Computational Materials Science

Title Publication Date Language Citations
Modelling of the hot deformation behaviour of a titanium alloy using constitutive equations and artificial neural network2014/09/01English135
Analysis of laminated composite plates integrated with piezoelectric sensors and actuators using higher-order shear deformation theory and isogeometric finite elements2015/01/01English134
Interphase effect on the elastic and thermal conductivity response of polymer nanocomposite materials: 3D finite element study2013/03/01English134
CALYPSO structure prediction method and its wide application2016/02/01English133
Indices for self-healing performance assessments based on molecular dynamics simulation of asphalt binders2016/03/01English133
A RESTful API for exchanging materials data in the AFLOWLIB.org consortium2014/10/01English133
Three-dimensional convolutional neural network (3D-CNN) for heterogeneous material homogenization2020/11/01English133
FP-APW+lo calculations of the elastic properties in zinc-blende III-P compounds under pressure effects2009/04/01English133
Development of bond-order potentials that can reproduce the elastic constants and melting point of silicon for classical molecular dynamics simulation2007/04/01English133
The effect of nanotube radius on the constitutive model for carbon nanotubes2003/11/01English132
Electronic structure optimization in plane-wave-based density functional calculations by direct inversion in the iterative subspace1994/03/01English132
Equivalent mechanical properties of auxetic lattices from discrete homogenization2012/01/01English132
A comparative study on constitutive relationship of as-cast 904L austenitic stainless steel during hot deformation based on Arrhenius-type and artificial neural network models2013/02/01English132
A unified framework for stochastic predictions of mechanical properties of polymeric nanocomposites2015/01/01English131
QSPR analysis for intrinsic viscosity of polymer solutions by means of GA-MLR and RBFNN2007/07/01English131
Parametric analysis and multiobjective optimization for functionally graded foam-filled thin-wall tube under lateral impact2014/07/01English131
Nonlocal effects in the forced vibration of an elastically connected double-carbon nanotube system under a moving nanoparticle2011/05/01English130
Transient heat conduction analysis in functionally graded materials by the meshless local boundary integral equation method2003/11/01English129
Gas adsorption on silicene: A theoretical study2014/05/01English128
Experimental study and numerical modelling of VHB 4910 polymer2012/06/01English127
The effects of oxygen vacancies on ferroelectric phase transition of HfO2-based thin film from first-principle2019/09/01English127
Simulation of polycrystalline structure with Voronoi diagram in Laguerre geometry based on random closed packing of spheres2004/03/01English127
A computational framework for automation of point defect calculations2017/04/01English127
Electronic structure, elasticity and hardness of diborides of zirconium and hafnium: First principles calculations2008/12/01English126
Simulation of temperature distribution in single metallic powder layer for laser micro-sintering2012/02/01English125
A derivation of the Ising model for the computation of phase diagrams1993/03/01English125
A force-based coupling scheme for peridynamics and classical elasticity2013/01/01English124
Classification and reconstruction of three-dimensional microstructures using support vector machines2005/02/01English124
Elastic and thermodynamic properties of new (Zr3−Ti )AlC2 MAX-phase solid solutions2017/09/01English123
Modeling of grain refinement in aluminum and copper subjected to cutting2011/08/01English123