Understanding the effect of refractory metal chemistry on the stacking fault energy and mechanical property of Cantor-based multi-principal element alloys

Singh, Prashant; Trehern, William; Vela, Brent; Sharma, Prince; Kirk, Tanner; Pei, Zongrui; Arroyave, Raymundo; Gao, Michael C.; Johnson, Duane D.

doi:10.1016/j.ijplas.2024.104020

Understanding the effect of refractory metal chemistry on the stacking fault energy and mechanical property of Cantor-based multi-principal element alloys

Journal Article · Tue Jun 04 00:00:00 EDT 2024 · International Journal of Plasticity

DOI:https://doi.org/10.1016/j.ijplas.2024.104020· OSTI ID:2371707

Singh, Prashant ^[1]; Trehern, William ^[2]; Vela, Brent ^[3]; Sharma, Prince ^[1]; Kirk, Tanner ^[3]; Pei, Zongrui ^[4]; Arroyave, Raymundo ^[3]; Gao, Michael C. ^[2]; Johnson, Duane D. ^[1]

Ames Laboratory, and Iowa State Univ., Ames, IA (United States)
National Renewable Energy Laboratory (NREL), Golden, CO (United States)
Texas A & M Univ., College Station, TX (United States)
New York Univ. (NYU), NY (United States)

Multi-principal-element alloys (MPEAs) based on 3d-transition metals show remarkable mechanical properties. In this study, the stacking fault energy (SFE) in face-centered cubic (fcc) alloys is a critical property that controls underlying deformation mechanisms and mechanical response. Here, we present an exhaustive density-functional theory study on refractory- and copper-reinforced Cantor-based systems to ascertain the effects of refractory metal chemistry on SFE. We find that even a small percent change in refractory metal composition significantly changes SFEs, which correlates favorably with features like electronegativity variance, size effect, and heat of fusion. For fcc MPEAs, we also detail the changes in mechanical properties, such as bulk, Young's, and shear moduli, as well as yield strength. A Labusch-type solute-solution-strengthening model was used to evaluate the temperature-dependent yield strength, which, combined with SFE, provides a design guide for high-performance alloys. We also analyzed the electronic structures of two down-selected alloys to reveal the underlying origin of optimal SFE and strength range in refractory-reinforced fcc MPEAs. These new insights on tuning SFEs and modifying composition-structure-property correlation in refractory- and copper-reinforced MPEAs by chemical disorder, provide a chemical route to tune twinning- and transformation-induced plasticity behavior in fcc MPEAs.

View Accepted Manuscript (DOE)

Research Organization:: Ames Laboratory (AMES), Ames, IA (United States)

Sponsoring Organization:: National Science Foundation (NSF); USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE Office of Fossil Energy and Carbon Management (FECM); USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)

Grant/Contract Number:: AC02-07CH11358

OSTI ID:: 2371707

Report Number(s):: IS-J--11,350

Journal Information:: International Journal of Plasticity, Journal Name: International Journal of Plasticity Vol. 179; ISSN 0749-6419

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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