Patrick Alain Bonnaud

Profile Information

Affiliation: Visiting Researcher, Mechanical systems, Toyota Central R&D Labs., Inc.

ORCID ID: https://orcid.org/0000-0002-5181-3779
J-GLOBAL ID: 201901020470429980
Researcher ID: B-1863-2013
researchmap Member ID: B000364039

Research Interests

Research Areas

Manufacturing technology (mechanical, electrical/electronic, chemical engineering) / Machine materials and mechanics /

Research History

Apr, 2022 - Present

Molecular Simulations in Tribology (Visiting Researcher), Mechanical Systems, Toyota Central R&D Labs., Inc.
Apr, 2020 - Mar, 2022

Molecular simulations of rheological properties of polyelectrolytes (Researcher), University of Tsukuba, Research Organization for Information Science and Technology
Apr, 2019 - Mar, 2020

Molecular simulations of Electric Double Layer Capacitors (EDLC) with Ionic Liquids as Electrolytes (Postdoctoral associate), Institute for Materials Research, Tohoku University
May, 2017 - Apr, 2019

Molecular simulations of hydrocarbon transport in the organic matter of shales (Postdoctoral Associate), Laboratoire des Fluides Complexes et leurs Réservoirs, Université de Pau et des Pays de l’Adour
Apr, 2015 - May, 2017

Multi-scale simulations of porous materials and aggregates (Project Assistant Professor), New Industry Creation Hatchery Center, Tohoku University
May, 2014 - Mar, 2015

Multi-scale simulations of porous materials and aggregates (Postdoctoral Associate), New Industry Creation Hatchery Center, Tohoku University
Feb, 2011 - Feb, 2014

Molecular simulations of confined water and ions in cement nanopores to understand their role on physical and mechanical properties of calcium-silicate-hydrates (Postdoctoral Associate), Materials Science and Engineering, Massachusetts Institute of Technology
Sep, 2007 - Dec, 2010

Molecular simulations of thermodynamics and dynamics properties of confined water and electrolytes in nanopores with application to cement hydrates (Ph.D. Candidate), Physical-Chemistry and Materials Science, Aix-Marseille Université

Education

Sep, 2007 - Dec, 2010

Physical-chemistry and Materials Science, Aix-Marseille Université
Sep, 2006 - Jun, 2007

Materials Science and Nanoscience, Materials Science and Nanoscience, Aix-Marseille Université
Sep, 2003 - Sep, 2006

Materials Science, Materials Science, Institute of Materials and Advanced Mechanics (ISMANS, French engineering school)
Sep, 2001 - Jun, 2003

Mechanical Engineering, Mechanical Engineering, IUT B, University of Lyon (an institute of technology)

Awards

Nov, 2016

Special Recognition Award, Multiscale, Multiphysics Computational Chemistry Methods Based on Artificial Intelligence Integrated Ultra-Accelerated Quantum Molecular Dynamics for the Application to Automotive Emission Control, SAE/JSAE 2016 Small Engine Technology Conference

Miyamoto, Akira, Inaba, Kenji, Ishizawa, Yukie, Sato, Manami, Komuro, Rei, Sato, Masashi, Sato, Ryo, Bonnaud, Patrick A, Miura, Ryuji, Suzuki, Ai, Miyamoto, Naoto, Hatakeyama, Nozomu, Hariyama, Masanori

Papers

Molecular Simulations of Ionic Liquids at Charged Graphite Interfaces

Patrick A. Bonnaud, Hayato Shiba

The Journal of Physical Chemistry C, Nov 30, 2023
Modeling competitive adsorption and diffusion of CH4/CO2 mixtures confined in mature type-II kerogen: Insights from molecular dynamics simulations

Patrick A. Bonnaud, Fouad Oulebsir, Guillaume Galliero, Romain Vermorel

Fuel, Nov, 2023
Correction to “Viscoelasticity of Low-Molecular-Weight Polyelectrolytes”

Patrick A. Bonnaud, Hiroshi Ushiyama, Syogo Tejima, Jun-Ichi Fujita

The Journal of Physical Chemistry B, Aug 17, 2023
Modelling Shear Thinning of Imidazolium-based Ionic Liquids

Tatsuya Yamada, Patrick A. Bonnaud, Syogo Tejima, Jun-ichi Fujita

Chemical Physics Letters, 140387-140387, Feb, 2023
A comprehensive review of C-S-H empirical and computational models, their applications, and practical aspects

Eduardo Duque-Redondo, Patrick A. Bonnaud, Hegoi Manzano

Cement and Concrete Research, 156 106784-106784, Jun, 2022
Neat and Aqueous Polyelectrolytes under a Steady-Shear Flow

Patrick A. Bonnaud, Hiroshi Ushiyama, Syogo Tejima, Jun-Ichi Fujita

The Journal of Physical Chemistry B, 125(25) 6930-6944, Jul 1, 2021
Graphene-based ordered framework with a diverse range of carbon polygons formed in zeolite nanochannels

Nishihara, H., Fujimoto, H., Itoi, H., Nomura, K., Tanaka, H., Miyahara, M.T., Bonnaud, P.A., Miura, R., Suzuki, A., Miyamoto, N. …

Carbon, 129, 2018
Development of Biofilm Growth Simulation based on Multiscale Computational Chemistry

Nozomu Hatakeyama, Chieko Nagayama, Hokuto Hata, Yukie Ishizawa, Ryo Sato, Patrick Bonnaud, Ryuji Miura, Ai Suzuki, Akira Miyamoto

Journal of Computer Chemistry, Japan, 15(6) 221-222, 2016 Peer-reviewed
Confined Water in Nanoporous Silica: Application to Humidity Sensors

Patrick A. Bonnaud, Ryuji Miura, Ai Suzuki, Naoto Miyamoto, Nozomu Hatakeyama, Akira Miyamoto

2016 IEEE 16TH INTERNATIONAL CONFERENCE ON NANOTECHNOLOGY (IEEE-NANO), 270-272, 2016 Peer-reviewed
Particulate Matter Formation Dynamics as Investigated by Ultra-Accelerated Quantum Chemical Molecular Dynamics Coupled with Canonical Monte Carlo Method

Miyamoto, A., Inaba, K., Obara, Y., Ishizawa, Y., Sato, E., Sase, M., Bonnaud, P., Miura, R., Suzuki, A., Miyamoto, N. …

SAE Technical Papers, 2016
Temperature Dependence of Nanoconfined Water Properties: Application to Cementitious Materials

Bonnaud, P.A., Manzano, H., Miura, R., Suzuki, A., Miyamoto, N., Hatakeyama, N., Miyamoto, A.

Journal of Physical Chemistry C, 120(21), 2016
Effect of the Titanium Nanoparticle on the Quantum Chemical Characterization of the Liquid Sodium Nanofluid

Suzuki, A., Bonnaud, P., Williams, M.C., Selvam, P., Aoki, N., Miyano, M., Miyamoto, A., Saito, J.-I., Ara, K.

Journal of Physical Chemistry B, 120(14), 2016
Multiscale, Multiphysics Computational Chemistry Methods Based on Artificial Intelligence Integrated Ultra-Accelerated Quantum Molecular Dynamics for the Application to Automotive Emission Control

Miyamoto, A., Inaba, K., Ishizawa, Y., Sato, M., Komuro, R., Sato, M., Sato, R., Bonnaud, P., Miura, R., Suzuki, A. …

SAE International Journal of Engines, 9(4), 2016
Interaction grand potential between calcium-silicate-hydrate nanoparticles at the molecular level

Bonnaud, P.A., Labbez, C., Miura, R., Suzuki, A., Miyamoto, N., Hatakeyama, N., Miyamoto, A., Van Vliet, K.J.

Nanoscale, 8(7), 2016
Hysteresis from multiscale porosity: Modeling water sorption and shrinkage in cement paste

Pinson, M.B., Masoero, E., Bonnaud, P.A., Manzano, H., Ji, Q., Yip, S., Thomas, J.J., Bazant, M.Z., Van Vliet, K.J., Jennings, H.M.

Physical Review Applied, 3(6), 2015
Molecular intermittent dynamics of interfacial water: Probing adsorption and bulk confinement

Levitz, P., Bonnaud, P.A., Cazade, P.-A., Pellenq, R.J.-M., Coasne, B.

Soft Matter, 9(36), 2013
Molecular intermittent dynamics of interfacial water: Probing adsorption and bulk confinement

Levitz, P., Bonnaud, P.A., Cazade, P.-A., Pellenq, R.J.-M., Coasne, B.

Soft Matter, 9(36), 2013
Molecular intermittent dynamics of interfacial water: probing adsorption and bulk confinement

Levitz, P., Bonnaud, P. A., Cazade, P. -A., Pellenq, R. J. -M., Coasne, B.

Soft Matter, 9(36), 2013
Effects of elevated temperature on the structure and properties of calcium-silicate-hydrate gels: The role of confined water

Bonnaud, P.A., Ji, Q., Van Vliet, K.J.

Soft Matter, 9(28), 2013
Thermodynamics of water confined in porous calcium-silicate-hydrates

Bonnaud, P.A., Ji, Q., Coasne, B., Pellenq, R.J.-M., Van Vliet, K.J.

Langmuir, 28(31), 2012

Presentations

6

Dilatant Properties of Low Molecular-Weight Polyelectrolytes

Patrick A. Bonnaud

Fall meeting of the Society of Computer Chemistry, Japan (2021), Nov 2, 2021
12

Molecular Simulations of Neat and Aqueous Polyelectrolytes Having Low Molecular Weights

Patrick A. Bonnaud

18th International Conference of Flow Dynamics (ICFD2021), Oct 27, 2021
50

Nano-rheological Properties of Aqueous Polyelectrolyte Solutions

Patrick A. Bonnaud

68th Spring Meeting of the Japan Society of Applied Physics (JSAP), Mar, 2021
Molecular Simulations of Ionic-Liquid-based Electrical Double Layer Capacitors

Patrick A. Bonnaud

33rd meeting of the Molecular Simulation Society of Japan, Dec, 2019
Simulations of Electric Double Layer Capacitors with Ionic Liquids as Electrolytes

Patrick A. Bonnaud

16th International Conference of Flow Dynamics (ICFD2019), Nov, 2019 Invited
Molecular Simulations of Ionic-Liquid-based Electrical Double Layer Capacitors

Patrick A. Bonnaud

10th Meeting of the Ionic Liquid Research Association, Nov, 2019
Transport properties of fluids in kerogen membranes

Patrick A. Bonnaud

InterPore, May, 2019
Transport Properties of Fluid Mixtures in Micro- and Mesoporous Kerogen Membranes

Patrick A. Bonnaud

15th International Conference on Flow Dynamics, Nov, 2018
Transport Properties of Fluid Mixtures in Micro- and Mesoporous Kerogen Membranes

Patrick A. Bonnaud

9th International Conference on Multiscale Materials Modeling, Oct, 2018
Transport Properties of Fluids in Micro- and Mesoporous Kerogen Membranes

Patrick A. Bonnaud

MATHIAS 2018: Computational Science Engineering & Data Science by TOTAL, Oct, 2018
Transport Properties of Fluid Mixtures in Micro- and Mesoporous Kerogen Membranes

Patrick A. Bonnaud

14èmes Journées d’Etude des Milieux Poreux – French InterPore Chapter, Oct, 2018
Prediction of the Macroscopic Linear Strain from Cement Nanopores

Patrick A. Bonnaud

InterPore 2017, May, 2017
Molecular simulations of water adsorption in nanoporous silica: application of the BET model

Patrick A. Bonnaud

30th Annual Meeting of the Japanese Society of Adsorption, Nov, 2016
Humidity Sensors for the Next Generation of Automobiles

Patrick A. Bonnaud

International Conference “global/local innovations for next generation automobiles”, Oct, 2016 Invited
Efficiency and Aging of the Next Generation of Automotive Catalysts using Artificial Intelligence-based Multiscale, Multiphysics Simulations

Patrick A. Bonnaud

TFC-ELyT Workshop 2016, Oct, 2016
Confined Water in Nanoporous Silica: Application to Humidity Sensors

Patrick A. Bonnaud

16th International Conference on Nanotechnology (IEEE NANO 2016), Aug, 2016
Molecular Scale Analysis of Water Sorption in Cement Mesopores

Patrick A. Bonnaud

12th International Conference on the Fundamentals of Adsorption (FOA12), Jun, 2016
Interaction grand potential between calcium-silicate-hydrate nanoparticles at the molecular level

Patrick A. Bonnaud

Engineering Mechanics Institute Conference (EMI) 2016, May, 2016
Molecular scale analysis of the coupling between water sorption and the mechanical behaviour of mesoporous silica

Patrick A. Bonnaud

12th International Conference on the Fundamentals of Adsorption (FOA12), 2016
Grand Potential between calcium-silicate-hydrate nanoparticles via molecular simulations

Patrick A. Bonnaud

School of Civil Engineering and Geosciences (CEG), Newcastle University, 2016 Invited

Teaching Experience

Sep, 2008 - Jun, 2010

Analogue electronics (Aix-Marseille Université)
Sep, 2008 - Jun, 2010

Geometrical optics (Aix-Marseille Université)

Media Coverage

A computer-aided technique for the molecular design of machine friendly and environmentally friendly oil additives

Toyota Central R&D Labs, Inc., https://www.tytlabs.co.jp, Nagakute, Aichi, Sep, 2023 Internet

Profile Information

Research Interests

Research Areas

Research History

Education

Awards

Papers

Presentations

Teaching Experience

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