Pseudoelastic Deformation in Refractory (MoW) 85 Zr 7.5(TaTi) 7.5 High-Entropy Alloy

23 Pages Posted: 11 Mar 2021

See all articles by A. Sharma

A. Sharma

United States Department of Energy, Iowa State University - Ames Laboratory

Prashant Singh

United States Department of Energy, Iowa State University - Ames Laboratory

Tanner Kirk

Texas A&M University - Department of Materials Science and Engineering

Valery I. Levitas

Iowa State University - Department of Aerospace Engineering; Iowa State University - Department of Mechanical Engineering; Government of the United States of America - Ames Laboratory

Peter K. Liaw

University of Tennessee, Knoxville - Department of Material Science and Engineering

Ganesh Balasubramanian

Lehigh University - Department of Mechanical Engineering and Mechanics

Raymundo Arroyave

Texas A&M University - Department of Materials Science and Engineering; Texas A&M University - Center for intelligent Multifunctional Materials and Structures; Texas A&M University - Department of Mechanical Engineering

Duane D. Johnson

Iowa State University - Ames Laboratory, U.S. Department of Energy

Abstract

Phase diagrams supported by density functional theory methods can be crucial for designing high-entropy alloys (HEAs). We present phase and property analysis of refractory quinary (MoW)xZry(TaTi)1-x-y HEAs from combined Calculation of Phase Diagram (CALPHAD) and density-functional theory results, supplemented by molecular dynamics (MD) simulations. Our analysis indicates a Mo-W-rich region of this quinary system has a stable single-phase body-centered-cubic (bcc). The (MoW)85Zr7.5(TaTi)7.5 was down-selected based on temperature-dependent CALPHAD phase diagram analysis and MD predicted elastic behavior that reveals twinning-assisted pseudoelastic behavior in this refractory HEA. While mostly unexplored in bcc crystals, twinning is a fundamental deformation mechanism that competes against dislocation slip in crystalline solids. 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.

Keywords: High-entropy alloy, Pseudoelasticity, DFT, CALPHAD, Molecular Dynamics

Suggested Citation

Sharma, A. and Singh, Prashant and Kirk, Tanner and Levitas, Valery I. and Liaw, Peter K. and Balasubramanian, Ganesh and Arroyave, Raymundo and Johnson, Duane D., Pseudoelastic Deformation in Refractory (MoW) 85 Zr 7.5(TaTi) 7.5 High-Entropy Alloy. Available at SSRN: https://ssrn.com/abstract=3802817 or http://dx.doi.org/10.2139/ssrn.3802817

A. Sharma

United States Department of Energy, Iowa State University - Ames Laboratory

Ames, IA 50011-2063
United States

Prashant Singh (Contact Author)

United States Department of Energy, Iowa State University - Ames Laboratory ( email )

Ames, IA 50011-2063
United States

Tanner Kirk

Texas A&M University - Department of Materials Science and Engineering ( email )

Langford Building A
798 Ross St.
College Station, TX 77843-3137
United States

Valery I. Levitas

Iowa State University - Department of Aerospace Engineering ( email )

Ames, IA
United States

Iowa State University - Department of Mechanical Engineering ( email )

Ames, IA
United States

Government of the United States of America - Ames Laboratory ( email )

Ames, IA 50011-2063
United States

Peter K. Liaw

University of Tennessee, Knoxville - Department of Material Science and Engineering ( email )

Knoxville, TN 37996
United States

Ganesh Balasubramanian

Lehigh University - Department of Mechanical Engineering and Mechanics ( email )

United States

Raymundo Arroyave

Texas A&M University - Department of Materials Science and Engineering

Langford Building A
798 Ross St.
College Station, TX 77843-3137
United States

Texas A&M University - Center for intelligent Multifunctional Materials and Structures

7607 Eastmark Dr
College Station, TX 77840
United States

Texas A&M University - Department of Mechanical Engineering

Langford Building A
798 Ross St.
College Station, TX 77843-3137
United States

Duane D. Johnson

Iowa State University - Ames Laboratory, U.S. Department of Energy ( email )

Ames, IA 50011-2063
United States

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