Computational Materials Science

Title Publication Date Language Citations
Prediction of the hot deformation behavior for Aermet100 steel using an artificial neural network2010/05/01English56
Study the effect of martensite banding on the failure initiation in dual-phase steel2014/05/01English56
Studies of crack growth and propagation of single-crystal nickel by molecular dynamics2015/05/01English56
Molecular dynamics simulations of the nanoindentation process of titanium crystal2013/08/01English56
Exact solutions for rectangular Mindlin plates under in-plane loads resting on Pasternak elastic foundation. Part I: Buckling analysis2009/01/01English56
A molecular dynamics simulation study of inclusion size effect on polymeric nanocomposites2007/11/01English56
Investigating thermal conductivities of functionalized graphene and graphene/epoxy nanocomposites2016/09/01English56
First-principles study of vacancy, interstitial, noble gas atom interstitial and vacancy clusters in bcc-W2016/10/01English56
Modeling and simulation of dynamic recrystallization behaviors of magnesium alloy AZ31B using cellular automaton method2017/08/01English56
Crack propagation behaviors at Cu/SiC interface by molecular dynamics simulation2014/02/01English56
Numerical modelling of droplet break-up for gas atomisation2006/12/01English56
Failure analysis of DP600 steel during the cross-die test2012/11/01English56
A new method to establish dynamic recrystallization kinetics model of a typical solution-treated Ni-based superalloy2016/09/01English56
Phonon spectra from short non-thermally equilibrated molecular dynamics simulations1994/03/01English56
First-principles equation of state and phase stability of niobium pentoxide2014/01/01English56
The effect of rough surface on nanoscale high speed grinding by a molecular dynamics simulation2015/02/01English55
A physically-based constitutive model for a nitrogen alloyed ultralow carbon stainless steel2015/02/01English55
Effect of the Zener-Hollomon parameter on the dynamic recrystallization kinetics of Mg–Zn–Zr–Yb magnesium alloy2019/08/01English55
Deformation of copper particles upon impact: A molecular dynamics study of cold spray2020/01/01English55
Mechanism of surface nanostructure changing wettability: A molecular dynamics simulation2020/01/01English55
Intriguing of two-dimensional Janus surface-functionalized MXenes: An ab initio calculation2020/01/01English55
Mechanical properties of double-layered graphene sheets2013/03/01English55
Ab initio study of the NO2 and SO2 adsorption on Al12N12 nano-cage sensitized with gallium and magnesium2013/11/01English55
Comparison of computational water models for simulation of calcium–silicate–hydrate2012/02/01English55
Anisotropic and temperature effects on mechanical properties of copper nanowires under tensile loading2011/08/01English55
Vibration characteristics of fluid-conveying carbon nanotubes with curved longitudinal shape2010/06/01English55
First-principles study of ground state properties of ZrH22011/12/01English55
Generation of 3D polycrystalline microstructures with a conditioned Laguerre-Voronoi tessellation technique2017/08/01English55
Characterisation of microstructure and modelling of flow behaviour of bainite-aided dual-phase steel2013/12/01English55
Modeling the microstructural evolution of Ni-base superalloys by phase field method combined with CALPHAD and CVM2007/06/01English55