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Title: Intrinsic ductility of random substitutional alloys from nonlinear elasticity theory

Abstract

A method suitable for computing the ideal strength of random substitutional alloys is introduced. The method relies on nonlinear continuum elasticity theory and allows for the high-throughput computation of ideal strength. The method also allows for the high-throughput computation of an intrinsic ductility parameter defined for a given applied stress state as the ratio of the strain associated with the cleavage instability to the strain associated with the first shear instability. The intrinsic ductility parameter is shown to correlate well with the measured elongations to failure for elemental body-centered-cubic and hexagonal close-packed metals. Application to four high-entropy alloys indicates that the intrinsic ductility parameter describes their experimental compressions to failure well. The method is used to argue that the brittle refractory high-entropy alloy Ta-Nb-V-W-Mo could be made much more ductile through replacement of Mo with Nb. Finally, the potential for the high-throughput optimization of high entropy and chemically complex alloys is discussed.

Authors:
ORCiD logo [1];  [2];  [3];  [4];  [5]
  1. Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
  2. Univ. of California, Berkeley, CA (United States); SpaceX, Hawthorne, CA (United States)
  3. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  4. Univ. of California, Berkeley, CA (United States)
  5. Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Publication Date:
Research Org.:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; US Department of the Navy, Office of Naval Research (ONR)
OSTI Identifier:
1618199
Report Number(s):
LLNL-JRNL-794470
Journal ID: ISSN 2475-9953; PRMHAR; 994772; TRN: US2200931
Grant/Contract Number:  
AC52-07NA27344; AC02-05CH11231; N00014-16-1-2304
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Materials
Additional Journal Information:
Journal Volume: 3; Journal Issue: 11; Journal ID: ISSN 2475-9953
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ductility; elastic deformation; elasticity; mechanical & acoustical properties; mechanical deformation

Citation Formats

Winter, I. S., de Jong, M., Montoya, J., Rothchild, E., and Chrzan, D. C. Intrinsic ductility of random substitutional alloys from nonlinear elasticity theory. United States: N. p., 2019. Web. doi:10.1103/PhysRevMaterials.3.113608.
Winter, I. S., de Jong, M., Montoya, J., Rothchild, E., & Chrzan, D. C. Intrinsic ductility of random substitutional alloys from nonlinear elasticity theory. United States. https://doi.org/10.1103/PhysRevMaterials.3.113608
Winter, I. S., de Jong, M., Montoya, J., Rothchild, E., and Chrzan, D. C. Wed . "Intrinsic ductility of random substitutional alloys from nonlinear elasticity theory". United States. https://doi.org/10.1103/PhysRevMaterials.3.113608. https://www.osti.gov/servlets/purl/1618199.
@article{osti_1618199,
title = {Intrinsic ductility of random substitutional alloys from nonlinear elasticity theory},
author = {Winter, I. S. and de Jong, M. and Montoya, J. and Rothchild, E. and Chrzan, D. C.},
abstractNote = {A method suitable for computing the ideal strength of random substitutional alloys is introduced. The method relies on nonlinear continuum elasticity theory and allows for the high-throughput computation of ideal strength. The method also allows for the high-throughput computation of an intrinsic ductility parameter defined for a given applied stress state as the ratio of the strain associated with the cleavage instability to the strain associated with the first shear instability. The intrinsic ductility parameter is shown to correlate well with the measured elongations to failure for elemental body-centered-cubic and hexagonal close-packed metals. Application to four high-entropy alloys indicates that the intrinsic ductility parameter describes their experimental compressions to failure well. The method is used to argue that the brittle refractory high-entropy alloy Ta-Nb-V-W-Mo could be made much more ductile through replacement of Mo with Nb. Finally, the potential for the high-throughput optimization of high entropy and chemically complex alloys is discussed.},
doi = {10.1103/PhysRevMaterials.3.113608},
journal = {Physical Review Materials},
number = 11,
volume = 3,
place = {United States},
year = {2019},
month = {11}
}

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