Large-scale molecular-dynamics study of the nucleation process of martensite in Fe-Ni alloys
Open Access
- 1 November 2001
- journal article
- conference paper
- Published by EDP Sciences in Journal de Physique IV
- Vol. 11 (PR8) , Pr8-17
- https://doi.org/10.1051/jp4:2001803
Abstract
High-performance large-scale molecular-dynamics (MD) simulations provide an atomistic insight of the nucleation process in Fe80Ni20. With the MD code SPaSM (Scalable Parallel Short-range Molecular Dynamics [1]) it is possible to follow the nucleation and further growth of the martensite structure (bee) for more than one million atoms. The simulations show that the nucleation process is heterogeneous, at pre-existing defects. Further growth of the martensite structure into the austenite matrix (fee) forms a typical twin structure on the nanoscale. Analysis of energy barriers between the martensite and the austenite can be used to interpret the nucleation process.Keywords
This publication has 1 reference indexed in Scilit:
- MOLECULAR-DYNAMICS STUDY OF THIN IRON FILMS ON COPPERSurface Review and Letters, 1999