Molecular dynamics simulation of surface segregation, diffusion and reaction phenomena in equiatomic Ni-Al systems |
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| Authors: | A V Evteev E V Levchenko I V Belova G E Murch |
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| Affiliation: | 1. The University Centre for Mass and Thermal Transport in Engineering Materials Priority Research Centre for Geotechnical and Materials Modelling School of Engineering The University of Newcastle Callaghan, NSW, 2308, Australia
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| Abstract: | The molecular dynamics method is used to provide fundamental insights into surface segregation, bulk diffusion and alloying reaction phenomena in equiatomic Ni-Al systems. This knowledge can serve as a guide for the search and development of economic routes for controlling microstructure and properties of the intermetallic compound NiAl. This paper gives an overview of recent molecular dynamics simulations in the area along with other theoretical calculations and experimental measurements. |
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