Publications
Atomic-scale modelling of elastic and failure properties of clays. Molecular Physics. 112(9-10):1294-1305.
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2014. An atomistic modeling of the xenon bubble behavior in the UO2 matrix. Journal of Nuclear Materials. 444(1-3):153–160.
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2014. Combinatorial molecular optimization of cement hydrates. Nat Commun. 5:ArticleNumber:4960.
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2014. Controlling local packing and growth in calcium-silicate-hydrate gels. Soft Matter. 10(8):1121-1133.
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2014. Docking 90 Sr radionuclide in cement: An atomistic modeling study. Physics and Chemistry of the Earth, Parts A/B/C. 70–71:39–44.
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2014. Docking Sr-90 radionuclide in cement: An atomistic modeling study. Physics and Chemistry of the Earth. 70-71:39-44.
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2014. Effect of temperature on adsorption of mixtures in porous materials. Molecular Simulation. 40(1-3 Special Issue: SI):45-51.
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2014. Elastic Properties of Swelling Clay Particles at Finite Temperature upon Hydration. Journal of Physical Chemistry C. 118(17):8933-8943.
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2014. Enhanced H-2 Uptake of n-Alkanes Confined in Mesoporous Materials. Journal of Physical Chemistry C . 118(20):10720-10727.
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2014. Erratum to “Static states of cohesive granular media”. Journal of Mechanical Science and Technology. 28(10):4345-4345.
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2014. Erratum to “Static states of cohesive granular media”. Journal of Mechanical Science and Technology. 28(10):4345-4345.
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2014. Geomechanics from Micro to MacroInteraction between two localized fluidization cavities in granular media : Experiments and numerical simulation. 3rd International Symposium on Geomechanics from Micro to Macro. Geomechanics from Micro to Macro:1571-1576.
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2014. Mesoscale properties of clay aggregates from potential of mean force representation of interactions between nanoplatelets. Journal of Chemical Physics . 140(15):ArticleNumber:154309.
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2014. Mesoscale simulation of clay aggregate formation and mechanical properties. 3rd International Symposium on Geomechanics from Micro to Macro. Geomechanics from Micro to Macro: Granular Matter(3):539-544.
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2014. Modelling cement at fundamental scales: From atoms to engineering strength and durability. Euro-C Conference. COMPUTATIONAL MODELLING OF CONCRETE STRUCTURES, VOL 1:139-148.
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2014. Nano-scale mechanics of colloidal C-S-H gels. Soft Matter. 10(3):491-499.
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2014. Nanoscale Structure of Cement: Viewpoint of Rigidity Theory. Journal of Physical Chemistry C. 118(23):12485-12493.
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2014. Order and disorder in calcium–silicate–hydrate. The Journal of Chemical Physics. 140(21):ArticleNumber:214503.
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2014. Poro-chemo-fracture-mechanics ... bottom-up: Application to risk of fracture design of oil and gas cement sheath at early ages. Euro-C Conference. COMPUTATIONAL MODELLING OF CONCRETE STRUCTURES, VOL 1 :61-67.
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2014. Poro-chemo-fracture-mechanics ... bottom-up: Application to risk of fracture design of oil and gas cement sheath at early ages. Euro-C Conference. COMPUTATIONAL MODELLING OF CONCRETE STRUCTURES, VOL 1 :61-67.
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2014. 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. A soft matter in construction – Statistical physics approach to formation and mechanics of C–S–H gels in cement. The European Physical Journal Special Topics. 223(11):2285-2295.
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2014. Surface Chemistry and Atomic-Scale Reconstruction of Kerogen-Silica Composites. The Journal of Physical Chemistry C. 118(5):2429-2438.
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2014. Ultrahigh interlayer friction in multiwalled boron nitride nanotubes. Nat Mater. 13(7):688-693.
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2014. Adsorption, intrusion and freezing in porous silica: the view from the nanoscale. Chemical Society Reviews. 42(9):4141-4171.
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2013.