Configurational free energy in order-disorder transitions from Monte Carlo calculations for systems under external fields

Article

关键词: ISING-MODEL;    2ND-NEIGHBOR INTERACTIONS;    TRANSFORMATION;    1ST-NEIGHBOR;    KINETICS;    LATTICE;    ALLOYS;   

DOI  :  10.1103/PhysRevB.60.9198

来源: SCIE

【 摘 要 】

A procedure for calculating the configurational free energy with the Monte Carlo simulation is presented, accounting for the case of the application of external fields. First, the free energy for the L1(0) ordering systems without any external fields has been evaluated for the various values of the second nearest-neighbor effective interaction, and the feature of this method has been discussed from the viewpoint of the pair correlation. Next, this method has been applied to the case of application of external fields, demonstrating the calculation of the free energy under an external stress held For the L1(0) phase that has a tetragonal distortion dependent on the long-range order parameter. [S0163-1829(99)06037-3].

【 授权许可】

Free