Publications By Topic : Molecular Dynamics Simulations

• Cowen, B. J., El-Genk, M. S., "Irradiation effect predictions in MgO using molecular dynamics simulations of incident single and multiple Au ions". J. Material Sciences and Engineering, 10(7), 1-10, 2021.
• Talaat, K., M.S. El-Genk, B.J. Cowen, "Extrapolation of Thermal Conductivity in Non-Equilibrium Molecular Dynamics Simulations to Bulk Scale". Int. Communications in Heat and Mass Transfer, 118, 104880, 2020.
• Cowen, B.J., M.S. El-Genk, K. Hattar, and S.A. Briggs, "Investigations of Irradiation Effects in Crystalline and Amorphous SiC". Journal of Applied Physics, 126(13), 135902, 2019.
• Cowen, B. J., El-Genk, M. S., Hattar, K., Briggs, S., "A Study of Irradiation Effects in TiO2 using MD simulation and in situ Transmission Electron Microscopy". Journal of Applied Physics, 124, 095901, 2018. [See Technical Report ISNPS-UNM-1-2018  for more information]
• Cowen, B. J., El-Genk, M. S., "Characterization of Radiation Damage in TiO2 using Molecular Dynamics Simulations". Journal of Modeling and Simulation in Material Science and Engineering, 26, 085005, 2018. [See Technical Report ISNPS-UNM-1-2018  for more information]
• Cowen, B. J. and M. S. El-Genk, "Point defects production and energy thresholds for displacements in crystalline and amorphous SiC". Computational Materials Science, 151, 73-83, 2018. [See Technical Report ISNPS-UNM-1-2018  for more information]
• El-Genk, M. S., Talaat, K., Cowen, B. J., "Thermal conductivity of silicon using reverse non-equilibrium molecular dynamics". Journal of Applied Physics, 123, 205104, 2018.
• Cowen, B. J. and M. S. El-Genk, "Directional dependence of the threshold displacement energies in metal oxides". J. Modeling and Simulation in Materials Science and Engineering, 25(8), 085009, 2017.
• Cowen, B. J. and M. S. El-Genk, "Estimates of Point Defect Production in?a-Quartz using Molecular Dynamics Simulations". J. Modeling and Simulation in Materials Science and Engineering, 25(5), 055001 (20pp), 2017.
• Cowen, B. J. and M. S. El-Genk, "Bond-Order Reactive Force Fields for Molecular Dynamics Simulation of Crystalline Silica". J. Computational Materials Science, 111, 269-276, 2016.
• Cowen, B. J. and M. S. El-Genk, "Probability-Based Threshold Displacement Energies for Oxygen and Silicon Atoms in ?-Quartz Silica". J. Computational Materials Science, 117, 164-171, 2016.
• Al-Haik, M., T. T. Pham, A. A. Skandani, J. Bond, M. S. El-Genk, "Effect of the Chirality on the Radiation Induced Damage of Carbon Nanotubes/Polyethylene Composites: A Molecular Dynamics Approach". J. Computational and Theoretical Nanoscience, 12(2), 20-279, 2015.
• Cowen, B. J. and M. S. El-Genk, "Molecular Dynamics Simulations of Radiation Induced Defects in Crystalline Silica". LAMMPS Users' Workshop and Symposium, 2015.
• Cowen, B. J. and M. S. El-Genk, "On Force Fields for Molecular Dynamics Simulations of Crystalline Silica". J. Computational Materials Science, 107, 88-101, 2015.