Deformation behavior of Mo5SiB2

N. I. Medvedeva; O. Y. Kontsevoi; A. J. Freeman; J. H. Perepezko

doi:10.1016/j.intermet.2017.07.001

Deformation behavior of Mo₅SiB₂

N. I. Medvedeva, O. Y. Kontsevoi, A. J. Freeman, J. H. Perepezko

Northwestern University

Research output: Contribution to journal › Article › peer-review

2 Citations (Scopus)

Abstract

First-principles calculations were employed to analyze the possible slip systems in Mo₅SiB₂. A striking result was obtained that the three most favorable slip systems, <100>(001), <110>(001) and [001]{010}, have close stacking fault energies, and the preference among them cannot be established. This finding explains a large variety of experimentally observed slip systems in Mo₅SiB₂. The dislocations associated with these slip systems may dissociate into partials joined with stacking faults and separated by the large splitting width of 5–6 nm.

Original language	English
Pages (from-to)	54-57
Number of pages	4
Journal	Intermetallics
Volume	90
DOIs	https://doi.org/10.1016/j.intermet.2017.07.001
Publication status	Published - Nov 2017

Keywords

Ab initio calculations
Dislocations
Molybdenum silicides
Stacking fault energy

ASJC Scopus subject areas

Chemistry(all)
Mechanics of Materials
Mechanical Engineering
Metals and Alloys
Materials Chemistry

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10.1016/j.intermet.2017.07.001

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@article{2f79b1bcdcf84909a6746db2b466bf0d,

title = "Deformation behavior of Mo5SiB2",

abstract = "First-principles calculations were employed to analyze the possible slip systems in Mo5SiB2. A striking result was obtained that the three most favorable slip systems, <100>(001), <110>(001) and [001]{010}, have close stacking fault energies, and the preference among them cannot be established. This finding explains a large variety of experimentally observed slip systems in Mo5SiB2. The dislocations associated with these slip systems may dissociate into partials joined with stacking faults and separated by the large splitting width of 5–6 nm.",

keywords = "Ab initio calculations, Dislocations, Molybdenum silicides, Stacking fault energy",

author = "Medvedeva, {N. I.} and Kontsevoi, {O. Y.} and Freeman, {A. J.} and Perepezko, {J. H.}",

note = "Funding Information: This work was supported by the AFOSR (Grant No. FA9550-07-1-0174 (Northwestern) and FA9550-11-1-201 (Wisconsin)), by computer time grants at DoD HPC centers NAVO, ASC, ERDC and MHPCC, and by ISSC URO RAN (A16-116122810214-9). Publisher Copyright: {\textcopyright} 2017 Elsevier Ltd Copyright: Copyright 2017 Elsevier B.V., All rights reserved.",

year = "2017",

month = nov,

doi = "10.1016/j.intermet.2017.07.001",

language = "English",

volume = "90",

pages = "54--57",

journal = "Intermetallics",

issn = "0966-9795",

publisher = "Elsevier Limited",

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T1 - Deformation behavior of Mo5SiB2

AU - Medvedeva, N. I.

AU - Kontsevoi, O. Y.

AU - Freeman, A. J.

AU - Perepezko, J. H.

N1 - Funding Information: This work was supported by the AFOSR (Grant No. FA9550-07-1-0174 (Northwestern) and FA9550-11-1-201 (Wisconsin)), by computer time grants at DoD HPC centers NAVO, ASC, ERDC and MHPCC, and by ISSC URO RAN (A16-116122810214-9). Publisher Copyright: © 2017 Elsevier Ltd Copyright: Copyright 2017 Elsevier B.V., All rights reserved.

PY - 2017/11

Y1 - 2017/11

N2 - First-principles calculations were employed to analyze the possible slip systems in Mo5SiB2. A striking result was obtained that the three most favorable slip systems, <100>(001), <110>(001) and [001]{010}, have close stacking fault energies, and the preference among them cannot be established. This finding explains a large variety of experimentally observed slip systems in Mo5SiB2. The dislocations associated with these slip systems may dissociate into partials joined with stacking faults and separated by the large splitting width of 5–6 nm.

AB - First-principles calculations were employed to analyze the possible slip systems in Mo5SiB2. A striking result was obtained that the three most favorable slip systems, <100>(001), <110>(001) and [001]{010}, have close stacking fault energies, and the preference among them cannot be established. This finding explains a large variety of experimentally observed slip systems in Mo5SiB2. The dislocations associated with these slip systems may dissociate into partials joined with stacking faults and separated by the large splitting width of 5–6 nm.

KW - Ab initio calculations

KW - Dislocations

KW - Molybdenum silicides

KW - Stacking fault energy

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