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

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.