Molecular dynamics simulation of surface segregation, diffusion and reaction phenomena in equiatomic Ni-Al systems

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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