ISNPS Publications: Molecular Dynamics Simulations

  1. 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, http://www.ingentaconnect.com/content/asp/jctn/2015/00000012/00000002/art00018.
  2. 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, http://www.sciencedirect.com/science/article/pii/S0927025615003316.
  3. Cowen, B. J. and M. S. El-Genk, Molecular Dynamics Simulations of Radiation Induced Defects in Crystalline Silica. LAMMPS Users’ Workshop and Symposium, , , 2015, .
  4. 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, http://www.sciencedirect.com/science/article/pii/S0927025615006230.
  5. 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, http://www.sciencedirect.com/science/article/pii/S0927025615008174.
  6. 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, http://iopscience.iop.org/article/10.1088/1361-651X/aa6f4f/meta.
  7. 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, http://iopscience.iop.org/article/10.1088/1361-651X/aa9193/meta.
  8. 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, https://aip.scitation.org/doi/abs/10.1063/1.5030871.
  9. 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, https://www.sciencedirect.com/science/article/pii/S0927025618303045.
  10. 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, https://aip.scitation.org/doi/abs/10.1063/1.5045491.
  11. 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, https://iopscience.iop.org/article/10.1088/1361-651X/aae21b/meta.
  12. 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, https://aip.scitation.org/doi/full/10.1063/1.5085216.
  13. 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, .
  14. 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, .
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