Zobrazeno 1 - 10
of 297
pro vyhledávání: '"A. Dufils"'
Publikováno v:
J. Chem. Theory Comput., 2023, 19: 5199
Electrochemical energy storage always involves the capacitive process. The prevailing electrode model used in the molecular simulation of polarizable electrode-electrolyte systems is the Siepmann-Sprik model developed for perfect metal electrodes. Th
Externí odkaz:
http://arxiv.org/abs/2303.15307
Autor:
Martin TROUILLARD, Sara BOSSHARDT, Floriane DERBEZ, Brieuc DESAINT, Arnaud DUFILS, Geoffrey MESBAHI
Publikováno v:
INRAE Productions Animales, Vol 37, Iss 2 (2024)
La philosophie de l’agriculture biologique implique que les pratiques agricoles s’inspirent des mécanismes naturels de développement du vivant. À ce titre, la déconnexion des productions animales et végétales opérée depuis la deuxième mo
Externí odkaz:
https://doaj.org/article/198c44f8c99d4e7f9b71912be7307cad
Autor:
Dufils, Thomas, Schran, Christoph, Chen, Ji, Geim, Andre K., Fumagalli, Laura, Michaelides, Angelos
Recent experiments have shown that the out-of-plane dielectric constant of water confined in nanoslits of graphite and hexagonal boron nitride (hBN) is vanishingly small. Despite extensive effort based mainly on classical force-field molecular dynami
Externí odkaz:
http://arxiv.org/abs/2211.14035
Autor:
Guan, Y., Marquis, E., Righi, M. Clelia, Galipaud, J., Dubreuil, F., Dufils, J., Macron, E., Dassenoy, F., de Barros Bouchet, M.-I.
Publikováno v:
In Tribology International April 2024 192
Autor:
Oikonomou, Evdokia K., Golemanov, Konstantin, Dufils, Pierre-Emmanuel, Wilson, James, Ahuja, Ritu, Heux, Laurent, Berret, Jean-François
Publikováno v:
ACS Appl. Polym. Mater. 2021, 3, 6, 3009 - 3018
We report the interactions of cationic latex particles synthesized by RAFT/MADIX-mediated emulsion polymerization with anionic cellulose nanocrystals (CNCs) and cotton fabrics. Latexes in the size range 200-300 nm with poly(butyl acrylate) or poly(2-
Externí odkaz:
http://arxiv.org/abs/2105.11209
Publikováno v:
J. Phys. Chem. Lett., 12, 4357-4361 (2021)
In recent years, constant applied potential molecular dynamics has allowed to study the structure and dynamics of the electrochemical double-layer of a large variety of nanoscale capacitors. Nevertheless it remained impossible to simulate polarized e
Externí odkaz:
http://arxiv.org/abs/2104.03177
Autor:
Roulet, Melanie, Atkins, Carolyn, Hugot, Emmanuel, Snell, Robert, van de Vorst, Bart, Morris, Katherine, Marcos, Michel, Todd, Iain, Miller, Christopher, Dufils, Joris, Farkas, Szigfrid, Mezo, Gyorgy, Tenegi, Fabio, Vega-Moreno, Afrodisio, Schnetler, Hermine
Publikováno v:
Proceedings Volume 11349, 3D Printed Optics and Additive Photonic Manufacturing II; 113490D (2020)
In this paper we are exploring the possibilities of 3D printing in the fabrication of mirrors for astronomy. Taking the advantages of 3D printing to solve the existing problems caused by traditional manufacturing, two proof-of-concept mirror fabricat
Externí odkaz:
http://arxiv.org/abs/2011.00855
Autor:
Savietto, D., Fillon, V., Temple-Boyer--Dury, A., Derbez, F., Aymard, P., Pujol, S., Rodriguez, A., Borne, S., Simon, S., Grillot, M., Lhoste, E., Dufils, A., Drusch, S.
Publikováno v:
In animal - open space December 2023 2
Publikováno v:
In Nutrition clinique et métabolisme November 2023 37(4):201-213
Publikováno v:
The Journal of Chemical Physics 153 (17), 174704 (2020)
Spurred by the increasing needs in electrochemical energy storage devices, the electrode/electrolyte interface has received a lot of interest in recent years. Molecular dynamics simulations play a proeminent role in this field since they provide a mi
Externí odkaz:
http://arxiv.org/abs/1910.13341