Computational Materials Science

Titel Veröffentlichungsdatum Sprache Zitate
Alloying element additions to Ni3Al: Site preferences and effects on elastic properties from first-principles calculations2012/02/01English123
Optimized atomic-like orbitals for first-principles tight-binding molecular dynamics2007/06/01English123
Descriptor-based methodology for statistical characterization and 3D reconstruction of microstructural materials2014/04/01English122
Heat and fluid flow in additive manufacturing—Part I: Modeling of powder bed fusion2018/07/01English122
Bending rigidity of two-dimensional titanium carbide (MXene) nanoribbons: A molecular dynamics study2018/02/01English122
Numerical and experimental investigations on the residual stresses of the butt-welded joints2004/04/01English122
A combined Johnson–Cook and Zerilli–Armstrong model for hot compressed typical high-strength alloy steel2010/09/01English122
Structural and elastic properties of cubic and hexagonal TiN and AlN from first-principles calculations2010/05/01English121
Numerical study of alloying element distribution in CO2 laser–GMA hybrid welding2010/10/01English121
Molecular dynamics simulation on interfacial mechanical properties of polymer nanocomposites with wrinkled graphene2015/10/01English120
Informatics-aided bandgap engineering for solar materials2014/02/01English119
A theoretical analysis of flexional bending of Al/Al2O3 S-FGM thick beams2009/02/01English119
Measurements and modelling of interfacial tension for water + carbon dioxide systems at elevated pressures2007/01/01English119
First-principles calculations of the structural, electronic and optical properties of CuGaS2 and AgGaS22006/11/01English117
Multi-phase-field simulations for dynamic recrystallization2009/06/01English116
Molecular dynamics study of the mechanical behavior of nickel nanowire: Strain rate effects2008/02/01English116
Modelling the effect of microstructural banding on the flow curve behaviour of dual-phase (DP) steels2012/02/01English115
A micromechanical damage simulation of dual phase steels using XFEM2012/03/01English115
First-principles studies on lattice constants and local lattice distortions in solid solution aluminum alloys2013/02/01English114
Modeling of nano-reinforced polymer composites: Microstructure effect on Young’s modulus2012/07/01English114
Elastic buckling of single-layered graphene sheet2009/04/01English114
Pull-out simulations on interfacial properties of carbon nanotube-reinforced polymer nanocomposites2011/04/01English114
A two-stage multi-fidelity optimization procedure for honeycomb-type cellular materials2010/09/01English114
Molecular dynamics simulation model for the quantitative assessment of tool wear during single point diamond turning of cubic silicon carbide2012/01/01English114
Strengthening mechanism in micro-polycrystals with penetrable grain boundaries by discrete dislocation dynamics simulation and Hall–Petch effect2009/10/01English113
Improving direct physical properties prediction of heterogeneous materials from imaging data via convolutional neural network and a morphology-aware generative model2018/07/01English113
Elastic and electronic properties of Pbca-BN: First-principles calculations2014/04/01English113
Determination of deformation and failure properties of ductile materials by means of the small punch test and neural networks2003/11/01English111
Static analysis of functionally graded short beams including warping and shear deformation effects2008/12/01English109
Nonequilibrium free-energy calculation of solids using LAMMPS2016/02/01English109