Thermodynamic properties of ternary alloys from Monte Carlo simulations

S. H. Lim; G. E. Murch; W. A. Oates

doi:10.1016/0022-3697(89)90397-1

Thermodynamic properties of ternary alloys from Monte Carlo simulations

S. H. Lim, G. E. Murch, W. A. Oates

Research output: Contribution to journal › Article › peer-review

5 Citations (Scopus)

Abstract

Methods are presented for obtaining both the integral and partial molar energies, entropies and free energies of the components in rigid ternary substitutional alloy systems from the one Monte Carlo simulation. Tests of the methods for some model systems are presented and discussed.

Original language	English
Pages (from-to)	1251-1259
Number of pages	9
Journal	Journal of Physics and Chemistry of Solids
Volume	50
Issue number	12
DOIs	https://doi.org/10.1016/0022-3697(89)90397-1
Publication status	Published - 1989
Externally published	Yes

Keywords

Monte Carlo
computer simulation
lattice gas
ternary alloy
thermodynamics

ASJC Scopus subject areas

Chemistry(all)
Materials Science(all)
Condensed Matter Physics

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10.1016/0022-3697(89)90397-1

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title = "Thermodynamic properties of ternary alloys from Monte Carlo simulations",

abstract = "Methods are presented for obtaining both the integral and partial molar energies, entropies and free energies of the components in rigid ternary substitutional alloy systems from the one Monte Carlo simulation. Tests of the methods for some model systems are presented and discussed.",

keywords = "Monte Carlo, computer simulation, lattice gas, ternary alloy, thermodynamics",

author = "Lim, {S. H.} and Murch, {G. E.} and Oates, {W. A.}",

year = "1989",

doi = "10.1016/0022-3697(89)90397-1",

language = "English",

volume = "50",

pages = "1251--1259",

journal = "Journal of Physics and Chemistry of Solids",

issn = "0022-3697",

publisher = "Elsevier Limited",

number = "12",

}

TY - JOUR

T1 - Thermodynamic properties of ternary alloys from Monte Carlo simulations

AU - Lim, S. H.

AU - Murch, G. E.

AU - Oates, W. A.

PY - 1989

Y1 - 1989

N2 - Methods are presented for obtaining both the integral and partial molar energies, entropies and free energies of the components in rigid ternary substitutional alloy systems from the one Monte Carlo simulation. Tests of the methods for some model systems are presented and discussed.

AB - Methods are presented for obtaining both the integral and partial molar energies, entropies and free energies of the components in rigid ternary substitutional alloy systems from the one Monte Carlo simulation. Tests of the methods for some model systems are presented and discussed.

KW - Monte Carlo

KW - computer simulation

KW - lattice gas

KW - ternary alloy

KW - thermodynamics

UR - http://www.scopus.com/inward/record.url?scp=0024875385&partnerID=8YFLogxK

U2 - 10.1016/0022-3697(89)90397-1

DO - 10.1016/0022-3697(89)90397-1

M3 - Article

AN - SCOPUS:0024875385

SN - 0022-3697

VL - 50

SP - 1251

EP - 1259

JO - Journal of Physics and Chemistry of Solids

JF - Journal of Physics and Chemistry of Solids

IS - 12

ER -

Thermodynamic properties of ternary alloys from Monte Carlo simulations

Abstract

Keywords

ASJC Scopus subject areas

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