Publications
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First-principles prediction of kink-pair activation enthalpy on screw dislocations in bcc transition metals: V, Nb, Ta, Mo, W, and Fe. Physical Review B. 91(9):ArticleNumber094105.
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2015. Fractal analysis of surface roughness of montmorillonite clay self-supported films: Effects of exchanged cations and of mechanical tensile stress. Colloids and Surfaces A: Physicochemical and Engineering Aspects. 486:38-44.
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2015. From cellulose to kerogen: molecular simulation of a geological process. Chemical Science. 8(12):8325-8335.
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2017. From cellulose to kerogen: molecular simulation of a geological process. Chemical Science. 8(12):8325-8335.
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2017. Hydration of calcium oxide surface predicted by reactive force field molecular dynamics. Langmuir. 28(9):4187–4197.
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2012. Investigating carbon materials nanostructure using image orientation statistics. Carbon. 84:160-173.
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2015. Investigation of mixed ionic/nonionic building blocks for the dual templating of macro-mesoporous silica. Journal of Colloid and Interface Science. 533:385-400.
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2019. Ionic liquid confined in silica nanopores: molecular dynamics in the isobaric-isothermal ensemble. Molecular Physics. 112:1350-1361.
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2014. Ionic liquid confined in silica nanopores: molecular dynamics in the isobaric-isothermal ensemble. Molecular Physics. 112:1350-1361.
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2014. Ionic liquid confined in silica nanopores: molecular dynamics in the isobaric-isothermal ensemble. Molecular Physics. 112:1350-1361.
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2014. The Maya blue nanostructured material concept applied to colouring geopolymers. RSC Adv.. 5(120):98834-98841.
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2015. Mechanical strength of wet particle agglomerates. Mechanics Research Communications. 92:1-7.
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2018. Mechanism of strength reduction along the graphenization pathway. Science Advances. 1(10):e1501009-e1501009.
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2015. Mesoscale structure, mechanics, and transport properties of source rocks’ organic pore networks. Proceedings of the National Academy of Sciences. 115(49):12365-12370.
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2018. Molecular simulation of adsorption and transport in hierarchical porous materials. Langmuir. 29(25):7864–7875.
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2013. Molecular simulations of supercritical fluid permeation through disordered microporous carbons. Langmuir. 29(32):9985–9990.
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2013. Nanoindentation investigation of creep properties of calcium silicate hydrates. Cement and Concrete Research. 52:38–52.
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2013. Nanoscale elasticity of highly anisotropic pyrocarbons. Carbon. 94:285-294.
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2015. Particle shape dependence in 2D granular media. EPL (Europhysics Letters). 98(4):ArticleNumber:44008.
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2012. Particle shape dependence in 2D granular media. EPL (Europhysics Letters). 98(4):ArticleNumber:44008.
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2012. Polarized Water Wires under Confinement in Chiral Channels. The Journal of Physical Chemistry B. 119(28):8707-8717.
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2015. Poroelastic Theory Applied to the Adsorption-Induced Deformation of Vitreous Silica. The Journal of Physical Chemistry B. 118(49):14519-14525.
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2014. Poroelasticity of Methane-Loaded Mature and Immature Kerogen from Molecular Simulations. Langmuir. 34(45):13766-13780.
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2018. Poromechanics of microporous media. Journal of the Mechanics and Physics of Solids. 60(4):606–622.
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2012. The Potential of Mean Force concept for bridging (length and time) scales in the modeling of complex porous materials. EPJ Web of Conferences. 140:ArticleNumber01009.
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