Computational Materials Science

Title Publication Date Language Citations
Interface mobility in case of the austenite-to-ferrite phase transformation2006/08/01English50
Computational simulation of metal droplet break-up, cooling and solidification during gas atomisation2008/08/01English50
Elastic constants of AlB2-type compounds from first-principles calculations2012/01/01English50
Finite element simulation of nano-indentation experiment on aluminum 11002014/01/01English50
Stability of binary and ternary M23C6 carbides from first principles2015/01/01English50
SPH/FE modeling of cutting force and chip formation during thermally assisted machining of Ti6Al4V alloy2014/03/01English50
Simulation of the deformation of polycrystalline nanostructured Ti by computational homogenization2013/08/01English50
Computing the effective bulk and normal to shear properties of common two-dimensional architectured materials2018/11/01English50
An atomic-level understanding of the strengthening mechanism of aluminum matrix composites reinforced by aligned carbon nanotubes2017/02/01English50
Modeling structures of open cell foams2017/04/01English50
First-principles elastic and bonding properties of barium chalcogenides2006/12/01English50
An artificial neural network modeling approach for short and long fatigue crack propagation2020/12/01English50
Residual stress and elastic recovery of imprinted Cu-Zr metallic glass films using molecular dynamic simulation2019/12/01English50
Numerical analysis of residual stresses in welds of similar or dissimilar steel weldments under superimposed tensile loads2007/10/01English50
Validation of a novel higher-order multi-phase-field model for grain-growth simulations using anisotropic grain-boundary properties2016/02/01English49
Molecular dynamics study of strain rate effects on tensile behavior of single crystal titanium nanowire2017/02/01English49
Bandgap engineering of Janus MoSSe monolayer implemented by Se vacancy2018/09/01English49
Relationship between thermal conductivity and framework architecture in MOF-52014/11/01English49
Overcoming the limitations of distinct element method for multiscale modeling of materials with multimodal internal structure2015/05/01English49
Simulation of channel segregation using a two-phase columnar solidification model – Part I: Model description and verification2012/04/01English49
Atomistic simulation of the influence of nanomachining-induced deformation on subsequent nanoindentation2012/06/01English49
First-principles investigations of electronic and mechanical properties for stable Ge2Sb2Te5 with van der Waals corrections2014/02/01English49
Molecular dynamics simulations of carbon nanotube dispersions in water: Effects of nanotube length, diameter, chirality and surfactant structures2012/02/01English49
Asymptotic homogenisation in linear elasticity. Part II: Finite element procedures and multiscale applications2009/06/01English49
Wave propagation characteristics in fluid-conveying double-walled nanotubes with scale effects2010/04/01English49
Analysis of excited droplet oscillation and detachment in active control of metal transfer2004/09/01English49
Fretting modelling with a crystal plasticity model of Ti6Al4V2006/11/01English49
Prediction study of structural and elastic properties under pressure effect of CdX2O4 (X=Al,Ga,In) spinel oxides2007/05/01English49
A multi-fidelity information-fusion approach to machine learn and predict polymer bandgap2020/02/01English49
Finite element simulation of the compressive response of additively manufactured lattice structures with large diameters2020/04/01English49