- Title
- Molecular dynamics simulation of surface segregation, diffusion and reaction phenomena in equiatomic Ni-Al systems
- Creator
- Evteev, A. V.; Levchenko, E. V.; Belova, I. V.; Murch, G. E.
- Relation
- Physics of Metals and Metallography Vol. 113, Issue 13, p. 1202-1243
- Publisher Link
- http://dx.doi.org/10.1134/S0031918X12130017
- Publisher
- Springer
- Resource Type
- journal article
- Date
- 2012
- Description
- 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.
- Subject
- atomistic simulation; molecular dynamics; embeddedatom method; intermetallic compound; NiAl; surface segregation; diffusion; alloying reaction
- Identifier
- http://hdl.handle.net/1959.13/1328094
- Identifier
- uon:25820
- Identifier
- ISSN:0031-918X
- Language
- eng
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