Khanh Dang
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View article: Dislocation-Grain Boundary Interaction Dataset for FCC Cu
Dislocation-Grain Boundary Interaction Dataset for FCC Cu Open
Interactions between dislocations and grain boundaries play a major role in controlling the strength and ductility of structural materials. Experimentally, assessing and probing geometric and stress-based criteria at the local level for di…
View article: Vanadium redox flow batteries: Exploring stability with in-situ electrochemically produced nitric acid pretreated enhanced graphene-coated pencil graphite electrodes
Vanadium redox flow batteries: Exploring stability with in-situ electrochemically produced nitric acid pretreated enhanced graphene-coated pencil graphite electrodes Open
View article: Exploring the relation between transonic dislocation glide and stacking fault width in FCC metals
Exploring the relation between transonic dislocation glide and stacking fault width in FCC metals Open
Theory predicts limiting gliding velocities that dislocations cannot overcome. Computational and recent experiments have shown that these limiting velocities are soft barriers and dislocations can reach transonic speeds in high rate plasti…
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: A new modified embedded atom method (MEAM) potential to understand plasticity in VNbTaTiZr refractory high-entropy alloys
A new modified embedded atom method (MEAM) potential to understand plasticity in VNbTaTiZr refractory high-entropy alloys Open
View article: Structure and migration of heavily irradiated grain boundaries and dislocations in Ni in the athermal limit
Structure and migration of heavily irradiated grain boundaries and dislocations in Ni in the athermal limit Open
The microstructural evolution at and near preexisting grain boundaries (GBs) and dislocations in materials under high radiation doses is still poorly understood. In this work, we use the creation relaxation algorithm (CRA) developed for at…
View article: Exploring the relation between transonic dislocation glide and stacking fault width in FCC metals
Exploring the relation between transonic dislocation glide and stacking fault width in FCC metals Open
Theory predicts limiting gliding velocities that dislocations cannot overcome. Computational and recent experiments have shown that these limiting velocities are soft barriers and dislocations can reach transonic speeds in high rate plasti…
View article: Interplay between dislocation type and local structure in dislocation-twin boundary reactions in Cu
Interplay between dislocation type and local structure in dislocation-twin boundary reactions in Cu Open
Dislocation-twin boundary interactions in Cu are systematically studied using molecular dynamics simulations. Specifically, interactions between screw dislocations and 60\ifmmode^\circ\else\textdegree\fi{} mixed dislocations with both cohe…
View article: Elastic shielding mediated by deformation twin facets in hexagonal close-packed metals
Elastic shielding mediated by deformation twin facets in hexagonal close-packed metals Open
View article: The structure and migration of heavily irradiated grain boundaries and dislocations in Ni in the athermal limit
The structure and migration of heavily irradiated grain boundaries and dislocations in Ni in the athermal limit Open
The microstructural evolution at and near pre-existing grain boundaries (GBs) and dislocations in materials under high radiation doses is still poorly understood. In this work, we use the creation relaxation algorithm (CRA) developed for a…
View article: Mechanistic modeling of creep and aging for time extrapolation in LPBF 316 SS
Mechanistic modeling of creep and aging for time extrapolation in LPBF 316 SS Open
View article: Fabrication of activated carbon from Acacia Crassicarpa bark by carbothermal functionalization for adsorptive removal the dyes in aqueous solution
Fabrication of activated carbon from Acacia Crassicarpa bark by carbothermal functionalization for adsorptive removal the dyes in aqueous solution Open
Activated carbon adsorbent prepared from Acacia Crassicarpa bark has been successfully synthesized via carbonization and chemical activation processes to investigate the elimination of hazardous dyes in industrial wastewater, specifically …
View article: Role of microscopic degrees of freedom in mechanical response of bicrystal nanopillars
Role of microscopic degrees of freedom in mechanical response of bicrystal nanopillars Open
This study investigated the high-strain rate deformation of bicrystal Cu nanopillars, using atomistic simulations. Nanopillars with minimum grain boundary energy were deformed to investigate the role of macroscopic degrees of freedom, find…
View article: Preliminary prediction of long-term aging and creep behavior of AM 316 SS
Preliminary prediction of long-term aging and creep behavior of AM 316 SS Open
This report describes the development of initial mechanism models for the long term behavior of additively manufactured (AM), laser powder-bed fusion 316H stainless steel under the conditions expected in future advanced nuclear reactors. T…
View article: Properties of Accelerating Edge Dislocations in Arbitrary Slip Systems with Reflection Symmetry
Properties of Accelerating Edge Dislocations in Arbitrary Slip Systems with Reflection Symmetry Open
We discuss the theoretical solution to the differential equations governing accelerating edge dislocations in anisotropic crystals. This is an important prerequisite to understanding high-speed dislocation motion, including an open questio…
View article: Hybrid interatomic potential for Sn
Hybrid interatomic potential for Sn Open
To design materials for extreme applications, it is important to understand and predict phase transitions and their influence on material properties under high pressures and temperatures. Atomistic modeling can be a useful tool to assess t…
View article: Properties of accelerating edge dislocations in arbitrary slip systems with reflection symmetry
Properties of accelerating edge dislocations in arbitrary slip systems with reflection symmetry Open
We discuss the theoretical solution to the differential equations governing accelerating edge dislocations in anisotropic crystals. This is an important prerequisite to understanding high speed dislocation motion, including an open questio…
View article: Sensitivity of Dislocation-GB interactions to simulation setups in atomistic models
Sensitivity of Dislocation-GB interactions to simulation setups in atomistic models Open
View article: LAVA 1.0: A general-purpose python toolkit for calculation of material properties with LAMMPS and VASP
LAVA 1.0: A general-purpose python toolkit for calculation of material properties with LAMMPS and VASP Open
View article: Consolidation of alumina toughened zirconia by two-step sintering
Consolidation of alumina toughened zirconia by two-step sintering Open
Sol-gel-synthesized ZrO2-based nanoparticles, containing 1.5mol% Y2O3 used as dopant and 25mol% Al2O3 (abbreviated as ZrO2(1.5Y)-25Al2O3), were densified by pulsed electric current sintering (PECS) accompanied with a two-step heating profi…
View article: The role of deviatoric stress and dislocations on the α to ω phase transformation in Ti
The role of deviatoric stress and dislocations on the α to ω phase transformation in Ti Open
View article: Limiting velocities and transonic dislocations in Mg
Limiting velocities and transonic dislocations in Mg Open
View article: Limiting velocities and transonic dislocations in Mg
Limiting velocities and transonic dislocations in Mg Open
To accurately predict the mechanical response of materials, especially at high strain rates, it is important to account for dislocation velocities in these regimes. Under these extreme conditions, it has been hypothesized that dislocations…
View article: Numerical and experimental characterization of twin transmission across grain boundaries along the forward and lateral directions
Numerical and experimental characterization of twin transmission across grain boundaries along the forward and lateral directions Open
View article: LAVA
LAVA Open
We introduce LAVA, a general-purpose python toolkit to provide user-friendly and high throughput calculations for material properties using both LAMMPS and VASP. It contains a set of classes as well as pre-processing and post-processing fu…
View article: The Role of Deviatoric Stress and Dislocations on the α to ω Phase Transformation in Ti
The Role of Deviatoric Stress and Dislocations on the α to ω Phase Transformation in Ti Open
View article: Adsorptive removal of methyl orange and methylene blue from aqueous solutions with Acacia crassicarpa activated carbon
Adsorptive removal of methyl orange and methylene blue from aqueous solutions with Acacia crassicarpa activated carbon Open
In this study, activated carbon prepared from Acacia crassicarpa barkwas prepared and studied for the potential development of low-cost, carbon-based adsorbents that remove industrial dyes from aqueous solutions. Various spectroscopy techn…
View article: Atomistic and phase field simulations of three dimensional interactions of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si1.svg"> <mml:mrow> <mml:mo>{</mml:mo> <mml:mrow> <mml:mn>10</mml:mn> <mml:mover accent="true"> <mml:mn>1</mml:mn> <mml:mo>¯</mml:mo> </mml:mover> <mml:mn>2</mml:mn> </mml:mrow> <mml:mo>}</mml:mo> </mml:mrow> </mml:math> twins with grain boundaries in Mg: Twin transmission and dislocation emission
Atomistic and phase field simulations of three dimensional interactions of twins with grain boundaries in Mg: Twin transmission and dislocation emission Open
View article: Deformation twinning versus slip in Ni-based alloys, containing Pt2Mo-structured, Ni2Cr-typed precipitates
Deformation twinning versus slip in Ni-based alloys, containing Pt2Mo-structured, Ni2Cr-typed precipitates Open
Nickel-based alloys are extensively used in a wide range of extreme environments because of their exceptional mechanical properties. The excellent strength of these alloys is derived from the addition of long-range ordered precipitates, in…
View article: The <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si3.svg"> <mml:mrow> <mml:mo>{</mml:mo> <mml:mrow> <mml:mn>10</mml:mn> <mml:mover accent="true"> <mml:mn>1</mml:mn> <mml:mo>¯</mml:mo> </mml:mover> <mml:mn>2</mml:mn> </mml:mrow> <mml:mo>}</mml:mo> </mml:mrow> </mml:math> non-cozone twin-twin interactions in Mg: A stability and mobility study using 3-D atomistic simulations
The non-cozone twin-twin interactions in Mg: A stability and mobility study using 3-D atomistic simulations Open