| Avalanches and plastic flow in crystal plasticity: an overview |
10 |
| Atomistic modeling of fracture |
10 |
| Transferability of interatomic potentials for molybdenum and silicon |
10 |
| Evaluating variability with atomistic simulations: the effect of potential and calculation methodology on the modeling of lattice and elastic constants |
9 |
| Impact of dataset uncertainties on machine learning model predictions: the example of polymer glass transition temperatures |
8 |
| A comparison of different continuum approaches in modeling mixed-type dislocations in Al |
8 |
| Grain boundaries in bcc-Fe: a density-functional theory and tight-binding study |
7 |
| Competitive growth during directional solidification of a binary alloy with natural convection: two-dimensional phase-field study |
7 |
| Application of Gaussian process autoregressive models for capturing the time evolution of microstructure statistics from phase-field simulations for sintering of polycrystalline ceramics |
7 |
| New interatomic potential for Mg-Al-Zn alloys with specific application to dilute Mg-based alloys |
7 |
| Phase field modeling to transformation induced plasticity in super-elastic NiTi shape memory alloy single crystal |
7 |
| Direct prediction of the solute softening-to-hardening transition in W-Re alloys using stochastic simulations of screw dislocation motion |
7 |
| Ab initio-informed phase-field modeling of dislocation core structures in equal-molar CoNiRu multi-principal element alloys |
7 |
| Atomistic approaches to cleavage of interfaces |
6 |
| Microstructure-sensitive mechanical properties of nanoporous gold: a molecular dynamics study |
6 |
| Understanding homogeneous nucleation in solidification of aluminum by molecular dynamics simulations |
6 |
| Micrometer-scale molecular dynamics simulation of microstructure formation linked with multi-phase-field simulation in same space scale |
6 |
| Thermal transport properties of single-layer black phosphorus from extensive molecular dynamics simulations |
5 |
| VoroTop: Voronoi cell topology visualization and analysis toolkit |
5 |
| A multiscale model of protein adsorption on a nanoparticle surface |
5 |
| Structural transformations during periodic deformation of low-porosity amorphous materials |
5 |
| Modeling of grain growth under fully anisotropic grain boundary energy |
5 |
| Uncertainties in the predictions of thermo-physical properties of thermo-plastic polymers via molecular dynamics |
5 |
| Plane and plane-radial discrete breathers in fcc metals |
5 |
| Matching time and spatial scales of rapid solidification: dynamic TEM experiments coupled to CALPHAD-informed phase-field simulations |
5 |
| Shear response of grain boundaries with metastable structures by molecular dynamics simulations |
5 |
| Structural and elastic properties of amorphous carbon from simulated quenching at low rates |
5 |
| An efficient numerical framework for the amplitude expansion of the phase-field crystal model |
4 |
| Computational modeling of electrically conductive networks formed by graphene nanoplatelet-carbon nanotube hybrid particles |
4 |
| Noise spectra in the reversible-irreversible transition in amorphous solids under oscillatory driving |
4 |
| Effects of microscale damage evolution on piezoresistive sensing in nanocomposite bonded explosives under dynamic loading via electromechanical peridynamics |
4 |
| The influence of anisotropy on the core structure of Shockley partial dislocations within FCC materials |
4 |
| Extension of the visco-plastic self-consistent model to account for elasto-visco-plastic behavior using a perturbed visco-plastic approach |
4 |
| Advanced approach to the local structure reconstruction and theory validation on the example of the W L-3-edge extended x-ray absorption fine structure of tungsten |
4 |
| Uncertainty quantification of the parameters and predictions of a phenomenological constitutive model for thermally induced phase transformation in Ni-Ti shape memory alloys |
4 |
| Modified embedded-atom method interatomic potential for Mg-Y alloys |
4 |
| Thermoelectric properties of four typical silicon allotropes |
4 |
| A multi-scale, multi-physics modeling framework to predict spatial variation of properties in additive-manufactured metals |
4 |
| Direct numerical simulation of mechanical response in synthetic additively manufactured microstructures |
4 |
| Development of a Ni-Mo interatomic potential for irradiation simulation |
4 |
| Micromechanical modelling of mechanochemical processes in heterogeneous materials |
4 |
| Phase-field modeling of pores and precipitates in polycrystalline systems |
4 |
| Ordering of carbon in highly supersaturated alpha-Fe |
4 |
| Mechanical instabilities in the modeling of phase transitions of titanium |
4 |
| Stochastic model for the 3D microstructure of pristine and cyclically aged cathodes in Li-ion batteries |
4 |
| Acceleration of phase-field lattice Boltzmann simulation of dendrite growth with thermosolutal convection by the multi-GPUs parallel computation with multiple mesh and time step method |
4 |
| Simulation of temperature, stress and microstructure fields during laser deposition of Ti-6Al-4V |
4 |
| GPU-accelerated dislocation dynamics using subcycling time-integration |
4 |
| Analyzing the cross slip motion of screw dislocations at finite temperatures in body-centered-cubic metals: molecular statics and dynamics studies |
4 |
| Controlled irradiation hardening of tungsten by cyclic recrystallization |
3 |
