skip to main content
US FlagAn official website of the United States government
dot gov icon
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
https lock icon
Secure .gov websites use HTTPS
A lock ( lock ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.


Title: Deformation, dislocation evolution and the non-Schmid effect in body-centered-cubic single- and polycrystal tantalum
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.  more » « less
Award ID(s):
2118399
PAR ID:
10477049
Author(s) / Creator(s):
; ; ; ; ; ; ; ; ;
Publisher / Repository:
Elsevier
Date Published:
Journal Name:
International Journal of Plasticity
Volume:
163
Issue:
C
ISSN:
0749-6419
Page Range / eLocation ID:
103529
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
More Like this
  1. This research paper presents an experimental, theoretical, and numerical study of the thermomechanical behavior of single-crystal and polycrystal copper under uniaxial stress compression loading at varying rates of deformation. The thermomechanical theory is based on a thermodynamically consistent framework for single-crystal face-centered cubic metals, and assumes that all plastic power is partitioned between stored energy due to dislocation structure evolution (configurational) and thermal (kinetic vibrational) energy. An expression for the Taylor–Quinney factor is proposed, which is a simple function of effective temperature and is allowed by second-law restrictions. This single-crystal model is used for the study of single- and polycrystal copper. New polycrystal thermomechanical experimental results are presented at varying strain rates. The temperature evolution on the surface of the polycrystal samples is measured using mounted thermocouples. Thermomechanical numerical single- and polycrystal simulations were performed for all experimental conditions ranging between 10−3 and 5 × 103 s−1. A Taylor homogenization model is used to represent polycrystal behavior. The numerical simulations of all conditions compare reasonable well with experimental results for both stress and temperature evolution. Given our lack of understanding of the mechanisms responsible for the coupling of dislocation glide and atomic vibration, this implies that the proposed theory is a reasonably accurate approximation of the single-crystal thermomechanics. 
    more » « less
  2. Directed energy deposition (DED)-based additive manufacturing (AM) was employed to fabricate three distinct bimetallic compositions to understand the role interface for the deformation behavior of bimetallic structures under compressive loading. Commercially pure titanium (CP Ti) with a hexagonal closed packed (HCP) structure, nickel (Ni) with a face-centered cubic (FCC), and tantalum (Ta) with a body-centered cubic (BCC) structure were selected to understand the deformation behavior within the pure metals and damage accumulation at the bimetallic interface. By incorporating the combination of these materials, such as Ni-Ti, Ni-Ta, and Ta-Ti, we aimed to manufacture layered-base polycrystalline composite structures with FCC-HCP, FCC-BCC, and BCC-HCP crystal unit cells, respectively. In Ni-Ti and Ni-Ta bimetallic structures, it was determined that deformation is controlled by the Ni region, where the highest deflection occurs when Ni bulges out and makes lateral stress at the interface, resulting in crack initiation, propagation, and failure of the structure. Structural edges were found to experience the highest deformation, prompting grain inclination towards the <111> crystal orientation, resulting in a favorable orientation for dislocation slip and a higher Taylor factor. However, strong interfacial bonding and similar Young's modulus between Ta and Ti altered the deformation mechanisms to twinning formation in the Ti region and observed buckling of the entire structure without significant failure at the interface. 
    more » « less
  3. Single-phase solid-solution refractory high-entropy alloys (HEAs) show remarkable mechanical properties, such as their high yield strength and substantial softening resistance at elevated temperatures. Hence, the in-depth study of the deformation behavior for body-centered cubic (BCC) refractory HEAs is a critical issue to explore the uncovered/unique deformation mechanisms. We have investigated the elastic and plastic deformation behaviors of a single BCC NbTaTiV refractory HEA at elevated temperatures using integrated experimental efforts and theoretical calculations. The in situ neutron diffraction results reveal a temperature-dependent elastic anisotropic deformation behavior. The single-crystal elastic moduli and macroscopic Young’s, shear, and bulk moduli were determined from the in situ neutron diffraction, showing great agreement with first-principles calculations, machine learning, and resonant ultrasound spectroscopy results. Furthermore, the edge dislocation–dominant plastic deformation behaviors, which are different from conventional BCC alloys, were quantitatively described by the Williamson-Hall plot profile modeling and high-angle annular dark-field scanning transmission electron microscopy. 
    more » « less
  4. Plasticity in body centered cubic (BCC) crystals is shown to be controlled by slow screw dislocation motion, owing to the thermally-activated process of kink pair nucleation and migration. Through three dimensional discrete dislocation dynamics simulations, this work unravels the mystery of how such slow screw dislocation behavior contributes to extremely rapid strain bursts in submicron BCC tungsten (W) pillars, which is typical of BCC metals. It is found that strain bursts are dominated by the motion of non-screw dislocations at low strain rate, but are more influenced by screw dislocations at high strain rate. The total, and partial strain burst magnitude due to screw dislocations alone, are found to exhibit rate dependence following a power law statistics with exponent of 0.65. Similar power law statistics are also obeyed for the standard deviation of the corresponding plastic strain rate. The role of screw dislocations is attributed to the changing nature of dislocation source operation at different strain rates. The corresponding spatial distribution of plastic deformation is also discussed based on the uniqueness of the simulation method in reproducing the distribution of slipped area and plastic strain with very high spatial resolution. 
    more » « less
  5. Abstract For some polycrystalline materials such as austenitic stainless steel, magnesium, TATB, and HMX, twinning is a crucial deformation mechanism when the dislocation slip alone is not enough to accommodate the applied strain. To predict this coupling effect between crystal plasticity and deformation twinning, we introduce a mathematical model and the corresponding monolithic and operator splitting solvers that couple the crystal plasticity material model with a phase field twining model such that the twinning nucleation and propagation can be captured via an implicit function. While a phase field order parameter is introduced to quantify the twinning induced shear strain and corresponding crystal reorientation, the evolution of the order parameter is driven by the resolved shear stress on the twinning system. To avoid introducing an additional set of slip systems for dislocation slip within the twinning region, we introduce a Lie algebra averaging technique to determine the Schmid tensor throughout the twinning transformation. Three different numerical schemes are proposed to solve the coupled problem, including a monolithic scheme, an alternating minimization scheme, and an operator splitting scheme. Three numerical examples are utilized to demonstrate the capability of the proposed model, as well as the accuracy and computational cost of the solvers. 
    more » « less