Deformation, dislocation evolution and the non-Schmid effect in body-centered-cubic single- and polycrystal tantalum

Seunghyeon Lee; Hansohl Cho; Curt A. Bronkhorst; Reeju Pokharel; Donald W. Brown; Bjørn Clausen; Sven C. Vogel; Veronica Anghel; George T. Gray; Jason R. Mayeur

doi:10.1016/j.ijplas.2023.103529

Deformation, dislocation evolution and the non-Schmid effect in body-centered-cubic single- and polycrystal tantalum

Seunghyeon Lee, Hansohl Cho, Curt A. Bronkhorst, Reeju Pokharel, Donald W. Brown, Bjørn Clausen, Sven C. Vogel, Veronica Anghel, George T. Gray, Jason R. Mayeur

Deposition Science and Technology

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

13 Scopus citations

Abstract

A physically-informed continuum crystal plasticity model is presented to elucidate deformation mechanisms, dislocation evolution and the non-Schmid effect in body-centered-cubic (bcc) tantalum widely used as a key structural material for mechanical and thermal extremes. We show the unified structural modeling framework informed by mesoscopic dislocation dynamics simulations is capable of capturing salient features of the large inelastic behavior of tantalum at quasi-static (10⁻³ s⁻¹) to extreme strain rates (5000 s⁻¹) and at low (77 K) to high temperatures (873 K) at both single- and polycrystal levels. We also present predictive capabilities of the model for microstructural evolution in the material. To this end, we investigate the effects of dislocation interactions on slip activities, instability and the non-Schmid behavior at the single crystal level. Furthermore, ex situ measurements on crystallographic texture evolution and dislocation density growth are carried out for polycrystal tantalum specimens at increasing strains. Numerical simulation results also support that the modeling framework is capable of capturing the main features of the polycrystal behavior over a wide range of strains, strain rates and temperatures. The theoretical, experimental and numerical results at both single- and polycrystal levels provide critical insight into the underlying physical pictures for micro- and macroscopic responses and their relations in this important class of refractory bcc materials undergoing large inelastic deformations.

Original language	English
Article number	103529
Journal	International Journal of Plasticity
Volume	163
DOIs	https://doi.org/10.1016/j.ijplas.2023.103529
State	Published - Apr 2023

Funding

This work was funded by National Research Foundation (NRF) of Korea (Grant No. 2020R1C1C101324813 and 2021R1A4A103278312) and National Science Foundation (NSF), United States CMMI (Grant No. 2118399). This work has also benefitted from the use of the Los Alamos Neutron Science Center (LANSCE) at Los Alamos National Laboratory. Los Alamos National Laboratory is operated by Triad National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract number 89233218NCA000001. This work was funded by National Research Foundation (NRF) of Korea (Grant No. 2020R1C1C101324813 and 2021R1A4A103278312 ) and National Science Foundation (NSF), United States CMMI (Grant No. 2118399 ). This work has also benefitted from the use of the Los Alamos Neutron Science Center (LANSCE) at Los Alamos National Laboratory. Los Alamos National Laboratory is operated by Triad National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract number 89233218NCA000001.

Funders	Funder number
United States CMMI	2118399
National Science Foundation
U.S. Department of Energy	89233218NCA000001
National Nuclear Security Administration
Los Alamos National Laboratory
National Research Foundation of Korea	2020R1C1C101324813, 2021R1A4A103278312

Keywords

Body-centered-cubic (bcc) crystals
Crystal plasticity
Dislocation density evolution
Non-Schmid effects
Single- and polycrystal tantalum
Slip instability
ex situ neutron diffraction measurement

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10.1016/j.ijplas.2023.103529

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title = "Deformation, dislocation evolution and the non-Schmid effect in body-centered-cubic single- and polycrystal tantalum",

abstract = "A physically-informed continuum crystal plasticity model is presented to elucidate deformation mechanisms, dislocation evolution and the non-Schmid effect in body-centered-cubic (bcc) tantalum widely used as a key structural material for mechanical and thermal extremes. We show the unified structural modeling framework informed by mesoscopic dislocation dynamics simulations is capable of capturing salient features of the large inelastic behavior of tantalum at quasi-static (10−3 s−1) to extreme strain rates (5000 s−1) and at low (77 K) to high temperatures (873 K) at both single- and polycrystal levels. We also present predictive capabilities of the model for microstructural evolution in the material. To this end, we investigate the effects of dislocation interactions on slip activities, instability and the non-Schmid behavior at the single crystal level. Furthermore, ex situ measurements on crystallographic texture evolution and dislocation density growth are carried out for polycrystal tantalum specimens at increasing strains. Numerical simulation results also support that the modeling framework is capable of capturing the main features of the polycrystal behavior over a wide range of strains, strain rates and temperatures. The theoretical, experimental and numerical results at both single- and polycrystal levels provide critical insight into the underlying physical pictures for micro- and macroscopic responses and their relations in this important class of refractory bcc materials undergoing large inelastic deformations.",

keywords = "Body-centered-cubic (bcc) crystals, Crystal plasticity, Dislocation density evolution, Non-Schmid effects, Single- and polycrystal tantalum, Slip instability, ex situ neutron diffraction measurement",

author = "Seunghyeon Lee and Hansohl Cho and Bronkhorst, {Curt A.} and Reeju Pokharel and Brown, {Donald W.} and Bj{\o}rn Clausen and Vogel, {Sven C.} and Veronica Anghel and Gray, {George T.} and Mayeur, {Jason R.}",

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year = "2023",

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doi = "10.1016/j.ijplas.2023.103529",

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T1 - Deformation, dislocation evolution and the non-Schmid effect in body-centered-cubic single- and polycrystal tantalum

AU - Lee, Seunghyeon

AU - Cho, Hansohl

AU - Bronkhorst, Curt A.

AU - Pokharel, Reeju

AU - Brown, Donald W.

AU - Clausen, Bjørn

AU - Vogel, Sven C.

AU - Anghel, Veronica

AU - Gray, George T.

AU - Mayeur, Jason R.

PY - 2023/4

Y1 - 2023/4

N2 - A physically-informed continuum crystal plasticity model is presented to elucidate deformation mechanisms, dislocation evolution and the non-Schmid effect in body-centered-cubic (bcc) tantalum widely used as a key structural material for mechanical and thermal extremes. We show the unified structural modeling framework informed by mesoscopic dislocation dynamics simulations is capable of capturing salient features of the large inelastic behavior of tantalum at quasi-static (10−3 s−1) to extreme strain rates (5000 s−1) and at low (77 K) to high temperatures (873 K) at both single- and polycrystal levels. We also present predictive capabilities of the model for microstructural evolution in the material. To this end, we investigate the effects of dislocation interactions on slip activities, instability and the non-Schmid behavior at the single crystal level. Furthermore, ex situ measurements on crystallographic texture evolution and dislocation density growth are carried out for polycrystal tantalum specimens at increasing strains. Numerical simulation results also support that the modeling framework is capable of capturing the main features of the polycrystal behavior over a wide range of strains, strain rates and temperatures. The theoretical, experimental and numerical results at both single- and polycrystal levels provide critical insight into the underlying physical pictures for micro- and macroscopic responses and their relations in this important class of refractory bcc materials undergoing large inelastic deformations.

AB - A physically-informed continuum crystal plasticity model is presented to elucidate deformation mechanisms, dislocation evolution and the non-Schmid effect in body-centered-cubic (bcc) tantalum widely used as a key structural material for mechanical and thermal extremes. We show the unified structural modeling framework informed by mesoscopic dislocation dynamics simulations is capable of capturing salient features of the large inelastic behavior of tantalum at quasi-static (10−3 s−1) to extreme strain rates (5000 s−1) and at low (77 K) to high temperatures (873 K) at both single- and polycrystal levels. We also present predictive capabilities of the model for microstructural evolution in the material. To this end, we investigate the effects of dislocation interactions on slip activities, instability and the non-Schmid behavior at the single crystal level. Furthermore, ex situ measurements on crystallographic texture evolution and dislocation density growth are carried out for polycrystal tantalum specimens at increasing strains. Numerical simulation results also support that the modeling framework is capable of capturing the main features of the polycrystal behavior over a wide range of strains, strain rates and temperatures. The theoretical, experimental and numerical results at both single- and polycrystal levels provide critical insight into the underlying physical pictures for micro- and macroscopic responses and their relations in this important class of refractory bcc materials undergoing large inelastic deformations.

KW - Body-centered-cubic (bcc) crystals

KW - Crystal plasticity

KW - Dislocation density evolution

KW - Non-Schmid effects

KW - Single- and polycrystal tantalum

KW - Slip instability

KW - ex situ neutron diffraction measurement

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DO - 10.1016/j.ijplas.2023.103529

M3 - Article

AN - SCOPUS:85149017985

SN - 0749-6419

VL - 163

JO - International Journal of Plasticity

JF - International Journal of Plasticity

M1 - 103529

ER -

Deformation, dislocation evolution and the non-Schmid effect in body-centered-cubic single- and polycrystal tantalum

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