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Alain Dequidt

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Leaching of plasticizers from PVC medical devices: A molecular interpretation of experimental migration data

Meriem Sahnoune Millot , Julien Devémy , Philip Chennell , Jérémy Pinguet , Alain Dequidt
Journal of Molecular Liquids, 2024, 396, pp.123965. ⟨10.1016/j.molliq.2024.123965⟩
Article dans une revue hal-04406616v1
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Development of anisotropic force fields for homopolymer melts at the mesoscale

Roland Leonel Nkepsu Mbitou , Alain Dequidt , Florent Goujon , Benoit Latour , Julien Devémy
Journal of Chemical Physics, 2024, 160 (6), pp.064910. ⟨10.1063/5.0187040⟩
Article dans une revue hal-04455468v1
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Drug Interactions with Plasticized PVCs

Meriem Sahnoune , Nicolas Tokhadzé , Sarah Ech Cherif El Kettani , Julien Devémy , Florent Goujon
ACS Applied Polymer Materials, inPress, ⟨10.1021/acsapm.2c00532⟩
Article dans une revue hal-03682638v1

Consistent and Transferable Force Fields for Statistical Copolymer Systems at the Mesoscale

R. Nkepsu Mbitou , F. Goujon , A. Dequidt , B. Latour , J. Devémy
Journal of Chemical Theory and Computation, 2022, 18 (11), pp.6940-6951. ⟨10.1021/acs.jctc.2c00945⟩
Article dans une revue hal-03943024v1
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Investigation of the Complexation between 4-Aminoazobenzene and Cucurbit[7]uril through a Combined Spectroscopic, Nuclear Magnetic Resonance, and Molecular Simulation Studies

Sabine Sarraute , Anne-Sophie Biesse-Martin , Julien Devemy , Alain Dequidt , Christine Bonal
ACS Omega, 2022, 7, pp.25013 - 25021. ⟨10.1021/acsomega.2c00499⟩
Article dans une revue hal-03762887v1
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Predicting Mechanical Constitutive Laws of Elastomers with Mesoscale Simulations

Gérald Munoz , Alain Dequidt , Nicolas Martzel , Ronald Blaak , Armel Mbiakop-Ngassa
Macromolecules, 2022, 55, 5 (1487-1494), pp.acs.macromol.1c02076. ⟨10.1021/acs.macromol.1c02076⟩
Article dans une revue hal-03579023v1
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Insulin Adsorption onto PE and PVC Tubings

Nicolas Tokhadzé , Meriem Sahnoune , Julien Devémy , Alain Dequidt , Florent Goujon
ACS Applied Bio Materials, 2022, ⟨10.1021/acsabm.2c00029⟩
Article dans une revue hal-03682647v1

Rheological properties of polymer chains at a copper oxide surface: Impact of the chain length, surface coverage, and grafted polymer shape

José Solano Canchaya , Germain Clavier , Sébastien Garruchet , Benoit Latour , Nicolas Martzel
Physical Review E , 2021, 104 (2), pp.024501. ⟨10.1103/PhysRevE.104.024501⟩
Article dans une revue hal-03542591v1
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Heterogeneity Effects in Highly Cross-Linked Polymer Networks

Gérald Munoz , Alain Dequidt , Nicolas Martzel , Ronald Blaak , Florent Goujon
Polymers, 2021, 13 (5), pp.757. ⟨10.3390/polym13050757⟩
Article dans une revue hal-03159245v1

Backbone oriented anisotropic coarse grains for efficient simulations of polymers

Florent Goujon , Nicolas Martzel , Alain Dequidt , Benoit Latour , Sébastien Garruchet
Journal of Chemical Physics, 2020, 153 (21), pp.214901. ⟨10.1063/5.0019945⟩
Article dans une revue hal-03109519v1

Multi-scale modeling of the polymer–filler interaction

Kevin Kempfer , Julien Devémy , Alain Dequidt , Marc Couty , Patrice Malfreyt
Soft Matter, 2020, 16 (6), pp.1538-1547. ⟨10.1039/C9SM01959F⟩
Article dans une revue hal-02476474v1

Grain Shape Dynamics for Molecular Simulations at the Mesoscale

Nicolas Martzel , Alain Dequidt , Julien Devémy , Ronald Blaak , Sébastien Garruchet
Advanced Theory and Simulations, 2020, pp.2000124. ⟨10.1002/adts.202000124⟩
Article dans une revue hal-02918184v1

Development of a coarse-grain model for the description of the metal oxide-polymer interface from a bottom-up approach

José Solano Canchaya , Alain Dequidt , Sébastien Garruchet , Benoit Latour , Nicolas Martzel
Journal of Chemical Physics, 2019, 151 (6), pp.064703. ⟨10.1063/1.5115148⟩
Article dans une revue hal-02265700v1

Lehmann effect in nematic and cholesteric liquid crystals: a review

P. Oswald , A. Dequidt , G. Poy
Liquid Crystals Reviews, 2019, 7 (2), pp.142-166. ⟨10.1080/21680396.2019.1671244⟩
Article dans une revue hal-02319991v1

Development of Coarse-Grained Models for Polymers by Trajectory Matching

Kévin Kempfer , Julien Devemy , Alain Dequidt , Marc Couty , Patrice Malfreyt
ACS Omega, 2019, 4 (3), pp.5955-5967. ⟨10.1021/acsomega.9b00144⟩
Article dans une revue hal-02168492v1

Lehmann rotation of cholesteric droplets driven by Marangoni convection

P. Oswald , J. Ignes-Mullol , Alain Dequidt
Soft Matter, 2019, 15 (12), pp.2591-2604. ⟨10.1039/C8SM02574F⟩
Article dans une revue hal-02168494v1

Atomistic Descriptions of the cis -1,4-Polybutadiene/Silica Interfaces

K. Kempfer , J. Devémy , Alain Dequidt , M. Couty , P. Malfreyt
ACS Applied Polymer Materials, 2019, 1 (5), pp.969-981. ⟨10.1021/acsapm.8b00274⟩
Article dans une revue hal-02168484v1

Realistic Coarse-Grain Model of cis -1,4-Polybutadiene: From Chemistry to Rheology

K. Kempfer , J. Devémy , Alain Dequidt , M. Couty , P. Malfreyt
Macromolecules, 2019, 52 (7), pp.2736-2747. ⟨10.1021/acs.macromol.8b02750⟩
Article dans une revue hal-02168489v1
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How Does the Surface Tension Depend on the Surface Area with Coarse-Grained Models?

Florent Goujon , Alain Dequidt , Aziz Ghoufi , Patrice Malfreyt
Journal of Chemical Theory and Computation, 2018, 14 (5), pp.2644 - 2651. ⟨10.1021/acs.jctc.8b00158⟩
Article dans une revue hal-01790498v1

Acceleration and Homogenization of the Dynamics during Plastic Deformation

Luca Conca , Alain Dequidt , Paul Sotta , Didier Long
Macromolecules, 2017, 50 (23), pp.9456-9472. ⟨10.1021/acs.macromol.7b01391⟩
Article dans une revue hal-02191773v1

Molecular understanding of pyridinium ionic liquids as absorbents with water as refrigerant for use in heat pumps

Pablo Sánchez , Mounir Traïkia , Alain Dequidt , Agilio A. H. Padua , Josefa García
AIChE Journal, 2017, 63 (8), pp.3523 - 3531. ⟨10.1002/aic.15690⟩
Article dans une revue hal-01656063v1

ForConX: A forcefield conversion tool based on XML

Volker Lesch , Diddo Diddens , Carlos E. S. Bernardes , Benjamin Golub , Alain Dequidt
Journal of Computational Chemistry, 2017, 38 (9), pp.629 - 638. ⟨10.1002/jcc.24708⟩
Article dans une revue hal-01647926v1
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Role of dynamical heterogeneities on the mechanical response of confined polymer

R.J. Masurel , P. Gelineau , Sabine Cantournet , A. Dequidt , D.R. Long
Physical Review Letters, 2017, 118 (4), pp.047801. ⟨10.1103/PhysRevLett.118.047801⟩
Article dans une revue hal-01498220v1

How Does the Addition of a Third Ion Affect the Molecular Interactions and the Thermodynamic Properties of Acetate-Based Ionic Liquids?

I. Otero , L. F. Lepre , A. Dequidt , P. Husson , M. F. Costa Gomes
Journal of Physical Chemistry B, 2017, 121 (41), pp.9725 - 9736. ⟨10.1021/acs.jpcb.7b06452⟩
Article dans une revue hal-01647870v1

Heterogeneous Dynamics and Polymer Plasticity

Alain Dequidt , Luca Conca , Jean-Yves Delannoy , Paul Sotta , François Lequeux
Macromolecules, 2016, 49 (23), pp.9148-9162. ⟨10.1021/acs.macromol.6b01375⟩
Article dans une revue hal-02191795v1

Development of DPD coarse-grained models: from bulk to interfacial properties.

José G. Solano Canchaya , Alain Dequidt , Florent Goujon , Patrice Malfreyt
Journal of Chemical Physics, 2016, 145, pp.054107. ⟨10.1063/1.4960114⟩
Article dans une revue hal-01483579v1

Thermalized Drude Oscillators with the LAMMPS Molecular Dynamics Simulator.

Alain Dequidt , Julien Devémy , Agílio A. H. Pádua
Journal of Chemical Information and Modeling, 2016, 56, pp.260-268. ⟨10.1021/acs.jcim.5b00612⟩
Article dans une revue hal-01334815v1

Generalized drift velocity of a cholesteric texture in a temperature gradient.

Alain Dequidt , Guilhem Poy , Patrick Oswald
Soft Matter, 2016, 12, pp.7529-7538. ⟨10.1039/C6SM01359G⟩
Article dans une revue hal-01483583v1

Lehmann rotation of twisted bipolar cholesteric droplets: role of Leslie, Akopyan and Zel’dovich thermomechanical coupling terms of nematodynamics

P. Oswald , G. Poy , A. Dequidt
Liquid Crystals, 2016, 44 (6), pp.969 - 988. ⟨10.1080/02678292.2016.1255363⟩
Article dans une revue hal-01648013v1

Confined KCl solution between two mica surfaces: equilibrium and frictional properties.

Alain Dequidt , Julien Devémy , Patrice Malfreyt
Journal of Physical Chemistry C, 2015, 119, pp.22080-22085. ⟨10.1021/acs.jpcc.5b06880⟩
Article dans une revue hal-01216154v1

Bayesian parametrization of coarse-grain dissipative dynamics models.

Alain Dequidt , Jose G. Solano Canchaya
Journal of Chemical Physics, 2015, 143, pp.084122. ⟨10.1063/1.4929557⟩
Article dans une revue hal-01212243v1

Role of Dynamical Heterogeneities on the Viscoelastic Spectrum of Polymers: A Stochastic Continuum Mechanics Model

Robin J. Masurel , Sabine Cantournet , Alain Dequidt , Didier R. Long , Hélène Montes
Macromolecules, 2015, 48 (18), pp.6690-6702. ⟨10.1021/acs.macromol.5b01138⟩
Article dans une revue hal-01515628v1

Solvation of a cellulose microfibril in imidazolium acetate ionic liquids: Effect of a cosolvent.

Sadiye Velioglu , Xun Yao , Julien Devémy , M. Goktug Ahunbay , S. Birgul Tantekin-Ersolmaz
Journal of Physical Chemistry B, 2014, 118, pp.14860-14869. ⟨10.1021/jp508113a⟩
Article dans une revue hal-01179925v1

Alloy hardening of a smectic A liquid crystal doped with gold nanoparticles

Patrick Oswald , Jonathan Milette , Sabrina Relaix , Linda Reven , Alain Dequidt
EPL - Europhysics Letters, 2013, 103, pp.46004. ⟨10.1209/0295-5075/103/46004⟩
Article dans une revue hal-00914132v1

Yield torque sliding anchoring in nematic liquid crystals

Patrick Oswald , Alain Dequidt
Europhyics Letters, 2013, 103, pp.26002. ⟨10.1209/0295-5075/103/26002⟩
Article dans une revue hal-00914129v1

Mechanical properties of thin confined polymer films close to the glass transition in the linear regime of deformation: theory and simulations.

Alain Dequidt , Didier R. Long , Paul Sotta , Olivier Sanséau
European Physical Journal E: Soft matter and biological physics, 2012, 35 (7), pp.61. ⟨10.1140/epje/i2012-12061-6⟩
Article dans une revue hal-00767673v1
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Reply to the comment by H. Pleiner and H.R. Brand

Patrick Oswald , Alain Dequidt
EPL - Europhysics Letters, 2010, 89 (2), pp.26004
Article dans une revue ensl-00507799v1

Lehmann effect in chiral liquid crystals and Langmuir monolayers: an experimental survey

Patrick Oswald , Alain Dequidt
Liquid Crystals, 2009, 36 (10-11), pp.1071-1084
Article dans une revue ensl-00508347v1
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Measurement of the continuous Lehmann rotation of cholesteric droplets subjected to a temperature gradient

Patrick Oswald , Alain Dequidt
Physical Review Letters, 2008, 100 (21), pp.217802. ⟨10.1103/PhysRevLett.100.217802⟩
Article dans une revue ensl-00351675v1
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Lehmann effect in a compensated cholesteric liquid crystal: Experimental evidence with fixed and gliding boundary conditions

Alain Dequidt , Andrzej Zywocinski , Patrick Oswald
European Physical Journal E: Soft matter and biological physics, 2008, 25 (4), pp.277-289. ⟨10.1140/epje/i2007-10290-4⟩
Article dans une revue ensl-00272491v1
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Sliding planar anchoring and viscous surface torque in a cholesteric liquid crystal

Patrick Oswald , Alain Dequidt , Andrzej Zywocinski
Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, 2008, 77 (6), pp.061703. ⟨10.1103/PhysRevE.77.061703⟩
Article dans une revue ensl-00351712v1
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Thermomechanically driven spirals in a cholesteric liquid crystal

Patrick Oswald , Alain Dequidt
Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, 2008, 77 (5), pp.051706. ⟨10.1103/PhysRevE.77.051706⟩
Article dans une revue ensl-00351717v1
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Direct measurement of the thermomechanical Lehmann coefficient in a compensated cholesteric liquid crystal

Patrick Oswald , Alain Dequidt
EPL - Europhysics Letters, 2008, 83 (1), pp.16005. ⟨10.1209/0295-5075/83/16005⟩
Article dans une revue ensl-00351719v1
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Does the electric Lehmann effect exist in cholesteric liquid crystals?

Alain Dequidt , Patrick Oswald
European Physical Journal E: Soft matter and biological physics, 2007, 24 (2), pp.157-166. ⟨10.1140/epje/i2007-10226-0⟩
Article dans une revue ensl-00202320v1
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Lehmann effect in compensated cholesteric liquid crystals

Alain Dequidt , Patrick Oswald
EPL - Europhysics Letters, 2007, 80 (2), 26001 (5 p.). ⟨10.1209/0295-5075/80/26001⟩
Article dans une revue ensl-00202319v1
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Zigzag instability of a chi disclination line in a cholesteric liquid crystal

Alain Dequidt , Patrick Oswald
European Physical Journal E: Soft matter and biological physics, 2006, 19 (4), pp.489-500
Article dans une revue ensl-00182727v1
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Effet Lehmann dans les cristaux liquides cholestériques

Alain Dequidt
Dynamique des Fluides [physics.flu-dyn]. Ecole normale supérieure de lyon - ENS LYON, 2008. Français. ⟨NNT : ⟩
Thèse tel-00376381v1

Les effets thermomécanqiues dans les cristaux liquides

Patrick Oswald , Alain Dequidt , Guilhem Poy
Pawel Pieranski et Maria Helena Godinho. Cristaux liquides nouvelles perspectives, ISTE Editions Ltd, 2022, Physique de la matière molle Cristaux liquides lyotropes et thermotropes, 978-1-78948-040-5
Chapitre d'ouvrage hal-03795839v1

Thermomechanical effects in liquid crystals

Patrick Oswald , Alain Dequidt , Guilhem Poy
ISTE-Wiley. Liquid Crystals New Perspectives, 2021, 9781789450408
Chapitre d'ouvrage hal-02990190v1

A Multiscale Modelling Approach for the Design of new Polymer Materials

Alain Dequidt , Sébastien Garruchet , Benoit Latour , Nicolas Martzel , Ronald Blaak
30th European Symposium on Computer Aided Process Engineering, pp.25-30, 2020, ⟨10.1016/B978-0-12-823377-1.50005-7⟩
Chapitre d'ouvrage hal-03109551v1

Mechanical Properties of Polymers and Nano-Composites Close to the Glass Transition.

A. Dequidt , D.R. Long , S. Merabia , P. Sotta
C.B. Roth. Polymer Glasses, Taylor & Francis Group, pp.301-354, 2016
Chapitre d'ouvrage hal-01489479v1
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Modélisation multi-échelles de matériaux liquides

Alain Dequidt
Chimie-Physique [physics.chem-ph]. École Doctorale des Sciences Fondamentales de l'Université Clermont Auvergne, 2019
HDR tel-02392894v1