Pseudoelastic deformation in Mo-based refractory multi-principal element alloys

Sharma, A.; Singh, P.; Kirk, T.; Levitas, V. I.; Liaw, P. K.; Balasubramanian, G.; Arroyave, R.; Johnson, Duane D.

doi:10.1016/j.actamat.2021.117299

Title: Pseudoelastic deformation in Mo-based refractory multi-principal element alloys

Journal Article · 08 September 2021 · Acta Materialia

DOI: https://doi.org/10.1016/j.actamat.2021.117299 · OSTI ID:1819749

Sharma, A. ^[1];

^[2]; Kirk, T. ^[3]; Levitas, V. I. ^[4]; Liaw, P. K. ^[5]; Balasubramanian, G. ^[6]; Arroyave, R. ^[3];

^[2]

Ames Lab., and Iowa State Univ., Ames, IA (United States); Sandvik Coromant R&D, Stockholm (Sweden)
Ames Lab., and Iowa State Univ., Ames, IA (United States)
Texas A & M Univ., College Station, TX (United States)
Iowa State Univ., Ames, IA (United States)
Univ. of Tennessee, Knoxville, TN (United States)
Lehigh Univ., Bethlehem, PA (United States)

Phase diagrams supported by density functional theory methods can be crucial for designing high-entropy alloys that are subset of multi-principal-element alloys. We present phase and property analysis of quinary (MoW)_xZr_y(TaTi)_1-x-y refractory high-entropy alloys from combined Calculation of Phase Diagram (CALPHAD) and density-functional theory results, supplemented by molecular dynamics simulations. Both CALPHAD and density-functional theory analysis of phase stability indicates a Mo-W-rich region of this quinary has a stable single-phase body-centered-cubic structure. We report first quinary composition from Mo-W-Ta-Ti-Zr family of alloy with pseudo-elastic behavior, i.e., hysteresis in stress-strain. Our analysis shows that only Mo-W-rich compositions of Mo-W-Ta-Ti-Zr, i.e., Mo+W, show reproducible hysteresis in stress-strain responsible for pseudo-elastic behavior. The (MoW)₈₅Zr_7.5(TaTi)_7.5 was down-selected based on temperature-dependent phase diagram analysis and molecular dynamics simulations predicted elastic behavior that reveals twinning-assisted pseudoelastic behavior. While mostly unexplored in body-centered-cubic crystals, twinning is a fundamental deformation mechanism that competes against dislocation slip in crystalline solids. Furthermore, this alloy shows identical cyclic deformation characteristics during uniaxial < 100 > loading, i.e., the pseudoelasticity is isotropic in loading direction. Additionally, a temperature increase from 77 to 1,500 K enhances the elastic strain recovery in load-unload cycles, offering possibly control to tune the pseudoelastic behavior.

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

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division

Grant/Contract Number:: AC02-07CH11358

OSTI ID:: 1819749

Report Number(s):: IS--J-10,590

Journal Information:: Acta Materialia, Journal Name: Acta Materialia Vol. 220; ISSN 1359-6454

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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36 MATERIALS SCIENCE
CALPHAD
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Pseudoelasticity

Title: Pseudoelastic deformation in Mo-based refractory multi-principal element alloys

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