Atomic structure of the σ = 5, (310)[001] grain boundary in NiAl: A combined electron microscopy and theoretical study
作者:
R.W. Fonda,
M. Yan,
D.E. Luzzi,
期刊:
Philosophical Magazine Letters
(Taylor Available online 1995)
卷期:
Volume 71,
issue 4
页码: 221-228
ISSN:0950-0839
年代: 1995
DOI:10.1080/09500839508241285
出版商: Taylor & Francis Group
数据来源: Taylor
摘要:
The atomic structure of the σ= 5, (310)[001] grain boundary in NiAl has been determined by a synergistic approach using high-resolution electron microscopy and atomistic structure calculations. These calculations employ N-body empirical potentials which were developed for the NiAl phase. A minimum-energy structure was determined which produced calculated images which matched experimental images of the boundary. The change in interfacial energy due to various defects at the grain boundary was also examined. This is the, first concurrent application of experimental and theoretical structure determinations to a grain boundary in an intermetallic compound.
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