Computational Materials Science

Title Publication Date Language Citations
A novel model for vibrations of nanotubes conveying nanoflow2012/01/01English109
Model for calculating the refractive index of a III–V semiconductor2008/02/01English108
Large scale molecular dynamics study of nanometric machining of copper2007/12/01English108
Orientation dependent deformation behaviour of BCC iron nanowires2016/01/01English108
A molecular mechanics approach for the vibration of single-walled carbon nanotubes2010/06/01English108
Evaluation of the effective mechanical properties of single walled carbon nanotubes using a spring based finite element approach2008/02/01English107
First principles study on the structural properties and electronic structure of X2B (X=Cr, Mn, Fe, Co, Ni, Mo and W) compounds2009/02/01English107
Mitigating grain growth in binary nanocrystalline alloys through solute selection based on thermodynamic stability maps2014/03/01English107
Carbon nanotubes as reinforcement in composites: A review of the analytical, numerical and experimental approaches2017/08/01English106
Nanoindentation and nanoscratching of iron: Atomistic simulation of dislocation generation and reactions2014/07/01English106
Prediction of impact damage on sandwich composite panels2005/03/01English106
Physical, mathematical, and numerical derivations of the Cahn–Hilliard equation2014/01/01English105
Virtual testing of sandwich core structures using dynamic finite element simulations2009/04/01English105
Analysis of 3D random chopped fiber reinforced composites using FEM and random sequential adsorption2008/09/01English105
Nanometric cutting of copper: A molecular dynamics study2006/10/01English105
First-principle investigation of pressure and temperature influence on structural, mechanical and thermodynamic properties of Ti3AC2 (A = Al and Si)2018/11/01English104
Computations of particle surface characteristics using optical and X-ray CT images2005/12/01English104
Molecular dynamics study on the nano-void growth in face-centered cubic single crystal copper2009/09/01English104
Study of static recrystallization kinetics in a low alloy steel2008/12/01English104
Micromechanical modeling of damage and fracture of unidirectional fiber reinforced composites: A review2009/02/01English104
Mechanical properties and thermal conductivity of graphitic carbon nitride: A molecular dynamics study2015/03/01English104
Finite element simulation and experimental investigation of residual stresses in selective laser melted Ti–Ni shape memory alloy2016/05/01English104
Modelling of flow stress characterizing dynamic recrystallization for magnesium alloy AZ31B2008/01/01English104
Dynamical behaviors of double-walled carbon nanotubes conveying fluid accounting for the role of small length scale2009/04/01English103
Structural stabilities, electronic structures and lithium deintercalation in LixMSiO4 (M=Mn, Fe, Co, Ni): A GGA and GGA+U study2009/02/01English103
FEM analysis of the temperature and stress distribution in spark plasma sintering: Modelling and experimental validation2010/08/01English103
Graphene reinforced nanocomposites: 3D simulation of damage and fracture2014/12/01English103
First-principles study of stacking fault energies in Mg-based binary alloys2013/11/01English103
A steel property optimization model based on the XGBoost algorithm and improved PSO2020/03/01English103
Prediction of properties of waste AAC aggregate concrete using artificial neural network2007/11/01English103