Determination of momentum accommodation coefficients and velocity distribution function for Noble gas-polymeric surface interactions using molecular dynamics simulation

Lord, 1991, Some extensions to the Cercignani-Lampis gas-surface scattering kernel, Physics of Fluids A: Fluid Dynamics, 3, 706, 10.1063/1.858076 Lord, 1995, Some further extensions of the Cercignani-Lampis gas-surface interaction model, Physics of Fluids A: Fluid Dynamics, 7, 1159, 10.1063/1.868557 Cercignani, 1971, Kinetic models for gas-surface interactions, Transport Theory and Statistical physics, 1, 101, 10.1080/00411457108231440 Agrawal, 2008, Survey on measurement of tangential momentum accommodation coefficient, Vacuum and Technology, 26, 634, 10.1116/1.2943641 Sazhin, 2001, Accommodation coefficient of tangential momentum on atomically clean and contaminated surfaces, J. Vac. Sci. Technol. A, 9, 2498 Knechtel, 1972, Normal and tangential momentum accommodation for Earth satellite conditions, Astronautical Congress of the IAF, 18, 171 Arkilic, 2000, Mass flow and tangential momentum accommodation in silicon micromachined channels, Journal of Fluid Mechanic, 437, 29, 10.1017/S0022112001004128 Ewart, 2007, Tangential momemtum accommodation in microtube, Microfluid and Nanofluid, 3, 689, 10.1007/s10404-007-0158-3 Cao, 2009, Molecular momentum transport at fluid-solid interfaces in MEMS/NEMS: a review, Int. J. Mol. Sci., 4638, 10.3390/ijms10114638 Reinhold, 2014, Molecular dynamics simulations on scattering of single Ar, N2, and CO2 molecules on realistic surfaces, Comput. Fluids, 97, 31, 10.1016/j.compfluid.2014.03.024 Cao, 2005, Temperature dependence of the tangential momentum accommodation coefficient for gases, Appl. Phys. Lett., 86, 10.1063/1.1871363 Barisik, 2012, Surface–gas interaction effects on nanoscale gas flows, Microfluid. Nanofluid., 13, 789, 10.1007/s10404-012-1000-0 Walker, 2014, Drag coefficient model using the Cercignani–Lampis–Lord gas–surface interaction model, J. Spacecr. Rocket., 51, 1544, 10.2514/1.A32677 Prabha, 2012, Determination of accommodation coefficients of a gas mixture in a nanochannel with molecular dynamics, Microfluid. Nanofluid., 13, 883, 10.1007/s10404-012-1020-9 Wu, 2006, Atomistic molecular modelling of crosslinked epoxy resin, Polymer, 47, 6004, 10.1016/j.polymer.2006.06.025 Wu, 2007, Atomistic molecular simulations of structure and dynamics of crosslinked epoxy resin, Polymer, 48, 5802, 10.1016/j.polymer.2007.07.019 Tack, 2008, Thermodynamic and mechanical properties of epoxy resin DGEBA crosslinked with DETDA by molecular dynamic, Journal of Molecular Graphics & Modeling, 26, 1269, 10.1016/j.jmgm.2007.12.001 C. Jiang, J. Zhang, S. Lin, D. Jiang, Molecular Dynamic Simulation Study on Glass Transition Temperature of DGEBA-THPA/SWCNTs Composites, Materials Science and Chemical Engineering, 2 (2014 (26–30. Shenogina, 2013, Molecular modeling of elastic properties of thermosetting polymers using a dynamic deformation approach, Polymer, 54, 3370, 10.1016/j.polymer.2013.04.034 Shenogina, 2012, Molecular modeling approach to prediction of thermo-mechanical behavior of thermoset polymer networks, Macromolecules, 45, 5307, 10.1021/ma3007587 Fasanella, 2015, Molecular dynamics of SWNT/epoxy nanocomposites, Structural Dynamics, and Materials Conference, 0124 Dikshit, 2018, Investigation of mechanical properties of cnt reinforced epoxy nanocomposite: a molecular dynamic simulations, Mater. Phys. Mech., 37, 7 Nouri, 2011, A molecular dynamics investigation on mechanical properties of cross-linked polymer networks, Macromolecules, 44, 5481, 10.1021/ma2005519 Bird, 2013 Maxwell, 1878, On stresses in rarefied gases arising from inequalities of temperature (abstract) Phil, Mag, 27, 304 Gorji, 2014, A gas-surface interaction kernel for diatomic rarefied gas flows based on the Cercignani-Lampis-Lord model, Phys. Fluids, 26, 122004, 10.1063/1.4903004 Sun, 2008, Effect of gas adsorption on momentum accommodation coefficients in microgas flows using molecular dynamic simulations, Mol. Phys., 106, 2325, 10.1080/00268970802452020 Sun, 2011, Three-dimensional molecular dynamic study on accommodation coefficients in rough nanochannels, Heat Transfer Engineering, 32, 658, 10.1080/01457632.2010.509759 Bird, 1994, Molecular gas dynamics and the direct simulation of gas flows, Oxford, 5, 440 Barisik, 2011, Molecular dynamics simulations of shear-driven gas flows in nano-channels, Microfluid and Nanofluid, 11, 611, 10.1007/s10404-011-0827-0 Hirschfelder, 1964, Molecular theory of gases and liquids, N. Y., 120, 10 Blanchard, 2007, Slip and accommodation coefficients from rarefaction and roughness in rotating microscale disk flows, Phys. Fluids, 19, 10.1063/1.2739416 Smoluchowski, 1898, Ueber wärmeleitung in verdünnten gasen, Ann. Phys., 300, 101, 10.1002/andp.18983000110 Shen, 2006 Yamamoto, 2006, Characteristics of reflected gas molecules at a solid surface, Phys. Fluids, 18, 10.1063/1.2191871 Bentley, 2012, New method of calculating adsorption and scattering for Xe-Pt(111) using direct simulation Monte Carlo techniques, Vacuum Science & Technology A, 30 Rabearison, 2011, A cure kinetics, diffusion controlled and temperature dependent, identification of the araldite LY556 epoxy, J. Mater. Sci., 46, 787, 10.1007/s10853-010-4815-7 Ratna, 2001, Mechanical characterization and morphology of carboxyl randomized poly (2-ethyl hexyl acrylate) liquid rubber toughened epoxy resins, Polymer, 42, 7739, 10.1016/S0032-3861(01)00278-6 Huntsman, http://www.huntsman.com, Data sheet:Araldite LY556/Aradur 917/Accelerator DY 070 (2007). Plimpton, 1995, Fast parallel algorithms for short-rang molecular dynamic, J. Comput. Phys., 117, 1, 10.1006/jcph.1995.1039 Sun, 1998, COMPASS: an ab initio ForceField optimized for condensed phase applications overview with details on alkane and benzene compounds, J. Phys. Chem. B, 102, 7338, 10.1021/jp980939v Sun, 1998, The COMPASS force field: parameterization and validation for phosphazenes, Comput. Theor. Polym. Sci., 8, 229, 10.1016/S1089-3156(98)00042-7 Bunte, 2000, Molecular modeling of energetic materials: the parameterization and validation of nitrate esters in the COMPASS force field, J. Phys. Chem. B, 104, 2477, 10.1021/jp991786u Barbero, 2017 Benedict, 1957, Nuclear chemical engineering, McGraw-Hill series in Nuclear Engineering, 852 M.W Aldman, A.T. Hagler, New combining rules for rare gas Van der Waals parameters, Journal of computational chemistry, 14 (1993) 1077–1084. Seidl, 1974 Graur, 2009, Measurements of tangential momentum accommodation coefficient for various gases in plane microchannel, Phys. Fluids, 21, 102004, 10.1063/1.3253696 Yamaguchi, 2011, Experimental measurement on tangential momentum accommodation coefficient in a single microtube, Microfluid and Nanofluid, 11, 57, 10.1007/s10404-011-0773-x