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Patrick A. Bonnaud
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Molecular simulation of water confined in nanoporous silica
PA Bonnaud, B Coasne, RJM Pellenq
Journal of Physics: Condensed Matter 22 (28), 284110, 2010
1652010
Thermodynamics of water confined in porous calcium-silicate-hydrates
PA Bonnaud, Q Ji, B Coasne, RJM Pellenq, KJ Van Vliet
Langmuir 28 (31), 11422-11432, 2012
1482012
Hysteresis from multiscale porosity: modeling water sorption and shrinkage in cement paste
MB Pinson, E Masoero, PA Bonnaud, H Manzano, Q Ji, S Yip, JJ Thomas, ...
Physical Review Applied 3 (6), 064009, 2015
1152015
Anisotropic United Atom Model Including the Electrostatic Interactions of Methylbenzenes. II. Transport Properties
C Nieto-Draghi, P Bonnaud, P Ungerer
Journal of Physical Chemistry C 111 (43), 15942–15951, 2007
66*2007
Anisotropic united atom model including the electrostatic interactions of methylbenzenes. I. Thermodynamic and structural properties
C Nieto-Draghi, P Bonnaud, P Ungerer
The Journal of Physical Chemistry C 111 (43), 15686-15699, 2007
612007
Anisotropic united atom model including the electrostatic interactions of methylbenzenes. I. Thermodynamic and structural properties
C Nieto-Draghi, P Bonnaud, P Ungerer
The Journal of Physical Chemistry C 111 (43), 15686-15699, 2007
612007
Anisotropic united atom model including the electrostatic interactions of benzene
P Bonnaud, C Nieto-Draghi, P Ungerer
The Journal of Physical Chemistry B 111 (14), 3730-3741, 2007
522007
Interaction grand potential between calcium–silicate–hydrate nanoparticles at the molecular level
PA Bonnaud, C Labbez, R Miura, A Suzuki, N Miyamoto, N Hatakeyama, ...
Nanoscale 8 (7), 4160-4172, 2016
502016
Graphene-based ordered framework with a diverse range of carbon polygons formed in zeolite nanochannels
H Nishihara, H Fujimoto, H Itoi, K Nomura, H Tanaka, MT Miyahara, ...
Carbon 129, 854-862, 2018
492018
Effects of elevated temperature on the structure and properties of calcium–silicate–hydrate gels: the role of confined water
PA Bonnaud, Q Ji, KJ Van Vliet
Soft Matter 9 (28), 6418-6429, 2013
462013
Solvated calcium ions in charged silica nanopores
PA Bonnaud, B Coasne, RJM Pellenq
The Journal of Chemical Physics 137 (6), 064706, 2012
362012
Temperature dependence of nanoconfined water properties: application to cementitious materials
PA Bonnaud, H Manzano, R Miura, A Suzuki, N Miyamoto, N Hatakeyama, ...
The Journal of Physical Chemistry C 120 (21), 11465-11480, 2016
252016
Molecular intermittent dynamics of interfacial water: probing adsorption and bulk confinement
P Levitz, PA Bonnaud, PA Cazade, RJM Pellenq, B Coasne
Soft Matter 9 (36), 8654-8663, 2013
232013
Water isotherms, shrinkage and creep of cement paste: hypotheses, models and experiments
HM Jennings, E Masoero, MB Pinson, EG Strekalova, PA Bonnaud, ...
Mechanics and Physics of Creep, Shrinkage, and Durability of Concrete: A …, 2013
152013
DFT evaluation of thermomechanical properties of scheelite type MLiF4 (M= La, Ce, Pr, Nd, Pm, Sm, Gd, Tb, Dy, Ho, Er, Tm, Lu)
B Minisini, P Bonnaud, QA Wang, F Tsobnang
Computational materials science 42 (1), 156-160, 2008
72008
Modelling hysteresis in the water sorption and drying shrinkage of cement paste
E Masoero, MB Pinson, PA Bonnaud, H Manzano, Q Ji, S Yip, JJ Thomas, ...
CONCREEP 10, 306-312, 2015
32015
Confined water in nanoporous silica: application to humidity sensors
PA Bonnaud, R Miura, A Suzuki, N Miyamoto, N Hatakeyama, A Miyamoto
2016 IEEE 16th International Conference on Nanotechnology (IEEE-NANO), 270-272, 2016
22016
Thermodynamique et dynamique de l'eau, d'un électrolyte, donfinés dans des nanopores: application à l'hydrate cimentaire
P Bonnaud
Aix-Marseille 2, 2010
22010
Neat and aqueous polyelectrolytes under a steady-shear flow
PA Bonnaud, H Ushiyama, S Tejima, JI Fujita
The Journal of physical chemistry B 125 (25), 6930-6944, 2021
12021
Multiscale, multiphysics computational chemistry methods based on artificial intelligence integrated ultra-accelerated quantum molecular dynamics for the application to …
A Miyamoto, K Inaba, Y Ishizawa, M Sato, R Komuro, M Sato, R Sato, ...
SAE International Journal of Engines 9 (4), 2434-2441, 2016
12016
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