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机译:
N Dakota State Univ, Dept Civil Engn, Fargo, ND 58105 USA;
polymer-clay nanocomposites; molecular dynamics simulation; crystallinity; molecular modeling; non-bonded interaction; MONTE-CARLO SIMULATION; POLYCAPROLACTAM NANOCOMPOSITES; MELT INTERCALATION; ORGANIC MODIFIERS; THERMAL-STABILITY; INTERLAYER; MINERALS; BEHAVIOR; PYROPHYLLITE; COMPOSITES;
机译:Elucidating the Role of Interfacial Hydrogen Bonds on Glass Transition Temperature Change in a Poly(Vinyl Alcohol)/SiO_2 Polymer-Nanocomposite by Noncovalent Interaction Characterization and Atomistic Molecular Dynamics Simulations
机译:Exploring interfacial interactions, dielectric, ferroelectric and piezoelectric properties of ultrahigh molecular weight polyethylene/graphene oxide nanocomposites
机译:Characterization of Interfacial Properties of Graphene-Reinforced Polymer Nanocomposites by Molecular Dynamics-Shear Deformation Model
机译:ab initio molecular dynamics studies on the thermal properties of small silver clusters and the thermal decomposition channels of 5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one.