| Matminer: An open source toolkit for materials data mining |
69 |
| DAMASK - The Dusseldorf Advanced Material Simulation Kit for modeling multi-physics crystal plasticity, thermal, and damage phenomena from the single crystal up to the component scale |
53 |
| Accelerating high-throughput searches for new alloys with active learning of interatomic potentials |
42 |
| Deep learning approaches for mining structure-property linkages in high contrast composites from simulation datasets |
32 |
| Three-dimensional modeling of the microstructure evolution during metal additive manufacturing |
29 |
| Electronic and magnetic properties of single-layer boron phosphide associated with materials processing defects |
25 |
| Heat and fluid flow in additive manufacturing-Part I: Modeling of powder bed fusion |
24 |
| Predicting the thermodynamic stability of perovskite oxides using machine learning models |
23 |
| A data-driven statistical model for predicting the critical temperature of a superconductor |
23 |
| Improving direct physical properties prediction of heterogeneous materials from imaging data via convolutional neural network and a morphology-aware generative model |
21 |
| Heat and fluid flow in additive manufacturing - Part II: Powder bed fusion of stainless steel, and titanium, nickel and aluminum base alloys |
20 |
| Bending rigidity of two-dimensional titanium carbide (MXene) nanoribbons: A molecular dynamics study |
20 |
| Simple data and workflow management with the signac framework |
19 |
| Objective microstructure classification by support vector machine (SVM) using a combination of morphological parameters and textural features for low carbon steels |
17 |
| Numerical investigation of effects of nucleation mechanisms on grain structure in metal additive manufacturing |
17 |
| First-principle investigation of pressure and temperature influence on structural, mechanical and thermodynamic properties of Ti(3)AC(2) (A = Al and Si) |
16 |
| Multiscale concurrent topology optimization for cellular structures with multiple microstructures based on ordered SIMP interpolation |
16 |
| A sensitivity analysis of the columnar-to-equiaxed transition for Ni-based superalloys in electron beam additive manufacturing |
16 |
| Phase-field lattice Boltzmann simulations of multiple dendrite growth with motion, collision, and coalescence and subsequent grain growth |
16 |
| Residual stresses and distortion in additively manufactured compositionally graded and dissimilar joints |
15 |
| Designing dual-phase steels with improved performance using ANN and GA in tandem |
15 |
| Effects of recovery and side flow on surface generation in nano-cutting of single crystal silicon |
14 |
| Calibration of nonlocal strain gradient shell model for vibration analysis of a CNT conveying viscous fluid using molecular dynamics simulation |
14 |
| The effects of oxygen vacancies on ferroelectric phase transition of HfO2-based thin film from first-principle |
14 |
| Initiation of heterogeneous Schrock-type Mo and W oxide metathesis catalysts: A quantum thermochemical study |
14 |
| Dynamic Monte Carlo simulations of effects of nanoparticle on polymer crystallization in polymer solutions |
14 |
| Machine learning for phase selection in multi-principal element alloys |
13 |
| Calculating electronic stopping power in materials from first principles |
13 |
| Phase field-elasticity analysis of austenite-martensite phase transformation at the nanoscale: Finite element modeling |
13 |
| Electrical and mechanical properties of a fully hydrogenated two-dimensional polyaniline sheet |
13 |
| Mechanical responses of pristine and defective C3N nanosheets studied by molecular dynamics simulations |
13 |
| Elastic properties and thermal expansion of lead-free halide double perovskite Cs2AgBiBr6 |
13 |
| Understanding migration barriers for monovalent ion insertion in transition metal oxide and phosphate based cathode materials: A DFT study |
12 |
| First-principles investigation on the chemical bonding, elastic properties and ideal strengths of MoAlB and WAlB nanolaminated MAB phases |
12 |
| Advanced microstructure classification by data mining methods |
12 |
| Representative volume element (RVE) based crystal plasticity study of void growth on phase boundary in titanium alloys |
12 |
| Two-dimensional Janus transition-metal dichalcogenides with intrinsic ferromagnetism and half-metallicity |
12 |
| Predictive modeling of dynamic fracture growth in brittle materials with machine learning |
12 |
| Deciphering the atomic genome of glasses by topological constraint theory and molecular dynamics: A review |
12 |
| Mechanical properties of defective hybrid graphene-boron nitride nanosheets: A molecular dynamics study |
12 |
| First principles study of the electronic properties and Schottky barrier in vertically stacked graphene on the Janus MoSeS under electric field |
12 |
| Improved LDA-1/2 method for band structure calculations in covalent semiconductors |
12 |
| Numerical microstructure prediction by a coupled finite element cellular automaton model for selective electron beam melting |
11 |
| Electronic structure and thermoelectric properties of Ta-based half-Heusler compounds with 18 valence electrons |
11 |
| An efficient machine learning approach to establish structure-property linkages |
11 |
| Learning to fail: Predicting fracture evolution in brittle material models using recurrent graph convolutional neural networks |
11 |
| Tensile mechanical characteristics and deformation mechanism of metal-graphene nanolayered composites |
11 |
| Integrated computational materials engineering for advanced materials: A brief review |
11 |
| An automated procedure for geometry creation and finite element mesh generation: Application to explicit grain structure models and machining distortion |
11 |
| Theoretical study of the adsorption of SF6 decomposition components on Ni (111) surface |
11 |
