Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Thomas Dufils"'
Publikováno v:
The Journal of Physical Chemistry Letters
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:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::25c3d0ead55337a42eb919150ee3deb5
Autor:
Sara Bonella, Alessandra Serva, Stewart K. Reed, Alessandro Coretti, Benjamin Rotenberg, Abel Marin-Laflèche, Paul A. Madden, Matthieu Haefele, Thomas Dufils, Guillaume Jeanmairet, Laura Scalfi, Camille Bacon, Roxanne Berthin, Mathieu Salanne
Publikováno v:
Journal of Open Source Software
Journal of Open Source Software, 2020, 5 (53), pp.2373. ⟨10.21105/joss.02373⟩
Journal of Open Source Software, Open Journals, 2020, 5 (53), pp.2373. ⟨10.21105/joss.02373⟩
Journal of Open Source Software, 2020, 5 (53), pp.2373. ⟨10.21105/joss.02373⟩
Journal of Open Source Software, Open Journals, 2020, 5 (53), pp.2373. ⟨10.21105/joss.02373⟩
International audience; Applied electrochemistry plays a key role in many technologies, such as Li-ion batteries, fuelcells, supercapacitors, solar cells, etc. It is therefore at the core of many research programs allover the world. However, fundamen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::62776f90adb51b9b0ffd085bf54fb9a5
https://hal.sorbonne-universite.fr/hal-02975415
https://hal.sorbonne-universite.fr/hal-02975415
Publikováno v:
Chemical Geology. 493:298-315
Because magmatic liquids play a fundamental role in the evolution of the terrestrial planets, a precise knowledge of their physical properties is requisite to better understand the formation and the dynamics of planetary interiors. In using an improv
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3f375d969022a55f7f0862807fc4e1c3
https://doi.org/10.1016/j.chemgeo.2018.06.003
https://doi.org/10.1016/j.chemgeo.2018.06.003
Publikováno v:
Physical Review Letters
Physical Review Letters, American Physical Society, 2019, 123 (19), ⟨10.1103/PhysRevLett.123.195501⟩
Physical Review Letters, American Physical Society, 2019, 123 (19), ⟨10.1103/PhysRevLett.123.195501⟩
A better understanding of interfacial mechanisms is needed to improve the performances of electrochemical devices. Yet, simulating an electrode surface at fixed electrolyte composition remains a challenge. Here we apply a finite electric field to a s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a1b1e4ca0122f2bb4a632f11905f6e9b
https://pubmed.ncbi.nlm.nih.gov/31765198
https://pubmed.ncbi.nlm.nih.gov/31765198
Publikováno v:
Chemical Geology
Chemical Geology, Elsevier, 2016, ⟨10.1016/j.chemgeo.2016.06.030⟩
Chemical Geology, 2016, ⟨10.1016/j.chemgeo.2016.06.030⟩
Chemical Geology, Elsevier, 2016, ⟨10.1016/j.chemgeo.2016.06.030⟩
Chemical Geology, 2016, ⟨10.1016/j.chemgeo.2016.06.030⟩
International audience; A new atom-atom interaction potential is introduced for describing by classical molecular dynamics (MD) simulation the physical properties of natural silicate melts. The equation of state, the microscopic structure, the viscos
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fca060d5094dcb35c8eb656ca255c1ac
https://hal.sorbonne-universite.fr/hal-01346251/document
https://hal.sorbonne-universite.fr/hal-01346251/document