A kinetic Monte Carlo method for the simulation of massive phase transformations

作者：Bos C^*; Sommer F; Mittemeijer EJ

来源：Acta Materialia, 2004, 52(12): 3545-3554.

DOI：10.1016/j.actamat.2004.04.008

• massive transformation
• Monte Carlo techniques
• Austenite-ferrite transformation
• transformation kinetics

A multi-lattice kinetic Monte Carlo method has been developed for the atomistic simulation of massive phase transformations. Beside sites on the crystal lattices of the parent and product phase, randomly placed sites are incorporated as possible positions. These random sites allow the atoms to take favourable intermediate positions, essential for a realistic description of transformation interfaces. The transformation from fee to bcc starting from a flat interface with the fee(111)//bcc(110) and fcc[11 (1) over bar]//bcc[00 (1) over bar] orientation in a single component system has been simulated. Growth occurs in two different modes depending oil the chosen values of the bond energies. For larger fcc-bcc energy differences, continuous growth is observed with a rough transformation front. For smaller energy differences, plane-by-plane growth is observed. In this growth mode two-dimensional nucleation is required in the next fee plane after completion of the transformation of the previous fcc plane.

• 出版日期2004-7-12
• 单位中国科学院金属研究所