Atomistic insight into the effects of W content on the creep behaviors of NbMoTaW high-entropy alloys

XY Zhang and PH Bai and FY Wang and HT Zhao and XY Zhou and SZ Wang and JH Gao and CL Zhang and HH Wu and XP Mao, JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T, 36, 3289-3297 (2025).

DOI: 10.1016/j.jmrt.2025.03.298

As a type of refractory high-entropy alloy (RHEA), NbMoTaW shows significant potential as a high-temperature alloy material. However, studies on its high-temperature creep behavior remain limited. In this work, we investigate Nb1-xMo25Ta25Wx (x = 10, 17, 25, 33, and 40) to examine the effect of tungsten (W) content on hightemperature creep resistance. Using molecular dynamics (MD) and Monte Carlo (MC) simulations, the deformation behavior and atomic mechanisms of NbMoTaW with varying W contents under creep loading were explored. The influence of temperature, sustained stress, and W content on creep behavior were analyzed. The results reveal that increased W content enhances the solute drag effect on other solute atoms, thus hindering grain motion and improving high-temperature creep resistance. Additionally, MC swaps increase grain-interior W content, further enhancing the high- temperature creep resistance. This study provides valuable insights into the high-temperature creep mechanisms of NbMoTaW and offers strategic guidance for designing alloy materials with superior high-temperature creep resistance.

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