Nikhil Chandra Admal
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View article: Multiscale analysis of large twist ferroelectricity and swirling dislocations in bilayer hexagonal boron nitride
Multiscale analysis of large twist ferroelectricity and swirling dislocations in bilayer hexagonal boron nitride Open
With its atomically thin structure and intrinsic ferroelectric properties, heterodeformed bilayer hexagonal boron nitride (hBN) has gained prominence in next-generation non-volatile memory applications. However, studies to date have focuse…
View article: Energetics of the nucleation and glide of disconnection modes in symmetric tilt grain boundaries
Energetics of the nucleation and glide of disconnection modes in symmetric tilt grain boundaries Open
GBs evolve by the nucleation and glide of disconnections, which are dislocations with a step character. In this work, motivated by recent success in predicting GB properties such as the shear coupling factor and mobility from the intrinsic…
View article: Integrated Experiment and Simulation Co-Design: A Key Infrastructure for Predictive Mesoscale Materials Modeling
Integrated Experiment and Simulation Co-Design: A Key Infrastructure for Predictive Mesoscale Materials Modeling Open
The design of structural & functional materials for specialized applications is being fueled by rapid advancements in materials synthesis, characterization, manufacturing, with sophisticated computational materials modeling frameworks that…
View article: Quantifying superlubricity of bilayer graphene from the mobility of interface dislocations
Quantifying superlubricity of bilayer graphene from the mobility of interface dislocations Open
Van der Waals (vdW) heterostructures subjected to interlayer twists or heterostrains demonstrate structural superlubricity, leading to their potential use as superlubricants in micro- and nano-electro-mechanical devices. However, quantifyi…
View article: The Structure and Migration of Twin Boundaries in Tetragonal β-Sn: An Application of Machine Learning Based Interatomic Potentials
The Structure and Migration of Twin Boundaries in Tetragonal β-Sn: An Application of Machine Learning Based Interatomic Potentials Open
View article: Energetics of the Nucleation and Glide of Disconnection Modes in Symmetric Tilt Grain Boundaries
Energetics of the Nucleation and Glide of Disconnection Modes in Symmetric Tilt Grain Boundaries Open
View article: Atomistically-Informed Partial Dislocation Dynamics of Multi-Principal Element Alloys
Atomistically-Informed Partial Dislocation Dynamics of Multi-Principal Element Alloys Open
View article: An atomistic survey of shear coupling in asymmetric tilt grain boundaries and interpretation using the disconnections framework
An atomistic survey of shear coupling in asymmetric tilt grain boundaries and interpretation using the disconnections framework Open
View article: Statistics of grain microstructure evolution under anisotropic grain boundary energies and mobilities using threshold-dynamics
Statistics of grain microstructure evolution under anisotropic grain boundary energies and mobilities using threshold-dynamics Open
This paper investigates the statistics of two-dimensional grain microstructures during grain growth under anisotropic grain boundary (GB) energies and mobilities. We employ the threshold dynamics method, which allows for unparalleled compu…
View article: Bicrystallography-informed Frenkel–Kontorova model for interlayer dislocations in strained 2D heterostructures
Bicrystallography-informed Frenkel–Kontorova model for interlayer dislocations in strained 2D heterostructures Open
View article: Statistics of grain microstructure evolution under anisotropic grain boundary energies and mobilities using threshold-dynamics
Statistics of grain microstructure evolution under anisotropic grain boundary energies and mobilities using threshold-dynamics Open
This paper investigates the statistical behavior of two-dimensional grain microstructures during grain growth under anisotropic grain boundary characters. We employ the threshold-dynamics method, which allows for unparalleled computational…
View article: Bicrystallography-informed Frenkel-Kontorova model for interlayer dislocations in strained 2D heterostructures
Bicrystallography-informed Frenkel-Kontorova model for interlayer dislocations in strained 2D heterostructures Open
In recent years, van der Waals (vdW) heterostructures and homostructures, which consist of stacks of two-dimensional (2D) materials, have risen to prominence due to their association with exotic quantum phenomena. Atomistic scale relaxatio…
View article: Interface Dislocations and Grain Boundary Disconnections Using Smith Normal Bicrystallography
Interface Dislocations and Grain Boundary Disconnections Using Smith Normal Bicrystallography Open
View article: Polycrystal plasticity with grain boundary evolution: a numerically efficient dislocation-based diffuse-interface model
Polycrystal plasticity with grain boundary evolution: a numerically efficient dislocation-based diffuse-interface model Open
Grain structure plays a key role in the mechanical properties of alloy materials. Engineering the grain structure requires a comprehensive understanding of the evolution of grain boundaries (GBs) when a material is subjected to various man…
View article: A crystal symmetry-invariant Kobayashi–Warren–Carter grain boundary model and its implementation using a thresholding algorithm
A crystal symmetry-invariant Kobayashi–Warren–Carter grain boundary model and its implementation using a thresholding algorithm Open
View article: Polycrystal plasticity with grain boundary evolution: A numerically efficient dislocation-based diffuse-interface model
Polycrystal plasticity with grain boundary evolution: A numerically efficient dislocation-based diffuse-interface model Open
Grain structure plays a key role in the mechanical properties of alloy materials. Engineering the grain structure requires a comprehensive understanding of the evolution of grain boundaries (GBs) when a material is subjected to various man…
View article: Polycrystal plasticity and grain boundary evolution: A unified dislocation-based diffuse-interface approach
Polycrystal plasticity and grain boundary evolution: A unified dislocation-based diffuse-interface approach Open
Grain structure plays a key role in the mechanical properties of alloy materials. Engineering the grain structure requires a comprehensive understanding of the evolution of grain boundaries (GBs) when a material is subjected to various man…
View article: A crystal symmetry-invariant Kobayashi-Warren-Carter grain boundary model and its implementation using a thresholding algorithm
A crystal symmetry-invariant Kobayashi-Warren-Carter grain boundary model and its implementation using a thresholding algorithm Open
One of the most important aims of grain boundary modeling is to predict the evolution of a large collection of grains in phenomena such as abnormal grain growth, coupled grain boundary motion, and recrystallization that occur under extreme…
View article: Non-local Thermoelasticity Based on Equilibrium Statistical Thermodynamics
Non-local Thermoelasticity Based on Equilibrium Statistical Thermodynamics Open
The purpose of this work is the formulation of energetic constitutive relations for thermoelasticity of non-simple materials based on atomistic considerations and equilibrium statistical thermodynamics (EST). In particular, both (unrestric…
View article: A three-dimensional misorientation axis- and inclination-dependent Kobayashi–Warren–Carter grain boundary model
A three-dimensional misorientation axis- and inclination-dependent Kobayashi–Warren–Carter grain boundary model Open
View article: The Green tensor of Mindlin’s anisotropic first strain gradient elasticity
The Green tensor of Mindlin’s anisotropic first strain gradient elasticity Open
We derive the Green tensor of Mindlin’s anisotropic first strain gradient elasticity. The Green tensor is valid for arbitrary anisotropic materials, with up to 21 elastic constants and 171 gradient elastic constants in the general case of …
View article: The Green tensor of Mindlin's anisotropic first strain gradient elasticity
The Green tensor of Mindlin's anisotropic first strain gradient elasticity Open
We derive the Green tensor of Mindlin's anisotropic first strain gradient elasticity. The Green tensor is valid for arbitrary anisotropic materials, with up to 21 elastic constants and 171 gradient elastic constants in the general case of …
View article: A unified framework for polycrystal plasticity with grain boundary evolution
A unified framework for polycrystal plasticity with grain boundary evolution Open
View article: A non-singular theory of dislocations in anisotropic crystals
A non-singular theory of dislocations in anisotropic crystals Open
View article: Diffuse-interface polycrystal plasticity: expressing grain boundaries as geometrically necessary dislocations
Diffuse-interface polycrystal plasticity: expressing grain boundaries as geometrically necessary dislocations Open
The standard way of modeling plasticity in polycrystals is by using the crystal plasticity model for single crystals in each grain, and imposing suitable traction and slip boundary conditions across grain boundaries. In this fashion, the s…
View article: Diffuse-interface polycrystal plasticity: Expressing grain boundaries as geometrically necessary dislocations
Diffuse-interface polycrystal plasticity: Expressing grain boundaries as geometrically necessary dislocations Open
The standard way of modeling plasticity in polycrystals is by using the crystal plasticity model for single crystals in each grain, and imposing suitable traction and slip boundary conditions across grain boundaries. In this fashion, the s…
View article: Diffuse-interface polycrystal plasticity: Expressing grain boundaries as\n geometrically necessary dislocations
Diffuse-interface polycrystal plasticity: Expressing grain boundaries as\n geometrically necessary dislocations Open
The standard way of modeling plasticity in polycrystals is by using the\ncrystal plasticity model for single crystals in each grain, and imposing\nsuitable traction and slip boundary conditions across grain boundaries. In this\nfashion, th…
View article: A non-singular theory of dislocations in anisotropic crystals
A non-singular theory of dislocations in anisotropic crystals Open
We develop a non-singular theory of three-dimensional dislocation loops in a particular version of Mindlin's anisotropic gradient elasticity with up to six length scale parameters. The theory is systematically developed as a generalization…
View article: The atomistic representation of first strain-gradient elastic tensors
The atomistic representation of first strain-gradient elastic tensors Open
View article: A diffuse-interface elasto-plastic model to study grain boundary evolution
A diffuse-interface elasto-plastic model to study grain boundary evolution Open