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Virginia Tech

Computer simulation study of grain boundary structure in B2 NiAl

Abstract

dc:description.abstract

In an effort to understand intrinsic grain boundary brittleness, computer simulation of grain boundary structures in ordered NiAl was carried out. The considered boundaries were boundaries of low reciprocal coincident site density Σ. The structural unit model was used to obtain a general picture of the grain boundary features in NiAl. Relation between the grain boundary stoichiometry and the energy was studied and it was found that the grain boundary energy increases with a higher aluminum content in the grain boundary. Thus, excess of aluminum in the grain boundary seems to make the material brittle. The grain boundaries obtained are relatively dense and grain boundary brittleness would not be expected to originate from large interstitial holes. However, the structures computed show a large spread in energy values and it is proposed that the observed brittleness is due to the appearance of high energy structures when dislocations arrive at the boundary.

Degree

thesis:*
Name thesis:degree_name
Master of Science
Level thesis:degree_level
masters
Discipline thesis:degree_discipline
Materials Engineering
Department dc:contributor.department
Materials Engineering
Grantor dc:publisher
Virginia Tech
Year dc:date.issued
1990

Author and committee

dc:creator, dc:contributor.*
Author dc:creator
  • Petton, Guy J.

Rights

dc:rights
Statement dc:rights
  • In Copyright
Language dc:language.iso
en

Identifiers

dc:identifier.*
Dc Identifier Other
etd-03122009-040708
OAI identifier oai:identifier
oai:vtechworks.lib.vt.edu:10919/41470

Chain of custody

source
Harvested from
Virginia Tech
Base URL
vtechworks.lib.vt.edu/oai/request
Last updated
2026-07-22
Source record
OAI-PMH GetRecord
related terms
citation

Petton, Guy J.. Computer simulation study of grain boundary structure in B2 NiAl. masters thesis, Virginia Tech, 1990. http://hdl.handle.net/10919/41470