Modeling the dislocation properties and mechanical behavior of Ir, Rh, and their refractory alloys

Oleg Y. Kontsevoi; Yuri N. Gornostyrev; Arthur J. Freeman

doi:10.1007/s11837-005-0232-9

Modeling the dislocation properties and mechanical behavior of Ir, Rh, and their refractory alloys

Oleg Y. Kontsevoi^*, Yuri N. Gornostyrev, Arthur J. Freeman

^*Corresponding author for this work

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

15 Scopus citations

Abstract

While interest is growing in iridiumand rhodium-based refractory alloys as new materials for ultra-high-temperature applications, very little is known about the fundamental factors controlling their mechanical properties. Experimental difficulties with in-situ investigations of these alloys emphasize the need for theoretical modeling as an important tool for accelerated progress in this field. This article presents results of an investigation of the brittle/ductile behavior and dislocation properties in iridium, rhodium; and their L1₂ inter-metallic alloys based on first-principles total energy calculations.

Original language	English (US)
Pages (from-to)	43-47
Number of pages	5
Journal	JOM
Volume	57
Issue number	3
DOIs	https://doi.org/10.1007/s11837-005-0232-9
State	Published - Mar 2005

Funding

This work was supported by the Air Force Office of Scientific Research (under grant FA9550-04-1-0013) and computer time grants at the Naval Oceanographic Office, Arctic Region Supercomputing Center, and U.S. Army Research Laboratory.

ASJC Scopus subject areas

General Materials Science
General Engineering

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10.1007/s11837-005-0232-9

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title = "Modeling the dislocation properties and mechanical behavior of Ir, Rh, and their refractory alloys",

abstract = "While interest is growing in iridiumand rhodium-based refractory alloys as new materials for ultra-high-temperature applications, very little is known about the fundamental factors controlling their mechanical properties. Experimental difficulties with in-situ investigations of these alloys emphasize the need for theoretical modeling as an important tool for accelerated progress in this field. This article presents results of an investigation of the brittle/ductile behavior and dislocation properties in iridium, rhodium; and their L12 inter-metallic alloys based on first-principles total energy calculations.",

author = "Kontsevoi, {Oleg Y.} and Gornostyrev, {Yuri N.} and Freeman, {Arthur J.}",

note = "Funding Information: This work was supported by the Air Force Office of Scientific Research (under grant FA9550-04-1-0013) and computer time grants at the Naval Oceanographic Office, Arctic Region Supercomputing Center, and U.S. Army Research Laboratory.",

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AU - Kontsevoi, Oleg Y.

AU - Gornostyrev, Yuri N.

AU - Freeman, Arthur J.

N1 - Funding Information: This work was supported by the Air Force Office of Scientific Research (under grant FA9550-04-1-0013) and computer time grants at the Naval Oceanographic Office, Arctic Region Supercomputing Center, and U.S. Army Research Laboratory.

PY - 2005/3

Y1 - 2005/3

N2 - While interest is growing in iridiumand rhodium-based refractory alloys as new materials for ultra-high-temperature applications, very little is known about the fundamental factors controlling their mechanical properties. Experimental difficulties with in-situ investigations of these alloys emphasize the need for theoretical modeling as an important tool for accelerated progress in this field. This article presents results of an investigation of the brittle/ductile behavior and dislocation properties in iridium, rhodium; and their L12 inter-metallic alloys based on first-principles total energy calculations.

AB - While interest is growing in iridiumand rhodium-based refractory alloys as new materials for ultra-high-temperature applications, very little is known about the fundamental factors controlling their mechanical properties. Experimental difficulties with in-situ investigations of these alloys emphasize the need for theoretical modeling as an important tool for accelerated progress in this field. This article presents results of an investigation of the brittle/ductile behavior and dislocation properties in iridium, rhodium; and their L12 inter-metallic alloys based on first-principles total energy calculations.

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Modeling the dislocation properties and mechanical behavior of Ir, Rh, and their refractory alloys

Abstract

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