| 1 |
Free volume and internal structural evolution during creep in model amorphous polyethylene by Molecular Dynamics simulations
Bowman AL, Mun S, Nouranian S, Huddleston BD, Gwaltney SR, Baskes MI, Horstemeyer MF
Polymer, 170, 85, 2019 |
| 2 |
Dispersion-Corrected Modified Embedded-Atom Method Bond Order Interatomic Potential for Sulfur
Dickel D, Gwaltney SR, Mun S, Baskes MI, Horstemeyer MF
Journal of Physical Chemistry A, 122(49), 9572, 2018 |
| 3 |
Effect of graphene dispersion on the equilibrium structure and deformation of graphene/eicosane composites as surrogates for graphene/polyethylene composites: a molecular dynamics simulation
Chen SH, Lv Q, Wang ZK, Li CL, Pittman CU, Gwaltney SR, Sun SQ, Hu SQ
Journal of Materials Science, 52(10), 5672, 2017 |
| 4 |
Interatomic Potential for Hydrocarbons on the Basis of the Modified Embedded-Atom Method with Bond Order (MEAM-BO)
Mun S, Bowman AL, Nouranian S, Gwaltney SR, Baskes MI, Horstemeyert MF
Journal of Physical Chemistry A, 121(7), 1502, 2017 |
| 5 |
Simulations of tensile bond rupture in single alkane molecules using reactive interatomic potentials
Nouranian S, Gwaltney SR, Baskes MI, Tschopp MA, Horstemeyer MF
Chemical Physics Letters, 635, 278, 2015 |
| 6 |
Interfacial shear strength of cured vinyl ester resin-graphite nanoplatelet from molecular dynamics simulations
Jang C, Lacy TE, Gwaltney SR, Toghiani H, Pittman CU
Polymer, 54(13), 3282, 2013 |
| 7 |
Relative Reactivity Volume Criterion for Cross-Linking: Application to Vinyl Ester Resin Molecular Dynamics Simulations
Jang CW, Lacy TE, Gwaltney SR, Toghiani H, Pittman CU
Macromolecules, 45(11), 4876, 2012 |
| 8 |
Relative Reactivity Volume Criterion for Cross-Linking: Application to Vinyl Ester Resin Molecular Dynamics Simulations (vol 45, pg 4876, 2012)
Jang C, Lacy TE, Gwaltney SR, Toghiani H, Pittman CU
Macromolecules, 45(13), 5619, 2012 |
| 9 |
Insertion of transition metal atoms and ions into the nanoscale dodecahedral silsesquioxane (T-12-POSS) cage: Structures, stabilities and electronic properties
Hossain D, Gwaltney SR, Pittman CU, Saebo S
Chemical Physics Letters, 467(4-6), 348, 2009 |
| 10 |
Structures and stabilities of copper encapsulated within silicon nano-clusters: Cu@Si-n (n=9-15)
Hossain D, Pittman CU, Gwaltney SR
Chemical Physics Letters, 451(1-3), 93, 2008 |
