation. It is consisted of (1) setting a central and a computation domains in a real lattice, (2) calculation of inter-ionic potential producted by the associated portion of each ion to the relative domain, and (3) summing up the potential energies. Even with a slight expansion of the domain, the lattice energy converges to the published data. The method is superior than any other reported due to the simple and clear concept and the reduced computing.
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