Study of grain boundary orientation gradients through combined experiments and strain gradient crystal plasticity modeling

Pai, Namit; Prakash, Aditya; Samajdar, I.; Patra, Anirban

doi:10.1016/j.ijplas.2022.103360

Cited by 51 publications

(9 citation statements)

References 85 publications

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“…The Euler angles of the deformed microstructure were used to plot the IPF map and the Kernel Average Misorientation (KAM) contours after 0.10 applied strain in Figures 19 (b) and (c), respectively. KAM, which is a local point-to-point misorientation measure, is generally attributed to the accommodation of heterogeneous deformation in regions with incompatible interfaces [44]. As can be seen from the KAM contours, high misorientation is predicted at the same grain interface, where strain localizations were observed in our model predictions (Figure 18) and also in the experiments [113].…”

Section: Simulation Of Ebsd Microstructuresupporting

confidence: 71%

“…Transformation-induced plasticity has also been considered in recent studies [37,38]. Finally, it should also be mentioned that non-local crystal plasticity frameworks have been developed to model the effects of strain gradient plasticity on the size-dependent mechanical properties and microstructure evolution [39,40,41,42,43,44]. The reader is referred to [2,3,45] for a detailed review of advances in the field of crystal plasticity modeling.…”

Section: Introductionmentioning

confidence: 99%

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$ρ$-CP: Open Source Dislocation Density Based Crystal Plasticity Framework for Simulating Thermo-Mechanical Deformation

Patra¹,

Chaudhary²,

Pai³

et al. 2023

Preprint

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This work presents an open source, dislocation density based crystal plasticity modeling framework, ρ-CP. A Kocks-type thermally activated flow is used for accounting for the temperature and strain rate effects on the crystallographic shearing rate. Slip system-level mobile and immobile dislocation densities, as well slip system-level backstress, are used as internal state variables for representing the substructure evolution during plastic deformation. A fully implicit numerical integration scheme is presented for the time integration of the finite deformation plasticity model. The framework is implemented and integrated with the open source finite element solver, Multiphysics Object-Oriented Simulation Environment (MOOSE). Example applications of the model are demonstrated for predicting the anisotropic mechanical response of single and polycrystalline hcp magnesium, strain rate effects and cyclic deformation of polycrystalline fcc OFHC copper, and temperature and strain rate effects on the deformation of polycrystalline bcc tantalum. Simulations of realistic Voronoitessellated microstructures as well as Electron Back Scatter Diffraction (EBSD) microstructures are demonstrated to highlight the model's ability to predict large deformation and misorientation development during plastic deformation.

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Section: Simulation Of Ebsd Microstructuresupporting

confidence: 71%

Section: Introductionmentioning

confidence: 99%

$ρ$-CP: Open Source Dislocation Density Based Crystal Plasticity Framework for Simulating Thermo-Mechanical Deformation

Patra¹,

Chaudhary²,

Pai³

et al. 2023

Preprint

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show abstract

“…From Figure (d), it is also observed that the difference in the κ L values between x = 0.2 and 0.4 compositions extend all the way to the maximum measured temperature, indicating an additional origin to the lower κ L values in x = 0.2. High-resolution electron backscatter diffraction (HR-EBSD) − scans have been performed on the x = 0.2 and 0.4 samples (details provided in the Supporting Information). The obtained cross-correlation provides information on both residual strain (in particular, γ xy has been plotted) and kernel average misorientation (KAM).…”

Section: Resultsmentioning

confidence: 99%

“…It is clear from the HR-EBSD that the lamellar structure ( x = 0.2 composition) contains nearly four times higher γ xy and noticeably more KAM. It may be noted that KAM is expected to scale with geometrically necessary dislocation (GND) density of low angle grain boundaries and is found to be clearly higher near the interfaces of the lamellar structure. Similar strained regions in the nanoscale are reported in TE materials with embedded nanoprecipitates and help in lowering of κ L values due to the associated effects on phonon scattering as well as softening of phonon modes .…”

Section: Resultsmentioning

confidence: 99%

Strained Lamellar Structures Leading to Improved Thermoelectric Performance in Mg₃Sb_1.5Bi_0.5

Kumari,

Pai,

Chavan

et al. 2023

ACS Appl. Mater. Interfaces

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Mg 3 Sb 2-x Bi x solid-solutions represent an important class of thermoelectric (TE) materials due to their high efficiency and variable operating temperature range. Of particular significance for midtemperature applications is the Mg 3 Sb 1.5 Bi 0.5 composition whose superior thermoelectric (TE) performance is attributed to the complex conduction band edge in conjunction with alloy dominated phonon scattering. In this work, we show that microstructure also plays a significant role in lowering the lattice thermal conductivity which in turn affects the overall TE performance (change in peak zT values between 1.1 and 1.4 have been observed). Temperature dependent TE properties of Mg 3+x Sb 1.5 Bi 0.5 compositions with varying nominal Mg content (x = 0.2, 0.3, 0.4) have been studied. A marked reduction of the lattice thermal conductivity (κ L ) is observed in compositions with low nominal Mg content (x = 0.2), which is due to the presence of lamellar structures within the grains. These lamellar regions are isostructural to the matrix with a low misfit angle and represent compositional fluctuations in the Bi to Sb ratio. Both the size (200 nm-500 nm) and the interfacial strain contribute to the enhanced phonon scattering. A quantitative estimate of κ L reduction due to these structures have been carried out using a mean free path (MFP) spectrum analysis which reveal a good match with experiments at room temperature. Further, the electrical properties are not influenced by these lamellar structures as observed from the similar power-factor (S 2 σ) and weighted mobilities in all of the compositions. This is due to their similar orientation to the adjacent matrix region. Thus, the zT parameter in the various compositions with similar carrier concentration can be significantly altered (∼25%) by adjusting the nominal Mg content. The results demonstrate that preferential phonon scattering by microstructure modification can be a new route for property improvement in Mg 3+x Sb 2−y Bi y solid-solutions.

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“…20 There are also some scholars who use the crystal plasticity finite element method to study the mechanical properties and deformation behavior of gradient functional materials. [21][22][23][24][25][26][27] However, the performance of a material depends on its internal structure, such as the atomic structure, atomic bonding, atomic arrangement, and so on. 28 Therefore, through studying the structure and properties of titanium alloys at the atomic scale, a better understanding of their deformation behavior can be achieved.…”

Section: Introductionmentioning

confidence: 99%

Deformation mechanisms based on the multiscale molecular dynamics of a gradient TA1 titanium alloy

Jiang,

Feng,

Tao

2024

Nanoscale

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Study of grain boundary orientation gradients through combined experiments and strain gradient crystal plasticity modeling

Cited by 51 publications

References 85 publications

$ρ$-CP: Open Source Dislocation Density Based Crystal Plasticity Framework for Simulating Thermo-Mechanical Deformation

$ρ$-CP: Open Source Dislocation Density Based Crystal Plasticity Framework for Simulating Thermo-Mechanical Deformation

Strained Lamellar Structures Leading to Improved Thermoelectric Performance in Mg₃Sb_1.5Bi_0.5

Deformation mechanisms based on the multiscale molecular dynamics of a gradient TA1 titanium alloy

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Study of grain boundary orientation gradients through combined experiments and strain gradient crystal plasticity modeling

Cited by 51 publications

References 85 publications

$ρ$-CP: Open Source Dislocation Density Based Crystal Plasticity Framework for Simulating Thermo-Mechanical Deformation

$ρ$-CP: Open Source Dislocation Density Based Crystal Plasticity Framework for Simulating Thermo-Mechanical Deformation

Strained Lamellar Structures Leading to Improved Thermoelectric Performance in Mg3Sb1.5Bi0.5

Deformation mechanisms based on the multiscale molecular dynamics of a gradient TA1 titanium alloy

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Strained Lamellar Structures Leading to Improved Thermoelectric Performance in Mg₃Sb_1.5Bi_0.5