TY - JOUR

T1 - Modeling melting in binary systems

AU - Son, L. D.

AU - Rusakov, G. M.

AU - Patashinski, A. Z.

AU - Ratner, M. A.

N1 - We thank Boris I. Shumilo, Antoni C. Mitus and Michael V. Chertkov for many discussions on crystalline ordering. This work was supported by NASA (Grant NAG3-1932), the Chemistry Division of the ONR, and by the CAMP collaborative MVRI program of the ONR and by the NSF-DMR through the Northwestern University MRC (Grant DMR 9120521).

PY - 1998/1/1

Y1 - 1998/1/1

N2 - A coarsened model for a binary system with limited miscibility of components is proposed; the system is described in terms of structural states in small parts of the material. The material is assumed to have two alternative types of crystalline local arrangements associated with two components of the alloy. Fluctuating characteristics of a cluster are the type and the space orientation of its crystalline arrangement. There are two different phase transitions in the model system, an orientation order-disorder transition representing melting, and a phase transition between phases differing in concentration of components. Depending on the parameters characterizing the interaction in the system, this last transition may take place both in the crystalline and in the amorphous (molten) phase. A special approximation is used to study the thermodynamics of the system. The calculated phase diagram describes, at least qualitatively, the most important features of a binary system.

AB - A coarsened model for a binary system with limited miscibility of components is proposed; the system is described in terms of structural states in small parts of the material. The material is assumed to have two alternative types of crystalline local arrangements associated with two components of the alloy. Fluctuating characteristics of a cluster are the type and the space orientation of its crystalline arrangement. There are two different phase transitions in the model system, an orientation order-disorder transition representing melting, and a phase transition between phases differing in concentration of components. Depending on the parameters characterizing the interaction in the system, this last transition may take place both in the crystalline and in the amorphous (molten) phase. A special approximation is used to study the thermodynamics of the system. The calculated phase diagram describes, at least qualitatively, the most important features of a binary system.

UR - http://www.scopus.com/inward/record.url?partnerID=8YFLogxK&scp=0031677824

U2 - 10.1016/S0378-4371(97)00532-3

DO - 10.1016/S0378-4371(97)00532-3

M3 - Article

VL - 248

SP - 305

EP - 322

JO - Physica A: Statistical Mechanics and its Applications

JF - Physica A: Statistical Mechanics and its Applications

SN - 0378-4371

IS - 3-4

ER -