Abstract
Elastic properties are essential to the mechanical performance of materials, and therefore, can be tuned to design high-performance materials. In this study, the elastic constants of the equiatomic ternary refractory multi-principal-element alloys, NbTiV, and MoNbV, were investigated, using in-situ neutron diffraction and first-principles calculations. The experimentally measured and theoretically predicted elastic constants show a good agreement. The alloying effect of adding Ti and Mo into NbV base alloy on the elastic constants is studied. Particularly, adding Ti elements into the NbV alloy results in the increase of the Zener anisotropy ratio from 0.59 to 0.99, leading to the formation of the elastically isotropic NbTiV alloy, while the addition of Mo decreases the anisotropy ratio to 0.52. Pugh's ratio (B/G), Cauchy pressure (C12-C44), and Poisson's ratio (ν) are used to predict the brittle/ductile nature of the studied alloys, which is consistent with the mechanical results. The present work provides valuable insights into the design of ductile and strong refractory high-entropy alloys by tuning the elastic properties.
Original language | English |
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Article number | 110820 |
Journal | Materials and Design |
Volume | 219 |
DOIs | |
State | Published - Jul 2022 |
Funding
R. Feng thanks for the support from the Materials and Engineering Initiative at the Spallation Neutron Source (SNS), Oak Ridge National Laboratory (ORNL). The present research used resources at the SNS, a U.S. Department of Energy (DOE) Office of Science User Facility operated by the ORNL. P. K. Liaw appreciates the support from (1) the National Science Foundation ( DMR-1611180 and 1809640 ) with program directors, Drs. J. Yang, G. Shiflet, and D. Farkas and (2) the US Army Research Office ( W911NF-13-1-0438 and W911NF-19-2-0049 ) with program managers, Drs. M.P. Bakas, S.N. Mathaudhu, and D.M. Stepp. G.K. and W.C. acknowledge the support by the National Science Foundation under Grant No. DMR-1945380 . This work used the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation grant number ACI-1548562 . This research used resources of the National Energy Research Scientific Computing Center (NERSC), a U.S. Department of Energy Office of Science User Facility located at Lawrence Berkeley National Laboratory, operated under Contract No. DE-AC02-05CH11231 . R. Feng thanks for the support from the Materials and Engineering Initiative at the Spallation Neutron Source (SNS), Oak Ridge National Laboratory (ORNL). The present research used resources at the SNS, a U.S. Department of Energy (DOE) Office of Science User Facility operated by the ORNL. P. K. Liaw appreciates the support from (1) the National Science Foundation (DMR-1611180 and 1809640) with program directors, Drs. J. Yang, G. Shiflet, and D. Farkas and (2) the US Army Research Office (W911NF-13-1-0438 and W911NF-19-2-0049) with program managers, Drs. M.P. Bakas, S.N. Mathaudhu, and D.M. Stepp. G.K. and W.C. acknowledge the support by the National Science Foundation under Grant No. DMR-1945380. This work used the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation grant number ACI-1548562. This research used resources of the National Energy Research Scientific Computing Center (NERSC), a U.S. Department of Energy Office of Science User Facility located at Lawrence Berkeley National Laboratory, operated under Contract No. DE-AC02-05CH11231.
Keywords
- Elastic properties
- First-principles calculations
- Mechanical behavior
- Multi-principal-element alloys
- Neutron diffraction