Computational Materials Science

Title Publication Date Language Citations
Modeling morphology evolution during solvent-based fabrication of organic solar cells2012/04/01English85
Effect of external strain on electronic structure of stanene2015/04/01English85
A novel two-dimensional mechanical metamaterial with negative Poisson’s ratio2020/01/01English85
Competing structural and magnetic effects in small iron clusters2006/03/01English85
A characterization for the dynamic recrystallization kinetics of as-extruded 7075 aluminum alloy based on true stress–strain curves2012/04/01English85
Mechanical properties of silicene2014/02/01English85
A modified Johnson–Cook constitutive model for Mg–Gd–Y alloy extended to a wide range of temperatures2010/11/01English84
A molecular dynamics study of sintering between nanoparticles2009/04/01English84
Verification of first-principles codes: Comparison of total energies, phonon frequencies, electron–phonon coupling and zero-point motion correction to the gap between ABINIT and QE/Yambo2014/02/01English84
A molecular dynamics investigation on thermal conductivity of graphynes2012/12/01English84
Yttrium barium copper oxide superconducting transition temperature modeling through gaussian process regression2020/06/01English84
Predicting the fracture toughness of PNCs: A stochastic approach based on ANN and ANFIS2015/05/01English84
Random heterogeneous materials via texture synthesis2015/03/01English83
Parametric studies on buckling of thin walled channel beams2015/01/01English83
Bond-order potential for transition metal carbide cluster for the growth simulation of a single-walled carbon nanotube2007/06/01English83
Numerical investigation of a three point bending test on sandwich panels with aluminum skins and Nomex™ honeycomb core2012/04/01English83
Modal analysis of carbon nanotubes and nanocones using FEM2012/01/01English83
Nonlocal effects in the free longitudinal vibration of axially functionally graded tapered nanorods2012/08/01English83
Micromechanics based modeling to predict flow behavior and plastic strain localization of dual phase steels2012/10/01English82
Modelling beta transus temperature of titanium alloys using artificial neural network2005/01/01English82
Machine learning models for the lattice thermal conductivity prediction of inorganic materials2019/12/01English82
Image-based finite element mesh construction for material microstructures2008/10/01English82
Influence of transformation induced plasticity on simulated results of welding residual stress in low temperature transformation steel2013/10/01English82
Study of the influence of initial microstructure topology on the kinetics of static recrystallization using a cellular automata model2006/09/01English82
Modeling and simulation of buckling of polymeric membrane thin film gel2010/07/01English81
Modeling the dynamic recrystallization in austenitic stainless steel using cellular automaton method2014/02/01English81
First-principle prediction of half-metallic properties for the Heusler alloys V2YSb (Y=Cr, Mn, Fe, Co)2009/04/01English81
An evolutionary anisotropic model for sheet metals based on non-associated flow rule approach2014/01/01English80
Atomistic simulations in the Fe–C system2009/04/01English80
An investigation into the structure of aqueous NaCl electrolyte solutions under magnetic fields2008/10/01English80