Thermodynamical stability and mechanical properties of tungsten based alloys

Abstract

Presented work investigates structural, mechanical, and thermodynamic properties and phase stability of binary tungsten-based alloys of chromium, molybdenum, and rhenium, using the first-principles calculations. It is motivated by the possibility that these alloys could be prospective candidates to replace pure tungsten in first wall applications in fusion reactors since pure tungsten is very susceptible to oxidation at temperatures above 800~K, and therefore needs to be alloyed with an element that would increase the oxidation resistance of the resulting material. Among the results are the thermodynamical instability of all analyzed alloys at 0~K. Properties known experimentally or theoretically had been verified by the work to show the correctness of used methods. The properties that were unknown had been calculated theoretically, especially for alloys of chromium and tungsten.