Genetic Algorithm Optimization of Langevin Thermostat and Thermal Properties of Graphene-Aluminum Nanocomposites: A Molecular Dynamics

2024-9-17

Cellular automaton simulation of solid-phase grain growth under conditions involving scanning heat sources and temperature gradients

2024-9-17

Plastic Deformation Mechanism of γ Phase Fe-Cr Alloy Revealed by Molecular Dynamics Simulations

2024-9-10

Mechanical-electric-magnetic-thermal coupled enriched finite element method for magneto-electro-elastic structures

2024-9-9

A nonlinear phase-field model of corrosion with charging kinetics of electric double layer

2024-9-2

Molecular dynamics simulations of high-energy radiation damage in hcp-titanium considering electronic effects

2024-8-28

Effect of helium bubbles on the mobility of edge dislocations in copper

2024-8-28

Tensile strength prediction of steel sheets: An insight into data-driven models, dimensionality reduction, and feature importance

2024-8-15

A Coupled Crystal Inelasticity-Phase Field Model for Crack Growth in Polycrystalline Nitinol Microstructures

2024-8-15

DFT analysis of Re-modified WSe2 monolayers for adsorption of CO, C2H2, and C2H4

2024-8-15

A Model for the precipitate transformation of Mg-Si-rich clusters into Mg5Si6 β’’ in Al-Mg-Si aluminum alloys

2024-8-13

Characterizing Nonlinear Constitutive Behaviors of Fiber Metal Laminates

2024-8-13

First-principles study of the interaction of solutes with Σ3(11-1) symmetric tilt grain boundaries in α-Fe

2024-8-13

Atomistic simulations of incident dislocation interactions with nickel grain boundaries

2024-8-13

Interface stabilization and propagation in phase field models of solidification: resolving the issue of large driving forces

2024-8-13

Crack configuration influence on fracture behavior and stress shielding: insights from molecular dynamics simulations

2024-8-12

Effect of UEVC parameters on cutting surface quality and subsurface damage of single crystal γ-TiAl alloy via atomic simulation

2024-8-12

Effect of Bi content and temperature on the shear mechanical properties of Fe-Bi nanocomposites: a molecular dynamics study

2024-8-8

Machining Mechanism of CoCrFeNiAlX High Entropy Alloys via Ultrasonic Elliptical Vibration Cutting

2024-8-7

A High-throughput Statistical Homogenization Technique to Convert Realistic Microstructure into Idealized Periodic Unit Cells

2024-8-7

A Route for Tunable C-Vo Doped Perovskite SrTiO3Functionalities Through Epitaxial Strain Engineering

2024-7-23

Crystal structure identification with 3D convolutional neural networks with application to high-pressure phase transitions in SiO₂

2024-7-18

Temperature effects on the sheath-core bar interface of compositeinsulators: a molecular dynamics and DFT study

2024-7-18

Resolving crystallographic geometrically necessary dislocations in three dimensions in a hexagonal close packed titanium alloy

2024-7-18

Benchmarking machine learning strategies for phase-field problems

2024-7-15

Grand-potential phase field simulations of droplet growth and sedimentation in a two-phase ternary fluid

2024-7-12

Mechanical performance simulation and optimal design of carbon fiber composite B-pillar

2024-7-11

Screw dislocation dipoles in niobium: combination of STM observations and atomistic simulations

2024-7-9

Analytical Design of Electrode Particle Debonding for Battery Applications

2024-7-4

Roadmap on Data-Centric Materials Science

2024-7-3

Polycrystalline silicon, a molecular dynamics study: I. Deposition and growth modes

2024-7-2

Polycrystalline silicon, a molecular dynamics study: II. Grains, grain boundaries and their structure

2024-7-2

Atomic thermal fluctuation reduction method for robust local lattice structure identification in finite-temperature molecular dynamics

2024-7-2

First Principles Validation of Energy Barriers inNi₇₅Al₂₅

2024-6-27

A machine learning framework for the prediction of grain boundary segregation in chemically complex environments

2024-6-26

Solute segregation in a moving grain boundary: A phase-field approach

2024-6-26

TCAD Simulation Of Germanium-based Heterostructure Solar Cell employing Molybdenum Oxide as a Hole-Selective Layer

2024-6-25

The property of CrCoNiFeMnAl _x (x=0, 0.5, and 1) high-entropy alloys on rapid cooling: insights from ab initio molecular dynamics

2024-6-25

Simulation of taper heating and variable pressing rate to improve extrusion performance for high-strength aluminum alloys

2024-6-20

Molecular dynamics insights on the self-interstitial diffusion in α-Beryllium

2024-6-20

A DFT Study on Structural, Electronic, and Optical properties of Cubic Perovskite Semiconductors InXF3 (X=Be and Ca) for Optoelectronic Applications.

2024-6-20

SCAPS 1D based study of hole and electron transfer layers to improve MoS2−ZrS2 solar cell efficiency

2024-6-20

Atomic Insight into Nanoindentation Response of Nanotwinned FeCoCrNiCu High Entropy Alloys

2024-6-13

Atomistic study of intermetallics of Fe-Al-Zn system and their interfacial properties

2024-6-13

The role of Sn grain orientation in Cu depletion of Sn-based solders

2024-6-11

The role of unit cell topology in modulating the compaction response of additively manufactured cellular materials using simulations and validation experiments

2024-6-10

Prediction of Martensitic Transformation Start Temperature of Steel Using Thermodynamic Model, Empirical Formulas, and Machine Learning Models

2024-6-6

Electronic and optical properties of ternary kagome Rb₂Ni₃S₄: A density functional study

2024-6-6

Crystal orbital overlap population based on all-electron ab initio simulation with numeric atom-centered orbitals and its application to chemical-bonding analysis in Li-intercalated layered materials

2024-6-6

Simulating hindered grain boundary diffusion using the smoothed boundary method

2024-6-6