Nanoconfined polymers: modelling and simulation approaches

Molecular Dynamics Simulation of a Polyamide-66/Carbon Nanotube Nanocomposite

(2014) Hossein Eslami et al.   Journal of Physical Chemistry C

How Thick is the Interphase in an Ultrathin Polymer Film? Coarse-Grained Molecular Dynamics Simulations of Polyamide-6,6 on Graphene

(2013) Hossein Eslami et al.   Journal of Physical Chemistry C

Molecular Dynamics Simulation of a Silica Nanoparticle in Oligomeric Poly(methyl methacrylate): A Model System for Studying the Interphase Thickness in a Polymer–Nanocomposite via Different Properties

(2013) Hossein Eslami et al.   MACROMOLECULES

Enhancement of Thermal Energy Transport Across Graphene/Graphite and Polymer Interfaces: A Molecular Dynamics Study

(2012) Tengfei Luo et al.   ADVANCED FUNCTIONAL MATERIALS

Local chemical potential and pressure tensor in inhomogeneous nanoconfined fluids

(2012) Hossein Eslami et al.   JOURNAL OF CHEMICAL PHYSICS

Anisotropic heat transport in nanoconfined polyamide-6,6 oligomers: Atomistic reverse nonequilibrium molecular dynamics simulation

(2012) Hossein Eslami et al.   JOURNAL OF CHEMICAL PHYSICS

Reverse nonequilibrium molecular dynamics simulation of thermal conductivity in nanoconfined polyamide-6,6

(2011) Hossein Eslami et al.   JOURNAL OF CHEMICAL PHYSICS

Thermal conductivity of carbon nanotube—polyamide-6,6 nanocomposites: Reverse non-equilibrium molecular dynamics simulations

(2011) Mohammad Alaghemandi et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular Dynamics Simulation of Water Influence on Local Structure of Nanoconfined Polyamide-6,6

(2011) Hossein Eslami et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Gold Nanoparticle/Polymer Interfaces: All Atom Structures from Molecular Dynamics Simulations

(2011) G. Milano et al.   Journal of Physical Chemistry C

Coarse-Grained Computer Simulation of Nanoconfined Polyamide-6,6

(2011) Hossein Eslami et al.   MACROMOLECULES

Interphase Structure in Silica–Polystyrene Nanocomposites: A Coarse-Grained Molecular Dynamics Study

(2011) Azadeh Ghanbari et al.   MACROMOLECULES

Interface and Interphase Dynamics of Polystyrene Chains near Grafted and Ungrafted Silica Nanoparticles

(2011) Tinashe V. M. Ndoro et al.   MACROMOLECULES

Interface of Grafted and Ungrafted Silica Nanoparticles with a Polystyrene Matrix: Atomistic Molecular Dynamics Simulations

(2011) Tinashe V. M. Ndoro et al.   MACROMOLECULES

Pressure enhancement in carbon nanopores: a major confinement effect

(2011) Yun Long et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Clay swelling — A challenge in the oilfield

(2009) R.L. Anderson et al.   EARTH-SCIENCE REVIEWS

Coarse-Grained Computer Simulations of Polymer/Fullerene Bulk Heterojunctions for Organic Photovoltaic Applications

(2009) David M. Huang et al.   Journal of Chemical Theory and Computation

Structure and Mobility of Nanoconfined Polyamide-6,6 Oligomers: Application of a Molecular Dynamics Technique with Constant Temperature, Surface Area, and Parallel Pressure

(2009) Hossein Eslami et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Viscosity of Nanoconfined Polyamide-6,6 Oligomers: Atomistic Reverse Nonequilibrium Molecular Dynamics Simulation

(2009) Hossein Eslami et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Effect of thermal pole tip protrusion and disk roughness on slider disk contacts

(2009) Jianfeng Xu et al.   MICROSYSTEM TECHNOLOGIES-MICRO-AND NANOSYSTEMS-INFORMATION STORAGE AND PROCESSING SYSTEMS

The effects of carbon nanotubes on mechanical and thermal properties of woven glass fibre reinforced polyamide-6 nanocomposites

(2008) Z SHEN et al.   COMPOSITES SCIENCE AND TECHNOLOGY

Transferability of coarse-grained force fields: The polymer case

(2008) Paola Carbone et al.   JOURNAL OF CHEMICAL PHYSICS

Flow, slippage and a hydrodynamic boundary condition of polymers at surfaces

(2008) M Müller et al.   JOURNAL OF PHYSICS-CONDENSED MATTER