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Results 1 to 25 of 19050

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A novel multiscale method for the prediction of the volumetric and gas solubility behavior of high-Tg polyimidesMINELLI, Matteo; DE ANGELIS, Maria Grazia; HOFMANN, Dieter et al.Fluid phase equilibria. 2012, Vol 333, pp 87-96, issn 0378-3812, 10 p.Article

Impact and spreading behavior of cluster atoms bombarding substratesFANG, Te-Hua; KANG, Shao-Hui; LIAO, Jia-Hung et al.Applied surface science. 2010, Vol 256, Num 5, pp 1395-1398, issn 0169-4332, 4 p.Article

Channel diffusion in a lithium-potassium metasilicate glass using the isoconfigurational ensemble: Towards a scenario for the mixed alkali effectBALBUENA, C; FRECHERO, M. A; MONTANI, R. A et al.Journal of non-crystalline solids. 2014, Vol 405, pp 124-128, issn 0022-3093, 5 p.Article

A combined Event-Driven/Time-Driven molecular dynamics algorithm for the simulation of shock waves in rarefied gasesVALENTINI, Paolo; SCHWARTZENTRUBER, Thomas E.Journal of computational physics (Print). 2009, Vol 228, Num 23, pp 8766-8778, issn 0021-9991, 13 p.Article

Self-folding and unfolding of carbon nanotubes : Nanomaterials and nanomechanicsBUEHLER, Markus J; YONG KONG; HUAJIAN GAO et al.Journal of engineering materials and technology. 2006, Vol 128, Num 1, pp 3-10, issn 0094-4289, 8 p.Article

A new algorithm of Boundary-Driven type Non-Equilibrium molecular dynamics for simulating membrane permeation of gas mixturesFURUKAWA, Shin-Ichi; NITTA, Tomoshige.Journal of chemical engineering of Japan. 2005, Vol 38, Num 4, pp 278-282, issn 0021-9592, 5 p.Article

Biomolecules as soft matter surfacesBITTNER, Alexander M; HEBER, Frederik; HAMAEKERS, Jan et al.Surface science. 2009, Vol 603, Num 10-12, pp 1922-1925, issn 0039-6028, 4 p.Article

Classical molecular dynamics: whither?RAPAPORT, D. C.Computer physics communications. 2002, Vol 146, Num 1, issn 0010-4655, p. 134Conference Paper

Interactions between clay portions with various contacts and subjected to specific environmental conditionsZHENG, Y; ZAOUI, A; PASTEAU, A et al.Applied surface science. 2014, Vol 292, pp 311-318, issn 0169-4332, 8 p.Article

Molecular dynamics simulation of CH3 interaction with Si(100) surfaceGOU, F; GLEESON, M. A; KLEYN, A. W et al.Surface science. 2007, Vol 601, Num 18, pp 3965-3969, issn 0039-6028, 5 p.Conference Paper

Atomic assembly of metal surfaces and interfacesQUAN, J. J; ZHOU, X. W; WADLEY, H. N. G et al.Surface science. 2006, Vol 600, Num 19, pp 4537-4547, issn 0039-6028, 11 p.Article

Alteration of graphene based slit pores and the effect on hydrogen molecular adsorption: A simulation studyGEORGAKIS, M; STAVROPOULOS, G; SAKELLAROPOULOS, G. P et al.Microporous and mesoporous materials. 2014, Vol 191, pp 67-73, issn 1387-1811, 7 p.Article

New chiral discotics with helical organization of the mesophase—liquid crystalline derivatives of dibenzotetraaza[14]annuleneGROLIK, Jarosław; DUDEK, Lukasz; EILMES, Julita et al.Tetrahedron (Oxford. Print). 2012, Vol 68, Num 20, issn 0040-4020, 3792, 3875-3884 [11 p.]Article

Molecular Dynamics of the Cryomilled Base and Hydrochloride Ziprasidones by Means of Dielectric SpectroscopyKAMINSKI, K; ADRJANOWICZ, K; WOJNAROWSKA, Z et al.Journal of pharmaceutical sciences. 2011, Vol 100, Num 7, pp 2642-2657, issn 0022-3549, 16 p.Article

Partition coefficients of organic molecules in squalane and water/ethanol mixtures by molecular dynamics simulationsLUNDSGAARD, Rasmus; KONTOGEORGIS, Georgios M; ECONOMOU, Ioannis G et al.Fluid phase equilibria. 2011, Vol 306, Num 2, pp 162-170, issn 0378-3812, 9 p.Article

Molecular Dynamics Simulation of surface vaporization in beryllium Plasma Facing ComponentsAQUARO, D; DI PRINZIO, M.Fusion engineering and design. 2007, Vol 82, Num 15-24, pp 1681-1687, issn 0920-3796, 7 p.Conference Paper

Molecular Dynamics virtual testing of thermally aged Fe-Cu microstructures obtained from multiscale simulationsMOLNAR, David; BINKELE, Peter; MORA, Alejandro et al.Computational materials science. 2014, Vol 81, pp 466-470, issn 0927-0256, 5 p.Article

Dynamical characterization of active regions environments for ion dynamics in Lithium metasilicate glassesBALBUENA, C; FRECHERO, M. A; MONTANI, R. A et al.Journal of non-crystalline solids. 2013, Vol 369, pp 17-22, issn 0022-3093, 6 p.Article

Directed evolution of a thermophilic endoglucanase (Ce15A) into highly active Cel5A variants with an expanded temperature profileCHAONING LIANG; FIORONI, Marco; RODRIGUEZ-ROPERO, Francisco et al.Journal of biotechnology. 2011, Vol 154, Num 1, pp 46-53, issn 0168-1656, 8 p.Article

DIFFUSION OF Na AND Cs IN MONTMORILLONITEKOSAKOWSKI, Georg; CHURAKOV, Sergey V; THOENEN, Tres et al.Clays and clay minerals. 2008, Vol 56, Num 2, pp 190-206, issn 0009-8604, 17 p.Article

Modeling the response of pyrophyllite interlayer to applied stress using steered molecular dynamicsKATTI, Dinesh R; SCHMIDT, Steven R; GHOSH, Pijush et al.Clays and clay minerals. 2005, Vol 53, Num 2, pp 171-178, issn 0009-8604, 8 p.Article

Anisotropic adsorption of oleate on diaspore and kaolinite crystals: Implications for their flotation separationLONGHUA XU; YUEHUA HU; FAQIN DONG et al.Applied surface science. 2014, Vol 321, pp 331-338, issn 0169-4332, 8 p.Article

Numerical investigation on thermal properties at Cu-Al interface in micro/nano manufacturingLIQIANG ZHANG; PING YANG; MIN CHEN et al.Applied surface science. 2012, Vol 258, Num 8, pp 3975-3979, issn 0169-4332, 5 p.Article

Effects of mold geometry and taper angles on the filling mechanism of a nanoimprinted polymer using molecular dynamicsWU, Cheng-Da; FANG, Te-Hua; LIN, Jen-Fin et al.Applied surface science. 2014, Vol 316, pp 292-300, issn 0169-4332, 9 p.Article

High and anisotropic thermal conductivity of body-centered tetragonal C4 calculated using molecular dynamicsZHENQIANG YE; BINGYANG CAO; ZENGYUAN GUO et al.Carbon (New York, NY). 2014, Vol 66, pp 567-575, issn 0008-6223, 9 p.Article

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