Atomistic simulations of grain boundary energies in tungsten
Journal article
Authors/Editors
Strategic Research Themes
No matching items found.
Publication Details
Author list: Ratanaphan S., Boonkird T., Sarochawikasit R., Beladi H., Barmak K., Rohrer G.S.
Publisher: Elsevier
Publication year: 2017
Journal: Materials Letters (0167-577X)
Volume number: 186
Start page: 116
End page: 118
Number of pages: 3
ISSN: 0167-577X
Languages: English-Great Britain (EN-GB)
View in Web of Science | View on publisher site | View citing articles in Web of Science
Abstract
The energies of grain boundaries in tungsten were calculated using embedded atom method simulations. The energies of 408 boundaries with 80 different misorientations, and a range of different boundary plane orientations, were calculated. The boundary energy depended on the lattice misorientation and the plane orientation. A comparison between the calculated boundary energy and the measured boundary population in nanocrystalline tungsten revealed that the boundary energy and population are inversely correlated. This inverse relationship reported here for this nanocrystalline metal is consistent with the Boltzmann-like distribution between grain boundary population and energy reported for metals and ceramics with microcrystalline grains. ฉ 2016 Elsevier B.V.
Keywords
Atomistic simulation, Grain boundary structure, Nanocrystalline tungsten
Contact Information