임상호 G. E. Murch W. A. Oates M. Hasebe 2024-01-22T00:14:35Z 2024-01-22T00:14:35Z 2022-01-10 1990-08 1364-2812 https://pubs.kist.re.kr/handle/201004/147071 The relations between the thermodynamic properties of the unary lattice gas and the equivalent binary substitutional and interstitial alloys are discussed. New methods for the estimation of the partial particle energy in a lattice gas from Monte Carlo simulations in both the petit and grand canonical ensembles are presented and evaluated. Taken together with well established procedures for estimating the particle chemical potential and more recent procedures for estimating the lattice gas pressure, it becomes possible, for the first time, to obtain reliable determinations of both the partial and integral quantities for internal energy, entropy and free energy at a given temperature and composition in a rigid binary alloy from the one Monte Carlo experiment in either ensemble. Some illustrative results are given for the square lattice with nearest neighbour interactions. ？ 1990 Taylor & Francis Ltd. English TAYLOR & FRANCIS Thermodynamic properties of binary alloys from monte carlo simulations Article 10.1080/13642819008226985 1 Philosophical Magazine B: Physics of Condensed Matter; Statistical Mechanics, Electronic, Optical and Magnetic Properties, v.62, no.2, pp.173 - 191 Philosophical Magazine B: Physics of Condensed Matter; Statistical Mechanics, Electronic, Optical and Magnetic Properties 62 2 173 191 N scie scopus A1990DU78800008 2-s2.0-84912931287 Materials Science, Multidisciplinary Mechanics Physics, Applied Physics, Condensed Matter Materials Science Mechanics Physics Article