Computational Materials Science

Title Publication Date Language Citations
A new point of view to determine the simulation temperature for the Potts model simulation of grain growth2014/04/01English52
Modeling of textured aluminum alloys used in a bumper system: Material tests and characterization2006/09/01English52
Characterizing DP-steels using micromechanical modeling of cells2007/04/01English52
Characterization of material properties and heat source parameters in welding simulation of two overlapping beads on a substrate plate2013/03/01English52
Microstructure-based modeling of permeability of cementitious materials using multiple-relaxation-time lattice Boltzmann method2013/02/01English52
Critical assessment of models for predicting the Ms temperature of steels2005/12/01English52
Electronic structures and magnetic properties in nonmetallic element substituted MoS2 monolayer2015/09/01English52
Strain control of the electronic structures, magnetic states, and magnetic anisotropy of Fe doped single-layer MoS22015/12/01English52
Micromechanical modelling of mechanical behaviour and strength of wood: State-of-the-art review2008/12/01English52
Modeling of the APS plasma spray process using artificial neural networks: basis, requirements and an example2004/03/01English52
An enhanced Johnson–Cook strength model for splitting strain rate and temperature effects on lower yield stress and plastic flow2016/02/01English52
A computational model of peridynamic theory for deflecting behavior of crack propagation with micro-cracks2019/05/01English52
Electronic and optical properties of vanadium oxides from first principles2018/04/01English52
First-principles study of hydrogen segregation at the MgZn2 precipitate in Al-Mg-Zn alloys2018/06/01English52
Effects of Hubbard term correction on the structural parameters and electronic properties of wurtzite ZnO2017/10/01English51
Stochastic geometrical modeling of solid oxide cells electrodes validated on 3D reconstructions2018/02/01English51
3D microstructural reconstruction of heterogeneous materials from 2D cross sections: A modified phase-recovery algorithm2016/01/01English51
Spectral methods for full-field micromechanical modelling of polycrystalline materials2020/02/01English51
TransOpt. A code to solve electrical transport properties of semiconductors in constant electron–phonon coupling approximation2021/01/01English51
A Potts model for junction limited grain growth2011/07/01English51
Modeling and finite element analysis on GTAW arc and weld pool2004/03/01English51
Robust FCC solute diffusion predictions from ab-initio machine learning methods2017/06/01English51
Benchmark problems for numerical implementations of phase field models2017/01/01English51
Designing two-dimensional metamaterials of controlled static and dynamic properties2017/10/01English51
Micromechanics based modeling of Dual Phase steels: Prediction of ductility and failure modes2012/04/01English51
Modelling of microcracks initiation and evolution along interfaces of the WC/Co composite by the finite element method2014/02/01English51
Structural, chemical bonding, electronic and magnetic properties of KMF3 (M = Mn, Fe, Co, Ni) compounds2014/04/01English51
Temperature, defect and size effect on the elastic properties of imperfectly straight carbon nanotubes by using molecular dynamics simulation2013/04/01English51
On molecular statics and surface-enhanced continuum modeling of nano-structures2013/03/01English51
Advanced volumetric method for fatigue life prediction using stress gradient effects at notch roots2007/05/01English51