Study of martensitic transformation by use of Monte-Carlo method and molecular dynamics

By use of the molecular dynamics based on a simple 8-4 Lennard-Jones type potential, we study how the stability of B2 against the martensite, in other words, how As depends drastically on one of six parameters in the potential, i.e., the interactive distance parameter. Then, we study how the same parameter is related to T-C order-disorder critical temperature in the same alloy by use of the Monte-Carlo method. By combining these studies, we show how the aging in the martensite, i.e. rubber-like behavior, depends on the relative position of As with respect to T-C. (c) 2006 Elsevier B.V. All rights reserved.