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Molecular dynamics simulations of the contact angle between water droplets and graphite surfacesSERGI, Danilo; SCOCCHI, Giulio; ORTONA, Alberto et al.Fluid phase equilibria. 2012, Vol 332, pp 173-177, issn 0378-3812, 5 p.Article

C2H2M (M = Ti, Li) complex: A possible hydrogen storage materialKALAMSE, Vijayanand; WADNERKAR, Nitin; DESHMUKH, Amol et al.International journal of hydrogen energy. 2012, Vol 37, Num 4, pp 3727-3732, issn 0360-3199, 6 p.Conference Paper

Molecular dynamics simulations of AOT at isooctane/water interfaceCHEN, Yi-Jian; XU, Gui-Ying; YUAN, Shi-Ling et al.Colloids and surfaces. A, Physicochemical and engineering aspects. 2006, Vol 273, Num 1-3, pp 174-178, issn 0927-7757, 5 p.Article

Nanostructure and surface effects on yield in Cu nanowiresWU, Z. X; ZHANG, Y. W; JHON, M. H et al.Acta materialia. 2013, Vol 61, Num 6, pp 1831-1842, issn 1359-6454, 12 p.Article

Sticking of atomic hydrogen on the tungsten (001) surfaceHENRIKSSON, K. O. E; VÖRTLER, K; DREISSIGACKER, S et al.Surface science. 2006, Vol 600, Num 16, pp 3167-3174, issn 0039-6028, 8 p.Article

The classical molecular dynamics simulation of graphene on Ru(0001) using a fitted Tersoff interface potentialSÜLE, P; SZENDRO, M.Surface and interface analysis. 2014, Vol 46, Num 1, pp 42-47, issn 0142-2421, 6 p.Article

Secondary Johari―Goldstein relaxation in linear polymer melts represented by a simple bead-necklace modelBEDROV, Dmitry; SMITH, Grant D.Journal of non-crystalline solids. 2011, Vol 357, Num 2, pp 258-263, issn 0022-3093, 6 p.Conference Paper

Grain boundary finite length facetingWU, Z. X; ZHANG, Y. W; SROLOVITZ, D. J et al.Acta materialia. 2009, Vol 57, Num 14, pp 4278-4287, issn 1359-6454, 10 p.Article

Void growth in metals : Atomistic calculationsTRAIVIRATANA, Sirirat; BRINGA, Eduardo M; BENSON, David J et al.Acta materialia. 2008, Vol 56, Num 15, pp 3874-3886, issn 1359-6454, 13 p.Article

Adhesion effects in material transfer in mechanical contactsSONG, J; SROLOVITZ, D. J.Acta materialia. 2006, Vol 54, Num 19, pp 5305-5312, issn 1359-6454, 8 p.Article

Role of oxygen on the interfacial adsorption sites of Lu and La in β-Si3N4YUN JIANG; YING MA; GAROFALINI, Stephen H et al.Acta materialia. 2014, Vol 66, pp 284-292, issn 1359-6454, 9 p.Article

Roughness scaling in titanium thin films: A three-dimensional molecular dynamics study of rotational and static glancing angle depositionBACKHOLM, Matilda; FOSS, Morten; NORDLUND, Kai et al.Applied surface science. 2013, Vol 268, pp 270-273, issn 0169-4332, 4 p.Article

Li+ transport mechanism in oligo(ethylene oxide)s compared to carbonatesBORODIN, Oleg; SMITH, G. D.Journal of solution chemistry. 2007, Vol 36, Num 6, pp 803-813, issn 0095-9782, 11 p.Article

The formation of stacking fault tetrahedra in Al and Cu III. Growth by expanding ledgesWANG, H; XU, D. S; YANG, R et al.Acta materialia. 2011, Vol 59, Num 1, pp 19-29, issn 1359-6454, 11 p.Article

Molecular dynamics simulations of void growth and coalescence in single crystal magnesiumTIAN TANG; KIM, Sungho; HORSTEMEYER, M. F et al.Acta materialia. 2010, Vol 58, Num 14, pp 4742-4759, issn 1359-6454, 18 p.Article

Effect of a carboxylic group on the conformational properties of some gemini surfactantsMISIAK, Pawel; ROZYCKA-ROSZAK, Bozenna; MOZRZYMAS, Anna et al.Journal of solution chemistry. 2007, Vol 36, Num 7, pp 845-851, issn 0095-9782, 7 p.Article

Laser ablation with short and ultrashort laser pulses : Basic mechanisms from molecular-dynamics simulationsLEWIS, Laurent J; PEREZ, Danny.Applied surface science. 2009, Vol 255, Num 10, pp 5101-5106, issn 0169-4332, 6 p.Conference Paper

Nanoepitaxy on quasicrystal surfacesERBUDAK, M; MUNGAN, M; BURKARDT, S et al.Applied surface science. 2010, Vol 256, Num 5, pp 1284-1288, issn 0169-4332, 5 p.Conference Paper

The transformation of edge dislocation dipoles in aluminiumWANG, H; XU, D. S; YANG, R et al.Acta materialia. 2008, Vol 56, Num 17, pp 4608-4620, issn 1359-6454, 13 p.Article

Mechanical and energetical analysis of molecular dynamics simulations of dislocation-defect interactionsMONNET, Ghiath.Acta materialia. 2007, Vol 55, Num 15, pp 5081-5088, issn 1359-6454, 8 p.Article

Molecular dynamics simulations of helical antimicrobial peptides in SDS micelles : What do point mutations achieve?KHANDELIA, Himanshu; KAZNESSIS, Yiannis N.Peptides (New York, NY. 1980). 2005, Vol 26, Num 11, pp 2037-2049, issn 0196-9781, 13 p.Article

Diffuse scattering as an indicator for martensitic variant selectionLEI GAO; XIANGDONG DING; HONGXIANG ZONG et al.Acta materialia. 2014, Vol 66, pp 69-78, issn 1359-6454, 10 p.Article

Size effect on mechanical properties of carbon nanotube X-junctionsLIU, W. C; KUANG, Y. D; MENG, F. Y et al.Computational materials science. 2011, Vol 50, Num 10, pp 3067-3070, issn 0927-0256, 4 p.Article

Nucleation of Ni-Fe alloy near the spinodalLÜ, Y. J; CHEN, M; YANG, H et al.Acta materialia. 2008, Vol 56, Num 15, pp 4022-4027, issn 1359-6454, 6 p.Article

Dynamics of large Ar cluster bombardment of organic solidsPOSTAWA, Z; PARUCH, R; RZEZNIK, L et al.Surface and interface analysis. 2013, Vol 45, Num 1, pp 35-38, issn 0142-2421, 4 p.Conference Paper

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