6533b857fe1ef96bd12b3966

RESEARCH PRODUCT

Monte Carlo Simulations of Alloy Phase Transformations

Kurt Binder

subject

Condensed Matter::Materials SciencePhase transitionMaterials scienceCondensed matter physicsSpinodal decompositionPhase (matter)Monte Carlo methodDynamic Monte Carlo methodMonte Carlo method in statistical physicsKinetic Monte CarloMonte Carlo molecular modeling

description

The use of Monte Carlo simulation methods for study of order-disorder phase transitions in lattice models of alloys is reviewed, with an emphasis on interfacial phenomena and the kinetics of ordering and/or phase separation. Topics discussed include the attempt to predict the phase diagram of Fe-Al alloys from recent measurements of effective interaction parameters, competition between magnetic and crystallographic ordering in such alloys, and the structure of their antiphase domain boundaries. Both an interfacial roughening transition of this domain wall and interfacial enrichment phenomena are predicted. Then simulations of alloy-vacuum surfaces are discussed, and it is shown that both cases of surface-induced disordering and of surface-induced ordering at first order transitions in alloys can be expected.

yearjournalcountryeditionlanguage
1994-01-01
https://doi.org/10.1007/978-1-4615-2476-2_32