Deformation Behaviors in Single BCC-Phase Refractory Multi-Principal Element Alloys under Dynamic Conditions

Chanho Lee; Deva Prasaad Neelakandan; Dongyue Xie; Juntan Li; Chia Yi Wu; Aomin Huang; Leeseung Kang; Shuozhi Xu; Barton C. Prorok; Dong Joo Kim; Marc A. Meyers; Haixuan Xu; Peter K. Liaw; Yi Chia Chou; Ke An; George T. Gray; Nan Li; Gian Song; Saryu J. Fensin

doi:10.1002/advs.202508180

Deformation Behaviors in Single BCC-Phase Refractory Multi-Principal Element Alloys under Dynamic Conditions

Chanho Lee, Deva Prasaad Neelakandan, Dongyue Xie, Juntan Li, Chia Yi Wu, Aomin Huang, Leeseung Kang, Shuozhi Xu, Barton C. Prorok, Dong Joo Kim, Marc A. Meyers, Haixuan Xu, Peter K. Liaw, Yi Chia Chou, Ke An, George T. Gray, Nan Li, Gian Song, Saryu J. Fensin

Materials Engineering

Research output: Contribution to journal › Article › peer-review

Abstract

The mechanical behavior and microstructural evolution of a BCC-phase NbTaTiV refractory multi-principal element alloy (RMPEA) is studied over a wide range of strain rates (10⁻³ to 10³ s⁻¹) and temperatures (room temperature to 850 °C). The mechanical property of present RMPEA shows less strain-rate dependence and strong resistance to softening at high temperatures. Under high strain-rate loading, the formation of thin type-I twins is observed, which could lead to an increase in strain-hardening rates. However, this hardening mechanism competes with adiabatic heating effects, resulting in the deterrence of strain-hardening behaviors. In contrast, substantial strain-hardening occurs at cryogenic temperatures due to the formation of twins, which act as stronger barriers to dislocation motion and interact with each other. To further understand the different strain-hardening behaviors, density functional theory (DFT) calculations predict relatively low stacking fault energies and high twinning stress for the NbTaTiV RMPEA.

Original language	English
Article number	e08180
Journal	Advanced Science
Volume	12
Issue number	36
DOIs	https://doi.org/10.1002/advs.202508180
State	Published - Sep 25 2025

Funding

C.L., D.X., G.T.G., N.L., and S.J.F. thank the Los Alamos National Laboratory (LANL)/Laboratory Directed Research & Development (LDRD) Program for the support of the present work. Also, the present research was performed, in part, at the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science. Los Alamos National Laboratory, an affirmative action equal opportunity employer, is managed by the Triad National Security, LLC for the U.S. Department of Energy's NNSA, under contract 89233218CNA000001. C.L. and P.K.L. very much appreciate the supports of (1) the U.S. Army Research Office Project (W911NF-13-1-0438 and W911NF-19-2-0049) with the program managers, Drs. M. P. Bakas, S. N. Mathaudhu, and D. M. Stepp and (2) from the National Science Foundation (DMR-1611180, 1809640, and 2226508) with the program directors, Drs. J. Madison, J. Yang, G. Shiflet, and D. Farkas. C.L. and P.K.L. appreciate funding from the State of Tennessee and Tennessee Higher Education Commission (THEC) through their support of the Center for Materials Processing (CMP) with Prof. Claudia Rawn as the Director. C.L. and L.K. appreciate the support from the Technology Innovation Program (or Industrial Strategic Technology Development Program-(RS-2024-00431715) funded by the Ministry of Trade Industry & Energy (MOTIE, Korea). C.L., G.S. thanks funding from Ministry of Economyand Finance (MOEF, Korea) (No. JE250007); the National Research Foundation of Korea (NRF) funded by Ministry of Science and ICT (MIST, Korea) (RS-2023-00281671) and the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (No. 2020R1C1C1005553). C.L., D.X., G.T.G., N.L., and S.J.F. thank the Los Alamos National Laboratory (LANL)/Laboratory Directed Research & Development (LDRD) Program for the support of the present work. Also, the present research was performed, in part, at the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science. Los Alamos National Laboratory, an affirmative action equal opportunity employer, is managed by the Triad National Security, LLC for the U.S. Department of Energy's NNSA, under contract 89233218CNA000001. C.L. and P.K.L. very much appreciate the supports of (1) the U.S. Army Research Office Project (W911NF‐13‐1‐0438 and W911NF‐19‐2‐0049) with the program managers, Drs. M. P. Bakas, S. N. Mathaudhu, and D. M. Stepp and (2) from the National Science Foundation (DMR‐1611180, 1809640, and 2226508) with the program directors, Drs. J. Madison, J. Yang, G. Shiflet, and D. Farkas. C.L. and P.K.L. appreciate funding from the State of Tennessee and Tennessee Higher Education Commission (THEC) through their support of the Center for Materials Processing (CMP) with Prof. Claudia Rawn as the Director. C.L. and L.K. appreciate the support from the Technology Innovation Program (or Industrial Strategic Technology Development Program‐(RS‐2024‐00431715) funded by the Ministry of Trade Industry & Energy (MOTIE, Korea). C.L., G.S. thanks funding from Ministry of Economyand Finance (MOEF, Korea) (No. JE250007); the National Research Foundation of Korea (NRF) funded by Ministry of Science and ICT (MIST, Korea) (RS‐2023‐00281671) and the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (No. 2020R1C1C1005553).

Keywords

deformation twinning
dynamic deformation
refractory multi-principal element alloys

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10.1002/advs.202508180

Cite this

Lee, C., Neelakandan, D. P., Xie, D., Li, J., Wu, C. Y., Huang, A., Kang, L., Xu, S., Prorok, B. C., Kim, D. J., Meyers, M. A., Xu, H., Liaw, P. K., Chou, Y. C., An, K., Gray, G. T., Li, N., Song, G., & Fensin, S. J. (2025). Deformation Behaviors in Single BCC-Phase Refractory Multi-Principal Element Alloys under Dynamic Conditions. Advanced Science, 12(36), Article e08180. https://doi.org/10.1002/advs.202508180

@article{6f24727c94b64d2bac726aeaf4bdf4e7,

title = "Deformation Behaviors in Single BCC-Phase Refractory Multi-Principal Element Alloys under Dynamic Conditions",

abstract = "The mechanical behavior and microstructural evolution of a BCC-phase NbTaTiV refractory multi-principal element alloy (RMPEA) is studied over a wide range of strain rates (10−3 to 103 s−1) and temperatures (room temperature to 850 °C). The mechanical property of present RMPEA shows less strain-rate dependence and strong resistance to softening at high temperatures. Under high strain-rate loading, the formation of thin type-I twins is observed, which could lead to an increase in strain-hardening rates. However, this hardening mechanism competes with adiabatic heating effects, resulting in the deterrence of strain-hardening behaviors. In contrast, substantial strain-hardening occurs at cryogenic temperatures due to the formation of twins, which act as stronger barriers to dislocation motion and interact with each other. To further understand the different strain-hardening behaviors, density functional theory (DFT) calculations predict relatively low stacking fault energies and high twinning stress for the NbTaTiV RMPEA.",

keywords = "deformation twinning, dynamic deformation, refractory multi-principal element alloys",

author = "Chanho Lee and Neelakandan, \{Deva Prasaad\} and Dongyue Xie and Juntan Li and Wu, \{Chia Yi\} and Aomin Huang and Leeseung Kang and Shuozhi Xu and Prorok, \{Barton C.\} and Kim, \{Dong Joo\} and Meyers, \{Marc A.\} and Haixuan Xu and Liaw, \{Peter K.\} and Chou, \{Yi Chia\} and Ke An and Gray, \{George T.\} and Nan Li and Gian Song and Fensin, \{Saryu J.\}",

note = "Publisher Copyright: Published 2025. This article is a U.S. Government work and is in the public domain in the USA. Advanced Science published by Wiley-VCH GmbH.",

year = "2025",

month = sep,

day = "25",

doi = "10.1002/advs.202508180",

language = "English",

volume = "12",

journal = "Advanced Science",

issn = "2198-3844",

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Lee, C, Neelakandan, DP, Xie, D, Li, J, Wu, CY, Huang, A, Kang, L, Xu, S, Prorok, BC, Kim, DJ, Meyers, MA, Xu, H, Liaw, PK, Chou, YC, An, K, Gray, GT, Li, N, Song, G & Fensin, SJ 2025, 'Deformation Behaviors in Single BCC-Phase Refractory Multi-Principal Element Alloys under Dynamic Conditions', Advanced Science, vol. 12, no. 36, e08180. https://doi.org/10.1002/advs.202508180

TY - JOUR

T1 - Deformation Behaviors in Single BCC-Phase Refractory Multi-Principal Element Alloys under Dynamic Conditions

AU - Lee, Chanho

AU - Neelakandan, Deva Prasaad

AU - Xie, Dongyue

AU - Li, Juntan

AU - Wu, Chia Yi

AU - Huang, Aomin

AU - Kang, Leeseung

AU - Xu, Shuozhi

AU - Prorok, Barton C.

AU - Kim, Dong Joo

AU - Meyers, Marc A.

AU - Xu, Haixuan

AU - Liaw, Peter K.

AU - Chou, Yi Chia

AU - An, Ke

AU - Gray, George T.

AU - Li, Nan

AU - Song, Gian

AU - Fensin, Saryu J.

N1 - Publisher Copyright: Published 2025. This article is a U.S. Government work and is in the public domain in the USA. Advanced Science published by Wiley-VCH GmbH.

PY - 2025/9/25

Y1 - 2025/9/25

N2 - The mechanical behavior and microstructural evolution of a BCC-phase NbTaTiV refractory multi-principal element alloy (RMPEA) is studied over a wide range of strain rates (10−3 to 103 s−1) and temperatures (room temperature to 850 °C). The mechanical property of present RMPEA shows less strain-rate dependence and strong resistance to softening at high temperatures. Under high strain-rate loading, the formation of thin type-I twins is observed, which could lead to an increase in strain-hardening rates. However, this hardening mechanism competes with adiabatic heating effects, resulting in the deterrence of strain-hardening behaviors. In contrast, substantial strain-hardening occurs at cryogenic temperatures due to the formation of twins, which act as stronger barriers to dislocation motion and interact with each other. To further understand the different strain-hardening behaviors, density functional theory (DFT) calculations predict relatively low stacking fault energies and high twinning stress for the NbTaTiV RMPEA.

AB - The mechanical behavior and microstructural evolution of a BCC-phase NbTaTiV refractory multi-principal element alloy (RMPEA) is studied over a wide range of strain rates (10−3 to 103 s−1) and temperatures (room temperature to 850 °C). The mechanical property of present RMPEA shows less strain-rate dependence and strong resistance to softening at high temperatures. Under high strain-rate loading, the formation of thin type-I twins is observed, which could lead to an increase in strain-hardening rates. However, this hardening mechanism competes with adiabatic heating effects, resulting in the deterrence of strain-hardening behaviors. In contrast, substantial strain-hardening occurs at cryogenic temperatures due to the formation of twins, which act as stronger barriers to dislocation motion and interact with each other. To further understand the different strain-hardening behaviors, density functional theory (DFT) calculations predict relatively low stacking fault energies and high twinning stress for the NbTaTiV RMPEA.

KW - deformation twinning

KW - dynamic deformation

KW - refractory multi-principal element alloys

UR - https://www.scopus.com/pages/publications/105012406177

U2 - 10.1002/advs.202508180

DO - 10.1002/advs.202508180

M3 - Article

C2 - 40758385

AN - SCOPUS:105012406177

SN - 2198-3844

VL - 12

JO - Advanced Science

JF - Advanced Science

IS - 36

M1 - e08180

ER -

Deformation Behaviors in Single BCC-Phase Refractory Multi-Principal Element Alloys under Dynamic Conditions

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