Liste des publications issues de travaux ayant bénéficié des ressources du mésocentre

2022

Liangzhao Huang; Paul Eymeoud; Philippe Maugis

Atomistic investigation on the impact of substitutional Al and Si atoms on the carbon kinetics in ferrite Article de journal

Dans: JOURNAL OF ALLOYS AND COMPOUNDS, vol. 921, 2022, ISSN: 0925-8388.

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Sanjeev Kumar; Marc Medale; David Brutin

Numerical model for sessile drop evaporation on heated substrate under microgravity Article de journal

Dans: INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER, vol. 195, 2022, ISSN: 0017-9310.

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Etienne Combrisson; Michele Allegra; Ruggero Basanisi; Robin A. A. Ince; Bruno L. Giordano; Julien Bastin; Andrea Brovelli

Group-level inference of information-based measures for the analyses of cognitive brain networks from neurophysiological data Article de journal

Dans: NEUROIMAGE, vol. 258, 2022, ISSN: 1053-8119.

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Saikat Mukherjee; Mario Barbatti

A Hessian-Free Method to Prevent Zero-Point Energy Leakage in Classical Trajectories Article de journal

Dans: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2022, ISSN: 1549-9618.

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Claude Gregoire; Lionel Spinelli; Sergio Villazala-Merino; Laurine Gil; Maria Pia Holgado; Myriam Moussa; Chuang Dong; Ana Zarubica; Mathieu Fallet; Jean-Marc Navarro; Bernard Malissen; Pierre Milpied; Mauro Gaya

Viral infection engenders bona fide and bystander subsets of lung-resident memory B cells through a permissive mechanism Article de journal

Dans: IMMUNITY, vol. 55, no. 7, p. 1216+, 2022, ISSN: 1074-7613.

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Dmytro Kandaskalov; Liangzhao Huang; Johnathan Emo; Philippe Maugis

Carbon diffusion in bcc- and bct-Fe: Influence of short-range C-C pair interactions studied from first-principles calculations Article de journal

Dans: MATERIALS CHEMISTRY AND PHYSICS, vol. 286, 2022, ISSN: 0254-0584.

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M. Taha; S. Zhao; A. Lamorlette; J. L. Consalvi; P. Boivin

Lattice-Boltzmann modeling of buoyancy-driven turbulent flows Article de journal

Dans: PHYSICS OF FLUIDS, vol. 34, no. 5, 2022, ISSN: 1070-6631.

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Jianhua Fan; Li-Hua Luu; Pierre Philippe; Gildas Noury

Discharge rate characterization for submerged grains flowing through a hopper using DEM-LBM simulations Article de journal

Dans: POWDER TECHNOLOGY, vol. 404, 2022, ISSN: 0032-5910.

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G. Bonnet; E. Nezri; K. Kraljic; C. Schimd

Morphology of dark matter haloes beyond triaxiality Article de journal

Dans: MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY, vol. 513, no. 4, p. 4929-4944, 2022, ISSN: 0035-8711.

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Ritam Mansour; Saikat Mukherjee; Max Jr. Pinheiro; Jennifer A. Noble; Christophe Jouvet; Mario Barbatti

Pre-Dewar structure modulates protonated azaindole photodynamics Article de journal

Dans: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 24, no. 20, p. 12346-12353, 2022, ISSN: 1463-9076.

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G. Wissocq; T. Coratger; G. Farag; S. Zhao; P. Boivin; P. Sagaut

Restoring the conservativity of characteristic-based segregated models: Application to the hybrid lattice Boltzmann method Article de journal

Dans: PHYSICS OF FLUIDS, vol. 34, no. 4, 2022, ISSN: 1070-6631.

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Hung Truong; Thomas Engels; Henja Wehmann; Dmitry Kolomenskiy; Fritz-Olaf Lehmann; Kai Schneider

An experimental data-driven mass-spring model of flexible Calliphora wings Article de journal

Dans: BIOINSPIRATION & BIOMIMETICS, vol. 17, no. 2, 2022, ISSN: 1748-3182.

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H Bufferand; J Balbin; S Baschetti; J Bucalossi; G Ciraolo; Ph Ghendrih; R Mao; N Rivals; P Tamain; H Yang; G Giorgiani; F Schwander; M Scotto d'Abusco; E Serre; J Denis; Y Marandet; M Raghunathan; P Innocente; D Galassi

Implementation of multi-component Zhdanov closure in SOLEDGE3X Article de journal

Dans: Plasma Physics and Controlled Fusion, vol. 64, no. 5, p. 055001, 2022.

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Sara Scaramuzzino; Delphine Potier; Robin Ordioni; Pierre Grenot; Dominique Payet-Bornet; Herve Luche; Bernard Malissen

Single-cell transcriptomics uncovers an instructive T-cell receptor role in adult gamma delta T-cell lineage commitment Article de journal

Dans: EMBO JOURNAL, 2022, ISSN: 0261-4189.

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Umberto D'Ortona; Nathalie Thomas; Richard M. Lueptow

Mechanisms for recirculation cells in granular flows in rotating cylindrical rough tumblers Article de journal

Dans: Physical Review E, vol. 105, no. 1, 2022, ISSN: 2470-0053.

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Elena Alekseenko; Bernard Roux; Konstantin Kuznetsov

Wind-Induced Resuspension and Transport of Contaminated Sediment from the Rove Canal into the Etang De Berre, France Article de journal

Dans: Water, vol. 14, no. 1, 2022, ISSN: 2073-4441.

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M. Bouffard; B. Favier; D. Lecoanet; M. Le Bars

Internal gravity waves in a stratified layer atop a convecting liquid core in a non-rotating spherical shell Article de journal

Dans: GEOPHYSICAL JOURNAL INTERNATIONAL, vol. 228, no. 1, p. 337-354, 2022, ISSN: 0956-540X.

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Karthik Bhairapurada; Bruno Denet; Pierre Boivin

A Lattice-Boltzmann study of premixed flames thermo-acoustic instabilities Article de journal

Dans: Combustion and Flame, vol. 240, p. 112049, 2022, ISSN: 0010-2180.

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2021

Paul Eymeoud; Liangzhao Huang; Philippe Maugis

Impact of Ni alloying on Fe-C martensite ageing: an atomistic investigation Article de journal

Dans: Scripta materialia, vol. 205, 2021, ISSN: 1359-6462.

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T. Coratger; G. Farag; S. Zhao; Pierre Boivin; P. Sagaut

Large-eddy lattice-Boltzmann modeling of transonic flows Article de journal

Dans: Physics of Fluids, vol. 33, no. 11, p. 115112, 2021.

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Guanxiong Wang; Lincheng Xu; Eric Serre; Pierre Sagaut

Large temperature difference heat dominated flow simulations using a pressure-based lattice Boltzmann method with mass correction Article de journal

Dans: Physics of Fluids, vol. 33, no. 11, p. 116107, 2021.

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E A Hodille; R Delaporte-Mathurin; J Denis; M Pecovnik; E Bernard; Y Ferro; R Sakamoto; Y Charles; J Mougenot; De A Backer; C S Becquart; S Markelj; C Grisolia

Modelling of hydrogen isotopes trapping, diffusion and permeation in divertor monoblocks under ITER-like conditions Article de journal

Dans: vol. 61, no. 12, p. 126003, 2021.

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Hung Truong; Thomas Engels; Henja Wehmann; Dmitry Kolomenskiy; Fritz-Olaf Lehmann; Kai Schneider

An experimental data-driven mass-spring model of flexible Calliphora wings Article de journal

Dans: Bioinspiration & Biomimetics, 2021.

Résumé | Liens | BibTeX

J V Gomes; M C de Sousa; R L Viana; I L Caldas; Y Elskens

Low-dimensional chaos in the single wave model for self-consistent wave particle Hamiltonian Article de journal

Dans: Chaos: An Interdisciplinary Journal of Nonlinear Science, vol. 31, no. 8, p. 083104, 2021, ISSN: 1089-7682.

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Sudip Das; Marc Jaeger; Marc Leonetti; Rochish M Thaokar; Paul G Chen

Effect of pulse width on the dynamics of a deflated vesicle in unipolar and bipolar pulsed electric fields Article de journal

Dans: Physics of Fluids, vol. 33, no. 8, p. 081905, 2021, ISSN: 1089-7666.

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Elisa Buffa; Jerome Jacob; Pierre Sagaut

Lattice-Boltzmann-based large-eddy simulation of high-rise building aerodynamics with inlet turbulence reconstruction Article de journal

Dans: Journal of wind engineering and industrial aerodynamics, vol. 212, 2021, ISSN: 0167-6105.

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Katherine M Xiang; David M Nataf; E Athanassoula; Nadia L Zakamska; Kate Rowlands; Karen Masters; Amelia Fraser-McKelvie; Niv Drory; Katarina Kraljic

Buckling Bars in Nearly Face-on Galaxies Observed with MaNGA Article de journal

Dans: The Astrophysical Journal, vol. 909, no. 2, p. 125, 2021, ISSN: 1538-4357.

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Christophe Brouzet; Raphaël Guiné; Marie-Julie Dalbe; Benjamin Favier; Nicolas Vandenberghe; Emmanuel Villermaux; Gautier Verhille

Laboratory model for plastic fragmentation in the turbulent ocean Article de journal

Dans: Phys. Rev. Fluids, vol. 6, p. 024601, 2021.

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Jeroen P J Bruekers; Matthijs A Hellinghuizen; Nicolas Vanthuyne; Paul Tinnemans; Pieter J Gilissen; Wybren Jan Buma; Jean-Valère Naubron; Jeanne Crassous; Johannes A A W Elemans; Roeland J M Nolte

Front Cover: Allosteric Guest Binding in Chiral Zirconium(IV) Double Decker Porphyrin Cages (Eur. J. Org. Chem. 4/2021) Article de journal

Dans: European Journal of Organic Chemistry, vol. 2021, no. 4, p. 512-512, 2021.

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Shang-Gui Cai; Johan Degrigny; Jean-François Boussuge; Pierre Sagaut

Coupling of turbulence wall models and immersed boundaries on Cartesian grids Article de journal

Dans: Journal of Computational Physics, vol. 429, p. 109995, 2021, ISSN: 0021-9991.

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Philippe Maugis; Damien Connétable; Paul Eyméoud

Stability of Zener order in martensite: an atomistic evidence Article de journal

Dans: Scripta Materialia, vol. 194, p. 113632, 2021, ISSN: 1359-6462.

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M Tayyab; S Zhao; Pierre Boivin

Lattice-Boltzmann modeling of a turbulent bluff-body stabilized flame Article de journal

Dans: Physics of Fluids, vol. 33, no. 3, p. 031701, 2021.

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D Mandal; Y Elskens; X Leoncini; N Lemoine; F Doveil

Sticky islands in stochastic webs and anomalous chaotic cross-field particle transport by E×B electron drift instability Article de journal

Dans: Chaos, Solitons & Fractals, vol. 145, p. 110810, 2021, ISSN: 0960-0779.

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Nicolas Frangieh; Gilbert Accary; Jean-Louis Rossi; Dominique Morvan; Sofiane Meradji; Thierry Marcelli; François-Joseph Chatelon

Fuelbreak effectiveness against wind-driven and plume-dominated fires: A 3D numerical study Article de journal

Dans: Fire Safety Journal, vol. 124, p. 103383, 2021, ISSN: 0379-7112.

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Romain Pinguet; S Kanner; M Benoit; B Molin

Modeling the Dynamics of Freely-Floating Offshore Wind Turbine Subjected to Waves With an Open-Source Overset Mesh Method Manuel technique

2021.

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Pierre Boivin; M Tayyab; S Zhao

Benchmarking a lattice-Boltzmann solver for reactive flows: Is the method worth the effort for combustion? Article de journal

Dans: Physics of Fluids, vol. 33, no. 7, p. 071703, 2021.

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Paul Eyméoud; Fabienne Ribeiro; Rémy Besson; Guy Tréglia

How to take into account local concentration in Ising-based Monte-Carlo: illustration with zirconium hydrides Article de journal

Dans: Computational Materials Science, vol. 197, p. 110547, 2021, ISSN: 0927-0256.

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Mihael Petač; Julien Lavalle; Arturo Núñez-Castiñeyra; Emmanuel Nezri

Testing the predictions of axisymmetric distribution functions of galactic dark matter with hydrodynamical simulations Article de journal

Dans: JCAP, vol. 08, p. 031, 2021.

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M Bouffard; B Favier; D Lecoanet; M Le Bars

Internal gravity waves in a stratified layer atop a convecting liquid core in a non-rotating spherical shell Article de journal

Dans: Geophysical Journal International, vol. 228, no. 1, p. 337-354, 2021, ISSN: 0956-540X.

Résumé | Liens | BibTeX

Shang-Gui Cai; Pierre Sagaut

Explicit wall models for large eddy simulation Article de journal

Dans: Physics of Fluids, vol. 33, p. 041703, 2021.

Résumé | Liens | BibTeX

Weiliang Ma; Jing Tian; Pascal Boulet; Marie-Christine Record

First-Principle Investigations on the Electronic and Transport Properties of PbBi2Te2X2 (X = S/Se/Te) Monolayers Article de journal

Dans: Nanomaterials, vol. 11, p. 2979, 2021.

Liens | BibTeX

C Yang; Michel Mehrenberger

Highly accurate monotonicity-preserving Semi-Lagrangian scheme for Vlasov-Poisson Simulations Article de journal

Dans: Journal of Computational Physics, 2021.

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Damianos Agathangelou; Partha Pratim Roy; Maria del Carmen Marin; Nicolas Ferré; Massimo Olivucci; Tiago Buckup; J'er'emie L'eonard; Stefan Haacke

Sub-picosecond C=C bond photo-isomerization: evidence for the role of excited state mixing Article de journal

Dans: Comptes Rendus. Physique, vol. 22, p. 111–138, 2021.

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Abiola, Temitope T.; Rioux, Benjamin; Toldo, Josene M.; Alarcan, Jimmy; Woolley, Jack M.; Turner, Matthew A. P.; Coxon, Daniel J. L.; Telles do Casal, Mariana; Peyrot, Cédric; Mention, Matthieu M.; Buma, Wybren J.; Ashfold, Michael N. R.; Braeuning, Albert; Barbatti, Mario; Stavros, Vasilios G.; Allais, Florent

Towards developing novel and sustainable molecular light-to-heat converters Article de journal

Dans: Chem. Sci., vol. 12, p. 15239-15252, 2021.

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Pierre Magnico

Molecular dynamics study on water and hydroxide transfer mechanisms in PSU-g-alkyl-TMA membranes at low hydration: Effect of side chain length Article de journal

Dans: International Journal of Hydrogen Energy, vol. 46, no. 68, p. 33915-33933, 2021, ISSN: 0360-3199.

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Guochao Gao; Paul Cristini; Nathalie Favretto-Cristini; Carole Deumié

On the reflection of time-domain acoustic spherical waves by a sinusoidal diffraction grating Article de journal

Dans: Acta Acust., vol. 5, p. 6, 2021.

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Oleg Bessonov; Sofiane Meradji

Parallel modeling of wildfires using efficient solvers for ill-conditioned linear systems Article de journal

Dans: The Journal of Supercomputing, 2021.

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2020

A Gallo; A Sepetys; Y Marandet; H Bufferand; G Ciraolo; N Fedorczak; S Brezinsek; J Bucalossi; J Coenen; F Clairet; Y Corre; C Desgranges; P Devynck; J Gaspar; R Guirlet; J Gunn; C C Klepper; J -Y Pascal; P Tamain; E Tsitrone; E A Unterberg; WEST the team

Interpretative transport modeling of the WEST boundary plasma: main plasma and light impurities Article de journal

Dans: Nuclear Fusion, vol. 60, no. 12, p. 126048, 2020.

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Thomas Lacroix; Arturo Nunez-Castineyra; Martin Stref; Julien Lavalle; Emmanuel Nezri

Predicting the dark matter velocity distribution in galactic structures: tests against hydrodynamic cosmological simulations Article de journal

Dans: Journal of Cosmology and Astroparticle Physics, vol. 2020, no. 10, p. 031–031, 2020.

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Jing Wang; E Athanassoula; Si-Yue Yu; Christian Wolf; Li Shao; Hua Gao; T H Randriamampandry

Suppressed or Enhanced Central Star Formation Rates in Late-type Barred Galaxies Article de journal

Dans: The Astrophysical Journal, vol. 893, no. 1, p. 19, 2020, ISSN: 1538-4357.

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Paul G Chen; J M Lyu; M Jaeger; M Leonetti

Shape transition and hydrodynamics of vesicles in tube flow Article de journal

Dans: Phys. Rev. Fluids, vol. 5, p. 043602, 2020.

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Daphné Lemasquerier; Giulio Facchini; Benjamin Favier ; Michael Le Bars

Remote determination of the shape of Jupiter’s vortices from laboratory experiments Article de journal

Dans: Nature Physics, 2020.

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P Léard; B Favier; P Le Gal; M Le Bars

Coupled convection and internal gravity waves excited in water around its density maximum at 4°C Article de journal

Dans: Phys. Rev. Fluids, vol. 5, p. 024801, 2020.

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F Nespoli; P Tamain; N Fedorczak; D Galassi; Y Marandet

A new mechanism for filament disconnection at the X-point: poloidal shear in radial E texttimes B velocity Article de journal

Dans: Nuclear Fusion, vol. 60, no. 4, p. 046002, 2020.

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Joackim Bernier; Michel Mehrenberger

LONG-TIME BEHAVIOR OF SECOND ORDER LINEARIZED VLASOV-POISSON EQUATIONS NEAR A HOMOGENEOUS EQUILIBRIUM Article de journal

Dans: KINETIC AND RELATED MODELS, vol. 13, no. 1, p. 129-168, 2020, ISSN: 1937-5093.

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Patrick Maget; Judith Frank; Timothee Nicolas; Olivier Agullo; Xavier Garbet; Hinrich Lutjens

Natural poloidal asymmetry and neoclassical transport of impurities in tokamak plasmas Article de journal

Dans: PLASMA PHYSICS AND CONTROLLED FUSION, vol. 62, no. 2, 2020, ISSN: 0741-3335.

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Maria‐Andrea Mroginski; Suliman Adam; Gil Amoyal; Avishai Barnoy; Ana‐Nicoleta Bondar; Veniamin Borin; Jonathan Church; Tatiana Domratcheva; Bernd Ensing; Francesca Fanelli; Nicolas Ferré; Ofer Filiba; Laura Pedraza-González; Ronald González; Cristina González‐Espinoza; Rajiv Kar; Lukas Kemmler; Seung Kim; Jacob Kongsted; Igor Schapiro

Frontiers in Multiscale Modeling of Photoreceptor Proteins Article de journal

Dans: Photochemistry and Photobiology, 2020.

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Kankoé Sallah; Roch Giorgi; El-Hadj Ba; Martine Piarroux; Renaud Piarroux; Badara Cissé; Jean Gaudart

Targeting Malaria Hotspots to Reduce Transmission Incidence in Senegal Article de journal

Dans: International Journal of Environmental Research and Public Health, vol. 18, p. 76, 2020.

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Yasaman Karami; Paul Saighi; Rémy Vanderhaegen; Denis Gerlier; Sonia Longhi; Elodie Laine; Alessandra Carbone

Predicting substitutions to modulate disorder and stability in coiled-coils Article de journal

Dans: BMC Bioinformatics, vol. 21, 2020.

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P Boulet; Marie-Christine Record

Theoretical Investigations of the BaRh2Ge4X6 (X = S, Se, Te) Compounds Article de journal

Dans: Energies, vol. 13, p. 6434, 2020.

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Shao-Long Guo; Yong-Liang Feng; Pierre Sagaut

Improved standard thermal lattice Boltzmann model with hybrid recursive regularization for compressible laminar and turbulent flows Article de journal

Dans: Physics of Fluids, vol. 32, 2020.

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Amédée Renand; Iñaki Cervera-Marzal; Laurine Gil; Chuang Dong; Alexandra Garcia; Erwan Kervagoret; Hélène Aublé; Sarah Habes; Caroline Chevalier; Fabienne Vavasseur; Béatrice Clémenceau; Anaïs Cardon; Jean-Paul Judor; Jean-François Mosnier; Florence Tanné; David-Axel Laplaud; Sophie Brouard; Jérôme Gournay; Pierre Milpied; Sophie Conchon

Integrative molecular profiling of autoreactive CD4 T cells in autoimmune hepatitis Article de journal

Dans: Journal of Hepatology, 2020.

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Léa Pousse-Beltran; Anne Socquet; Lucilla Benedetti; Marie-Pierre Doin; Magali Rizza; Nicola D'Agostino

Localized Afterslip at Geometrical Complexities Revealed by InSAR After the 2016 Central Italy Seismic Sequence Article de journal

Dans: Journal of Geophysical Research: Solid Earth, vol. 125, no. 11, p. e2019JB019065, 2020, (e2019JB019065 2019JB019065).

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Hailong Yang; Pascal Boulet; Marie-Christine Record

Thermoelectric Properties of Sb-S System Compounds from DFT Calculations Article de journal

Dans: Materials, vol. 13, no. 21, p. 4707, 2020.

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Victor Boutin; Angelo Franciosini; Franck Ruffier; Laurent Perrinet

Effect of Top-Down Connections in Hierarchical Sparse Coding Article de journal

Dans: Neural Computation, vol. 32, no. 11, p. 2279-2309, 2020, (PMID: 32946716).

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Robert Darlin Mba; Juste Aristide Goungounga; Nathalie Graffeo; Roch Giorgi

Correcting inaccurate background mortality in excess hazard models through breakpoints Article de journal

Dans: BMC Medical Research Methodology, vol. 20, no. 1, p. 268, 2020.

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Kai Zhang; Aymeric Lamorlette

An extensive numerical study of the burning dynamics of wildland fuel using proposed configuration space Article de journal

Dans: International Journal of Heat and Mass Transfer, vol. 160, p. 120174, 2020, ISSN: 0017-9310.

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S Guo; Y Feng; J Jacob; F Renard; P Sagaut

An efficient lattice Boltzmann method for compressible aerodynamics on D3Q19 lattice Article de journal

Dans: Journal of Computational Physics, vol. 418, p. 109570, 2020, ISSN: 0021-9991.

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Fábris Kossoski; Mario Barbatti

Nonadiabatic dynamics in multidimensional complex potential energy surfaces Article de journal

Dans: Chem. Sci., vol. 11, p. 9827-9835, 2020.

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Jiangkun Ouyang; Anne Swartjes; Marc Geerts; Pieter J Gilissen; D Wang; Paula C P Teeuwen; paul Tinnemans; Nicolas Vanthuyne; Sara Chentouf; Floris P J T Rutjes; J -V Naubron; Jeanne Crassous; Johannes A A W Elemans; R Nolte

Absolute configuration and host-guest binding of chiral porphyrin-cages by a combined chiroptical and theoretical approach Article de journal

Dans: Nature Communications, vol. 11, no. 1, p. 4776, 2020.

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G Giorgiani; H Bufferand; F Schwander; E Serre; P Tamain

A high-order non field-aligned approach for the discretization of strongly anisotropic diffusion operators in magnetic fusion Article de journal

Dans: Computer Physics Communications, vol. 254, p. 107375, 2020, ISSN: 0010-4655.

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G Giorgiani; H Bufferand; F Schwander; E Serre; P Tamain

A high-order non field-aligned approach for the discretization of strongly anisotropic diffusion operators in magnetic fusion Article de journal

Dans: Computer Physics Communications, vol. 254, p. 107375, 2020, ISSN: 0010-4655.

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Xi Deng; Pierre Boivin

Diffuse interface modelling of reactive multi-phase flows applied to a sub-critical cryogenic jet Article de journal

Dans: Applied Mathematical Modelling, vol. 84, p. 405-424, 2020, ISSN: 0307-904X.

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Marcel Krug; Maximilian Wagner; Tobias A Schaub; Wen-Shan Zhang; Christoph M Schüßlbauer; Johannes D R Ascherl; Peter W Münich; Rasmus R Schröder; Franziska Gröhn; Pavlo O Dral; Mario Barbatti; Dirk M Guldi; Milan Kivala

The Impact of Aggregation on the Photophysics of Spiro-Bridged Heterotriangulenes Article de journal

Dans: Angewandte Chemie International Edition, vol. 59, no. 37, p. 16233-16240, 2020.

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Katsunori Mizuno; Paul Cristini; Dimitri Komatitsch; Yann Capdeville

Numerical and Experimental Study of Wave Propagation in Water-Saturated Granular Media Using Effective Method Theories and a Full-Wave Numerical Simulation Article de journal

Dans: IEEE Journal of Oceanic Engineering, vol. 45, no. 3, p. 772 - 785, 2020.

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Y Feng; S Guo; J Jacob; P Sagaut

Grid refinement in the three-dimensional hybrid recursive regularized lattice Boltzmann method for compressible aerodynamics Article de journal

Dans: Physical Review E , vol. 101, no. 6, p. 063302, 2020.

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Hailong Yang; Pascal Boulet; Marie-Christine Record

New insight into the structure-property relationships from chemical bonding analysis: Application to thermoelectric materials Article de journal

Dans: Journal of Solid State Chemistry, vol. 286, p. 121266, 2020, ISSN: 0022-4596.

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Hailong Yang; Pascal Boulet; Marie-Christine Record

A rapid method for analyzing the chemical bond from energy densities calculations at the bond critical point Article de journal

Dans: Computational and Theoretical Chemistry, vol. 1178, p. 112784, 2020, ISSN: 2210-271X.

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T Cartier-Michaud; D Galassi; Ph Ghendrih; P Tamain; F Schwander; E Serre

A posteriori error estimate in fluid simulations of turbulent edge plasmas for magnetic fusion in tokamak using the data mining iPoPe method Article de journal

Dans: Physics of Plasmas, 2020.

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Farhan Siddique; Mario Barbatti; Zhonghua Cui; Hans Lischka; Adélia Aquino

Nonadiabatic Dynamics of Charge-Transfer States Using the Anthracene-Tetracyanoethylene Complex as Prototype Article de journal

Dans: Journal of Physical Chemistry A, vol. 124, no. 17, p. 3347-3357, 2020.

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Shuming Bai; Ritam Mansour; Ljiljana Stojanovi'c; Josene Toldo; Mario Barbatti

On the Origin of the Shift Between Vertical Excitation and Band Maximum in Molecular Photoabsorption Article de journal

Dans: Journal of Molecular Modeling, vol. 26, no. 5, 2020.

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Pingping Jiang; Marie-Christine Record; Pascal Boulet

First-principles calculations on CuInSe2/AlP heterostructures Article de journal

Dans: J. Mater. Chem. C, vol. 8, p. 4732-4742, 2020.

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Hans Lischka; Ron Shepard; Thomas Mueller; Péter Szalay; Russell Pitzer; Adélia Aquino; Mayzza Nascimento; Mario Barbatti; Lachlan Belcher; Jean Blaudeau; Itamar Jr; Scott Brozell; Emily Carter; Anita Das; Gergely Gidofalvi; Leticia González; William Hase; Gary Kedziora; Miklos Kertesz; Zhiyong Zhang

The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry Article de journal

Dans: The Journal of Chemical Physics, vol. 152, p. 134110, 2020.

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Zeyd Benseghier; Pablo Cuéllar; Li-Hua Luu; Stéphane Bonelli; Pierre Philippe

A parallel GPU-based computational framework for the micromechanical analysis of geotechnical and erosion problems Article de journal

Dans: Computers and Geotechnics, vol. 120, p. 103404, 2020, ISSN: 0266-352X.

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Hung Truong; Thomas Engels; Dmitry Kolomenskiy; Kai Schneider

A mass-spring fluid-structure interaction solver: Application to flexible revolving wings Article de journal

Dans: Computers & Fluids, vol. 200, p. 104426, 2020, ISSN: 0045-7930.

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Thomas Engels; Henja-Niniane Wehmann; Fritz-Olaf Lehmann

Three-dimensional wing structure attenuates aerodynamic efficiency in flapping fly wings Article de journal

Dans: Journal of The Royal Society Interface, vol. 17, p. 20190804, 2020.

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Noudjoud Attaf; Iñaki Cervera-Marzal; Chuang Dong; Laurine Gil; Amédée Renand; Lionel Spinelli; Pierre Milpied

Corrigendum: FB5P-seq: FACS-Based 5-Prime End Single-Cell RNA-seq for Integrative Analysis of Transcriptome and Antigen Receptor Repertoire in B and T Cells Article de journal

Dans: Frontiers in Immunology, vol. 11, p. 2047, 2020.

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Kai Zhang; Salman Verma; Arnaud Trouvé; Aymeric Lamorlette

A study of the canopy effect on fire regime transition using an objectively defined Byram convective number Article de journal

Dans: Fire Safety Journal, vol. 112, p. 102950, 2020, ISSN: 0379-7112.

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Bjørn Ursin; Nathalie Favretto-Cristini; Paul Cristini

Amplitude and phase changes for reflected and transmitted waves from a curved interface in anisotropic media Article de journal

Dans: Geophysical Journal International, vol. 224, no. 1, p. 719-737, 2020, ISSN: 0956-540X.

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Stéphane Ayache; Ronan Sicre; Thierry Arti`eres

Transfer Learning by Weighting Convolution Inproceedings

Dans: International Joint Conference on Neural Networks (IJCNN), Glasgow, United Kingdom, 2020.

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Akrem Sellami; François-Xavier Dupé; Bastien Cagna; Hachem Kadri; Stéphane Ayache; Thierry Artières; Sylvain Takerkart

Mapping individual differences in cortical architecture using multi-view representation learning Divers

2020.

Résumé | Liens | BibTeX

Benjamin Kadoch; Wouter Bos; Kai Schneider

Efficiency of laminar and turbulent mixing in wall-bounded flows Article de journal

Dans: Physical Review E, vol. 101, 2020.

Résumé | Liens | BibTeX

Benjamin Favier; Edgar Knobloch

Robust wall states in rapidly rotating Rayleigh–Bénard convection Article de journal

Dans: Journal of Fluid Mechanics, vol. 895, p. R1, 2020.

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Karno Schwinn; Nicolas Ferré; Miquel Huix-Rotllant

UV-visible absorption spectrum of FAD and its reduced forms embedded in a cryptochrome protein Article de journal

Dans: Phys. Chem. Chem. Phys., vol. 22, p. 12447-12455, 2020.

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Karno Schwinn; Nicolas Ferré; Miquel Huix-Rotllant

Efficient Analytic Second Derivative of Electrostatic Embedding QM/MM Energy: Normal Mode Analysis of Plant Cryptochrome Article de journal

Dans: Journal of Chemical Theory and Computation, vol. 16, no. 6, p. 3816-3824, 2020.

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Y Wang; E Athanassoula; S Mao

Basis function expansions for galactic dynamics: Spherical versus cylindrical coordinates Article de journal

Dans: A&A, vol. 639, p. A38, 2020.

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Paul Eyméoud; Philippe Maugis

Magnetic behavior of transition metal solutes in α-iron: A classification Article de journal

Dans: Journal of Magnetism and Magnetic Materials, vol. 513, p. 167223, 2020, ISSN: 0304-8853.

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2019

Nuno Manuel Almeida de Barbosa; Madjid Zemmouche; Pauline Gosset; Cristina Garcia-Iriepa; Vincent Ledentu; Isabelle Navizet; Pascal Didier; Nicolas Ferre

pH-Dependent Absorption Spectrum of Oxyluciferin Analogues in the Presence of Adenosine Monophosphate Article de journal

Dans: CHEMPHOTOCHEM, 2019, ISSN: 2367-0932.

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Marianthi Karageorgi; Simon C Groen; Fidan Sumbul; Julianne N Pelaez; Kirsten I Verster; Jessica M Aguilar; Amy P Hastings; Susan L Bernstein; Teruyuki Matsunaga; Michael Astourian; Geno Guerra; Felix Rico; Susanne Dobler; Anurag A Agrawal; Noah K Whiteman

Genome editing retraces the evolution of toxin resistance in the monarch butterfly Article de journal

Dans: NATURE, vol. 574, no. 7778, p. 409+, 2019, ISSN: 0028-0836.

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Flavio Ronetti; Luca Vannucci; Dario Ferraro; Thibaut Jonckheere; Jér^ome Rech; Thierry Martin; Maura Sassetti

Hong-Ou-Mandel heat noise in the quantum Hall regime Article de journal

Dans: Phys. Rev. B, vol. 99, p. 205406, 2019.

Liens | BibTeX

Pingping Jiang; Pascal Boulet; Marie-Christine Record

A DFT study of the electronic, optical and topological properties of free and biaxially strained CuIn1-xAlxSe2 Article de journal

Dans: JOURNAL OF MATERIALS CHEMISTRY C, vol. 7, no. 19, p. 5803-5815, 2019, ISSN: 2050-7526.

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S Baschetti; H Bufferand; G Ciraolo; N Fedorczak; P Ghendrih; P Tamain; E Serre; EUROfusion MST1 Team; TCV Team

A kappa - epsilon model for plasma anomalous transport in tokamaks: closure via the scaling of the global confinement Article de journal

Dans: NUCLEAR MATERIALS AND ENERGY, vol. 19, p. 200-204, 2019.

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J Denis; J Bucalossi; G Ciraolo; E A Hodille; B Pegourie; H Bufferand; C Grisolia; T Loarer; Y Marandet; E Serre; JET Contributors

Dynamic modelling of local fuel inventory and desorption in the whole tokamak vacuum vessel for auto-consistent plasma-wall interaction simulations Article de journal

Dans: NUCLEAR MATERIALS AND ENERGY, vol. 19, p. 550-557, 2019.

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G Giorgiani; H Bufferand; G Ciraolo; E Serre; P Tamain

A magnetic-field independent approach for strongly anisotropic equations arising plasma-edge transport simulations Article de journal

Dans: NUCLEAR MATERIALS AND ENERGY, vol. 19, p. 340-345, 2019.

Résumé | Liens | BibTeX

B Favier; J Purseed; L Duchemin

Rayleigh–Bénard convection with a melting boundary Article de journal

Dans: Journal of Fluid Mechanics, vol. 858, p. 437–473, 2019.

Liens | BibTeX

Hassan Denawi; Mathieu Abel; Roland Hayn

Magnetic Polymer Chains of Transition Metal Atoms and Zwitterionic Quinone Article de journal

Dans: The Journal of Physical Chemistry C, vol. 123, no. 7, p. 4582-4589, 2019.

Liens | BibTeX

M Valentinuzzi; Y Marandet; H Bufferand; G Ciraolo; P Tamain

Two-phases hybrid model for neutrals Article de journal

Dans: Nuclear Materials and Energy, vol. 18, p. 41 - 45, 2019, ISSN: 2352-1791.

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D M Fan; Y Marandet; P Tamain; H Bufferand; G Ciraolo; Ph. Ghendrih; E Serre

Effect of turbulent fluctuations on neutral particles transport with the TOKAM3X-EIRENE turbulence code Article de journal

Dans: Nuclear Materials and Energy, vol. 18, p. 105 - 110, 2019, ISSN: 2352-1791.

Résumé | Liens | BibTeX

F Nespoli; H Bufferand; M Valentinuzzi; N Fedorczak; G Ciraolo; E Serre; Y Marandet; R Maurizio; De H Oliveira; B Labit; M Komm; M Faitsch; S Elmore

Application of a two-fluid two-point model to SolEdge2D-EIRENE simulations of TCV H-mode plasma Article de journal

Dans: Nuclear Materials and Energy, vol. 18, p. 29 - 34, 2019, ISSN: 2352-1791.

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H Bufferand; P Tamain; S Baschetti; J Bucalossi; G Ciraolo; N Fedorczak; Ph. Ghendrih; F Nespoli; F Schwander; E Serre; Y Marandet

Three-dimensional modelling of edge multi-component plasma taking into account realistic wall geometry Article de journal

Dans: Nuclear Materials and Energy, vol. 18, p. 82 - 86, 2019, ISSN: 2352-1791.

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Cédric Maury; Teresa Bravo; Daniel Mazzoni

The use of microperforations to attenuate the cavity pressure fluctuations induced by a low-speed flow Article de journal

Dans: Journal of Sound and Vibration, vol. 439, p. 1 - 16, 2019, ISSN: 0022-460X.

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Christine D Wilson; Laura C Parker; Ryan Chown; Niu Li; Cheng Li; Houjun Mo; E Athanassoula; Lin Lin; Ting Xiao

Linking bar- and interaction-driven molecular gas concentration with centrally enhanced star formation in EDGE–CALIFA galaxies Article de journal

Dans: Monthly Notices of the Royal Astronomical Society, vol. 484, no. 4, p. 5192-5211, 2019, ISSN: 0035-8711.

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Ran Liu; Xing Gao; Mario Barbatti; Jun Jiang; Guozhen Zhang

Promoting Intersystem Crossing of a Fluorescent Molecule via Single Functional Group Modification Article de journal

Dans: The Journal of Physical Chemistry Letters, vol. 10, no. 6, p. 1388-1393, 2019.

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Gessenildo Pereira Rodrigues; Thayana Maria Lopes de Lima; Railton Barbosa de Andrade; Elizete Ventura; Silmar Andrade do Monte; Mario Barbatti

Photoinduced Formation of H-Bonded Ion Pair in HCFC-133a Article de journal

Dans: The Journal of Physical Chemistry A, vol. 123, no. 10, p. 1953-1961, 2019, (PMID: 30786711).

Résumé | Liens | BibTeX

Shuming Bai; Mario Barbatti

Mechanism of Spin-Exchange Internal Conversion: Practical Proxies for Diabatic and Nonadiabatic Couplings Article de journal

Dans: Journal of Chemical Theory and Computation, vol. 15, no. 3, p. 1503-1513, 2019, (PMID: 30735372).

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Pierre Thureau; Simone Sturniolo; Miri Zilka; Fabio Ziarelli; Stéphane Viel; Jonathan R Yates; Giulia Mollica

Reducing the computational cost of NMR crystallography of organic powders at natural isotopic abundance with the help of 13C-13C dipolar couplings Article de journal

Dans: Magnetic Resonance in Chemistry, vol. 57, no. 5, p. 256-264, 2019.

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2018

Je K š; Y Marandet; H Bufferand; J P Gunn; H J van der Meiden; G Ciraolo

Studying divertor relevant plasmas in the Pilot-PSI linear plasma device: experiments versus modelling Article de journal

Dans: Plasma Physics and Controlled Fusion, vol. 60, no. 12, p. 125009, 2018.

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Falahati Konstantin; Tamura Hiroyuki; Burghardt Irene; Huix-Rotllant Miquel

Ultrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamics Ouvrage

2018.

Résumé | Liens | BibTeX

Xiaoliang He; Sourabh Apte; Kai Schneider; Benjamin Kadoch

Angular multiscale statistics of turbulence in a porous bed Article de journal

Dans: Phys. Rev. Fluids, vol. 3, p. 084501, 2018.

Liens | BibTeX

S Cabanes; B Favier; M Le Bars

Some statistical properties of three-dimensional zonostrophic turbulence Article de journal

Dans: Geophysical and Astrophysical Fluid Dynamics, vol. 112, no. 3, p. 207-221, 2018.

Liens | BibTeX

Sandeep K Reddy; Benjamin Favier; Michael Le Bars

Turbulent Kinematic Dynamos in Ellipsoids Driven by Mechanical Forcing Article de journal

Dans: Geophysical Research Letters, vol. 45, no. 4, p. 1741-1750, 2018.

Résumé | Liens | BibTeX

Thomas Le Reun; Benjamin Favier; Michael Le Bars

Parametric instability and wave turbulence driven by tidal excitation of internal waves Article de journal

Dans: Journal of Fluid Mechanics, vol. 840, p. 498–529, 2018.

Liens | BibTeX

Yongliang Feng; Muhammad Tayyab; Pierre Boivin

A Lattice-Boltzmann model for low-Mach reactive flows Article de journal

Dans: Combustion and Flame, vol. 196, p. 249 - 254, 2018, ISSN: 0010-2180.

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Elisa Pieri; Vincent Ledentu; Miquel Huix-Rotllant; Nicolas Ferré

Sampling the protonation states: the pH-dependent UV absorption spectrum of a polypeptide dyad Article de journal

Dans: Phys. Chem. Chem. Phys., vol. 20, p. 23252-23261, 2018.

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Cristina García-Iriepa; Pauline Gosset; Romain Berraud-Pache; Madjid Zemmouche; Grégory Taupier; Kokou Dodzi Dorkenoo; Pascal Didier; Jérémie Léonard; Nicolas Ferré; Isabelle Navizet

Simulation and Analysis of the Spectroscopic Properties of Oxyluciferin and Its Analogues in Water Article de journal

Dans: Journal of Chemical Theory and Computation, vol. 14, no. 4, p. 2117-2126, 2018, (PMID: 29509419).

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Grégoire David; Frank Wennmohs; Frank Neese; Nicolas Ferré

Chemical Tuning of Magnetic Exchange Couplings Using Broken-Symmetry Density Functional Theory Article de journal

Dans: Inorganic Chemistry, vol. 57, no. 20, p. 12769-12776, 2018.

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Transport and Mixing Induced by Beating Cilia in Human Airways Article de journal

Dans: Frontiers in Physiology, vol. 9, p. 161, 2018, ISSN: 1664-042X.

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Nicolas Cavassilas; Demetrio Logoteta; Youseung Lee; Fabienne Michelini; Michel Lannoo; Marc Bescond; Mathieu Luisier

Dual-Gated WTe2/MoSe2 van der Waals Tandem Solar Cells Article de journal

Dans: The Journal of Physical Chemistry C, vol. 122, no. 50, p. 28545-28549, 2018.

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Alexis Bottero; Paul Cristini; Dimitri Komatitsch; Quentin Brissaud

Broadband transmission losses and time dispersion maps from time-domain numerical simulations in ocean acoustics Article de journal

Dans: Journal of the Acoustical Society of America, vol. 144, no. 3, p. EL222 - EL228, 2018.

Liens | BibTeX

M L M Rocco; M Häming; C E V de Moura; M Barbatti; A B Rocha; A Schöll; E Umbach

High-Resolution Near-Edge X-ray Absorption Fine Structure Study of Condensed Polyacenes Article de journal

Dans: The Journal of Physical Chemistry C, vol. 122, no. 50, p. 28692-28701, 2018.

Résumé | Liens | BibTeX

Deniz Tuna; Lasse Spörkel; Mario Barbatti; Walter Thiel

Nonadiabatic dynamics simulations of photoexcited urocanic acid Article de journal

Dans: Chemical Physics, vol. 515, p. 521 - 534, 2018, ISSN: 0301-0104, (Ultrafast Photoinduced Processes in Polyatomic Molecules:Electronic Structure, Dynamics and Spectroscopy (Dedicated to Wolfgang Domcke on the occasion of his 70th birthday)).

Résumé | Liens | BibTeX

Pavlo O Dral; Mario Barbatti; Walter Thiel

Nonadiabatic Excited-State Dynamics with Machine Learning Article de journal

Dans: The Journal of Physical Chemistry Letters, vol. 9, no. 19, p. 5660-5663, 2018, (PMID: 30200766).

Résumé | Liens | BibTeX

A Mohamadzade; S Bai; M Barbatti; S Ullrich

Intersystem crossing dynamics in singly substituted thiouracil studied by time-resolved photoelectron spectroscopy: Micro-environmental effects due to sulfur position Article de journal

Dans: Chemical Physics, vol. 515, p. 572-579, 2018.

Liens | BibTeX

Vanessa C de Medeiros; Railton B de Andrade; Gessenildo P. Rodrigues; Glauco F Bauerfeldt; Elizete Ventura; Mario Barbatti; Silmar A do Monte

Photochemistry of CF3Cl: Quenching of Charged Fragments Is Caused by Nonadiabatic Effects Article de journal

Dans: Journal of Chemical Theory and Computation, vol. 14, no. 9, p. 4844-4855, 2018, (PMID: 30080978).

Résumé | Liens | BibTeX

Li-li Jiang; Dan Luo; Xiong Lu; Qin-yong Zhang; Fang-gong Cai; Jun Chen

Comparative Study on Chemical Reduction of Free-standing Flexible GO Films and Their Cyclic Voltammetry Performance Article de journal

Dans: Colloids and Surfaces A: Physicochemical and Engineering Aspects, vol. 555, 2018.

Liens | BibTeX

Hans Lischka; Dana Nachtigallová; Adélia J A Aquino; Péter G Szalay; Felix Plasser; Francisco B C Machado; Mario Barbatti

Multireference Approaches for Excited States of Molecules Article de journal

Dans: Chemical Reviews, vol. 118, no. 15, p. 7293-7361, 2018, (PMID: 30040389).

Résumé | Liens | BibTeX

Shuming Bai; Mario Barbatti

Mechanism of enhanced triplet decay of thionucleobase by glycosylation and rate-modulating strategies Article de journal

Dans: Phys. Chem. Chem. Phys., vol. 20, p. 16428-16436, 2018.

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Fábris Kossoski; Mario Barbatti

Nuclear Ensemble Approach with Importance Sampling Article de journal

Dans: Journal of Chemical Theory and Computation, vol. 14, no. 6, p. 3173-3183, 2018, (PMID: 29694040).

Résumé | Liens | BibTeX

Rachel Crespo-Otero; Mario Barbatti

Recent Advances and Perspectives on Nonadiabatic Mixed Quantum–Classical Dynamics Article de journal

Dans: Chemical Reviews, vol. 118, no. 15, p. 7026-7068, 2018, (PMID: 29767966).

Résumé | Liens | BibTeX

M L M Rocco; M Häming; C E V de Moura; M Barbatti; A B Rocha; A Schöll; E Umbach

High-Resolution Near-Edge X-ray Absorption Fine Structure Study of Condensed Polyacenes Article de journal

Dans: The Journal of Physical Chemistry C, vol. 122, no. 50, p. 28692-28701, 2018.

Résumé | Liens | BibTeX

Hans Lischka; Mario Barbatti; Farhan Siddique; Anita Das; Adelia J A Aquino

The effect of hydrogen bonding on the nonadiabatic dynamics of a thymine-water cluster Article de journal

Dans: Chemical Physics, vol. 515, p. 472 - 479, 2018, ISSN: 0301-0104, (Ultrafast Photoinduced Processes in Polyatomic Molecules:Electronic Structure, Dynamics and Spectroscopy (Dedicated to Wolfgang Domcke on the occasion of his 70th birthday)).

Résumé | Liens | BibTeX

Konstantin Falahati; Carsten Hamerla; Miquel Huix-Rotllant; Irene Burghardt

Ultrafast photochemistry of free-base porphyrin: a theoretical investigation of B → Q internal conversion mediated by dark states Article de journal

Dans: Phys. Chem. Chem. Phys., vol. 20, p. 12483-12492, 2018.

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Nicolas Frangieh; Dominique Morvan; Sofiane Meradji; G ACCARY; O Bessonov

Numerical simulation of grassland fires behavior using an implicit physical multiphase model Article de journal

Dans: Fire Safety Journal, vol. 102, p. 37-47, 2018.

Liens | BibTeX

Dominique Morvan; Gilbert Accary; Sofiane Meradji; Nicolas Frangieh; Oleg BESSONOV

A 3D physical model to study the behavior of vegetation fires at laboratory scale Article de journal

Dans: Fire Safety Journal, vol. 101, p. 39-52, 2018.

Liens | BibTeX

Dmytro Kandaskalov; Philippe Maugis

Thermodynamic stabilities in the Fe-Fe16C2 system: Influence of carbon-carbon interactions studied by DFT Article de journal

Dans: Computational Materials Science, vol. 150, p. 524 - 534, 2018, ISSN: 0927-0256.

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2017

A Pivano; V O Dolocan

Systematic motion of magnetic domain walls in notched nanowires under ultrashort current pulses Article de journal

Dans: Phys. Rev. B, vol. 96, p. 224431, 2017.

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L -A Couston; D Lecoanet; B Favier; M Le Bars

Dynamics of mixed convectivechar21stably-stratified fluids Article de journal

Dans: Phys. Rev. Fluids, vol. 2, p. 094804, 2017.

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Thomas Le Reun; Benjamin Favier; Adrian J Barker; Michael Le Bars

Inertial Wave Turbulence Driven by Elliptical Instability Article de journal

Dans: Phys. Rev. Lett., vol. 119, p. 034502, 2017.

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Minh Chien Nguyen; Marc Medale; Olivier Asserin; Stephane Gounand; Philippe Gilles

Sensitivity to welding positions and parameters in GTA welding with a 3D multiphysics numerical model Article de journal

Dans: Numerical Heat Transfer, Part A: Applications, vol. 0, no. 0, p. 1-17, 2017.

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Simon Cabanes, Jonathan Aurnou, Benjamin Favier & Michael Le Bars

A laboratory model for deep-seated jets on the gas giants Article de journal

Dans: Nature Physics, 2017.

Résumé | Liens | BibTeX

P. Tamain; C. Colin; L. Colas; C. Baudoin; G. Ciraolo; R. Futtersack; D. Galassi; Ph Ghendrih; N. Nace; F. Schwander; E. Serre

Numerical analysis of the impact of an RF sheath on the Scrape-Off Layer in 2D and 3D turbulence simulations Article de journal

Dans: Nuclear Materials and Energy, p. -, 2017, ISSN: 2352-1791.

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H. Bufferand; C. Baudoin; J. Bucalossi; G. Ciraolo; J. Denis; N. Fedorczak; D. Galassi; Ph. Ghendrih; R. Leybros; Y. Marandet; N. Mellet; J. Morales; N. Nace; E. Serre; P. Tamain; M. Valentinuzzi

Implementation of drift velocities and currents in SOLEDGE2D–EIRENE Article de journal

Dans: Nuclear Materials and Energy, p. -, 2017, ISSN: 2352-1791.

Résumé | Liens | BibTeX

G. Ciraolo; H. Bufferand; J. Bucalossi; Ph. Ghendrih; P. Tamain; Y. Marandet; M. Valentinuzzi; J. Denis; N. Fedorczak; E. Hodille; N. Mellet; B. Pegourie; C. Grisolia; C. Bourdelle; E. Tsitrone; D. Galassi; R. Leybros; G. Giorgiani; E. Serre

H-mode WEST tungsten divertor operation: deuterium and nitrogen seeded simulations with SOLEDGE2D-EIRENE Article de journal

Dans: Nuclear Materials and Energy, p. -, 2017, ISSN: 2352-1791.

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Athanassoula, E.; Rodionov, S. A.; Prantzos, N.

Metallicity-dependent kinematics and morphology of the Milky Way bulge Article de journal

Dans: Monthly Notices of the Royal Astronomical Society: Letters, vol. 467, no. 1, p. L46, 2017.

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Gao, Xing; Bai, Shuming; Fazzi, Daniele; Niehaus, Thomas; Barbatti, Mario; Thiel, Walter

Evaluation of Spin-Orbit Couplings with Linear-Response Time-Dependent Density Functional Methods Article de journal

Dans: Journal of Chemical Theory and Computation, vol. 13, no. 2, p. 515-524, 2017, (PMID: 27959528).

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Dmytro Kandaskalov; Philippe Maugis

A first-principle study of the structural, elastic, lattice dynamical and thermodynamic properties of and phases Article de journal

Dans: Computational Materials Science, vol. 128, p. 278 - 286, 2017, ISSN: 0927-0256.

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Bilel Sanhaji

Testing for Nonlinearity in Conditional Covariances Article de journal

Dans: 2017, ISSN: 21946507.

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E Constant; J Favier; M Meldi; P Meliga; E Serre

An immersed boundary method in OpenFOAM : Verification and validation Article de journal

Dans: Computers & Fluids, vol. 157, p. 55 - 72, 2017, ISSN: 0045-7930.

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P Manas; Y Camenen; S Benkadda; H Weisen; C Angioni; F J Casson; C Giroud; M Gelfusa; M Maslov

Gyrokinetic modeling of impurity peaking in JET H-mode plasmas Article de journal

Dans: Physics Of Plasmas, vol. 24, no. 6, p. 12. 062511, 2017.

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P Migliano; D Zarzoso; F J Artola; Y Camenen; X Garbet

An improved approximation for the analytical treatment of the local linear gyro-kinetic plasma dispersion relation in toroidal geometry Article de journal

Dans: Plasma Physics and Controlled Fusion, vol. 59, no. 9, p. 095004, 2017.

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M Muraglia; O Agullo; A Poyé; S Benkadda; N Dubuit; X Garbet; A Sen

Amplification of a turbulence driven seed magnetic island by bootstrap current Article de journal

Dans: Nuclear Fusion, vol. 57, no. 7, p. 072010, 2017.

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O Agullo; M Muraglia; S Benkadda; A Poyé; N Dubuit; X Garbet; A Sen

Nonlinear dynamics of turbulence driven magnetic islands. II. Numerical simulations Article de journal

Dans: Physics of Plasmas, vol. 24, no. 4, p. 042309, 2017.

Liens | BibTeX

O Agullo; M Muraglia; S Benkadda; A Poyé; N Dubuit; X Garbet; A Sen

Nonlinear dynamics of turbulence driven magnetic islands. I. Theoretical aspects Article de journal

Dans: Physics of Plasmas, vol. 24, no. 4, p. 042308, 2017.

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Michael Stenrup; Elisa Pieri; Vincent Ledentu; Nicolas Ferre

pH-Dependent absorption spectrum of a protein: a minimal electrostatic model of Anabaena sensory rhodopsin Article de journal

Dans: Phys. Chem. Chem. Phys., vol. 19, p. 14073-14084, 2017.

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A M Grannan; B Favier; M Le Bars; J M Aurnou

Tidally forced turbulence in planetary interiors Article de journal

Dans: Geophysical Journal International, vol. 208, no. 3, p. 1690-1703, 2017.

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Simon Cabanes; Jonathan M Aurnou; Benjamin Favier; Michael Le Bars

A laboratory model for deep-seated jets on the gas giants Article de journal

Dans: Nature Physics, 2017.

Liens | BibTeX

O Février; P Maget; H Lütjens; P Beyer

Comparison of magnetic island stabilization strategies from magneto-hydrodynamic simulations Article de journal

Dans: Plasma Physics and Controlled Fusion, vol. 59, no. 4, p. 044002, 2017.

Résumé | Liens | BibTeX

O A. Bessonov

Analysis of mixed convection in the Czochralski model in a wide range of Prandtl numbers Article de journal

Dans: Fluid Dynamics, vol. 52, p. 375-387, 2017.

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Oleg Bessonov

Technological Aspects of the Hybrid Parallelization with OpenMP and MPI Inproceedings

Dans: Malyshkin, Victor (Ed.): Parallel Computing Technologies, p. 101–113, Springer International Publishing, Cham, 2017, ISBN: 978-3-319-62932-2.

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Patrick Maget; Fabien Widmer; Olivier Février; Xavier Garbet; Hinrich Lütjens

Stabilization of a magnetic island by localized heating in a tokamak with stiff temperature profile Non publié

2017, (working paper or preprint).

Résumé | Liens | BibTeX

Benjamin Kadoch; Wouter Bos; Kai Schneider

Directional change of fluid particles in two-dimensional turbulence and of football players Article de journal

Dans: Physical Review Fluids, vol. 2, no. 6, p. 064604, 2017.

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D Galassi; P Tamain; C Baudoin; H Bufferand; G Ciraolo; N Fedorczak; Ph. Ghendrih; N Nace; E Serre

Flux expansion effect on turbulent transport in 3D global simulations Article de journal

Dans: Nuclear Materials and Energy, vol. 12, p. 953 - 958, 2017, ISSN: 2352-1791, (Proceedings of the 22nd International Conference on Plasma Surface Interactions 2016, 22nd PSI).

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Umberto D'Ortona; Nathalie Thomas; Richard M Lueptow

Axial segregation in spherical and cylindrical rotating tumblers Article de journal

Dans: EPJ Web of Conferences, vol. 140, p. 03011, 2017.

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Ljiljana Stojanović; Saadullah G Aziz; Rifaat H Hilal; Felix Plasser; Thomas A Niehaus; Mario Barbatti

Nonadiabatic Dynamics of Cycloparaphenylenes with TD-DFTB Surface Hopping Article de journal

Dans: Journal of Chemical Theory and Computation, vol. 13, no. 12, p. 5846-5860, 2017, (PMID: 29140693).

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Shuming Bai; Mario Barbatti

Spatial Factors for Triplet Fusion Reaction of Singlet Oxygen Photosensitization Article de journal

Dans: The Journal of Physical Chemistry Letters, vol. 8, no. 21, p. 5456-5460, 2017, (PMID: 29058918).

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Shuming Bai; Mario Barbatti

Divide-to-Conquer: A Kinetic Model for Singlet Oxygen Photosensitization Article de journal

Dans: Journal of Chemical Theory and Computation, vol. 13, no. 11, p. 5528-5538, 2017, (PMID: 28953379).

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Daniele Fazzi; Mario Barbatti; Walter Thiel

Hot and Cold Charge-Transfer Mechanisms in Organic Photovoltaics: Insights into the Excited States of Donor/Acceptor Interfaces Article de journal

Dans: The Journal of Physical Chemistry Letters, vol. 8, no. 19, p. 4727-4734, 2017, (PMID: 28903560).

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Josene M Toldo; Mario Barbatti; Paulo F B Goncalves

A three-state model for the photo-Fries rearrangement Article de journal

Dans: Phys. Chem. Chem. Phys., vol. 19, p. 19103-19108, 2017.

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Claudia Climent; Mario Barbatti; Michael O Wolf; Christopher J Bardeen; David Casanova

The photophysics of naphthalene dimers controlled by sulfur bridge oxidation Article de journal

Dans: Chem. Sci., vol. 8, p. 4941-4950, 2017.

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Shuming Bai; Mario Barbatti

On the decay of the triplet state of thionucleobases Article de journal

Dans: Phys. Chem. Chem. Phys., vol. 19, p. 12674-12682, 2017.

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Joanna Jankowska; Mario Barbatti; Joanna Sadlej; Andrzej L Sobolewski

Tailoring the Schiff base photoswitching - a non-adiabatic molecular dynamics study of substituent effect on excited state proton transfer Article de journal

Dans: Phys. Chem. Chem. Phys., vol. 19, p. 5318-5325, 2017.

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2016

S. A. Rodionov, E. Athanassoula; N. Peschken

Forming disk galaxies in major mergers II. Article de journal

Dans: A&A , vol. 600, 2016.

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Meradji S., Accary G., Morvan D., Bessonov O., Fougére D.

Numerical Simulation of Grassland-Fires Behavior Using Firestar 3D Model Article de journal

Dans: In Proceedings Topical Problems of Fluid Mechanics , p. 129-140, 2016, ISBN: 978-80-87012-58-1.

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Jauzac, Eckert, et al.

The extraordinary amount of substructure in the Hubble Frontier Fields cluster Abell 2744 Article de journal

Dans: p. 3876-3893, 2016.

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B. Kadoch, T. Reimann, K. Schneider, & M. Schäfer

Comparison of a spectral method With volume penalization and a finite volume method with body fitted grids for turbulent flows Article de journal

Dans: Computers & Fluids, vol. 133, p. 140-150, 2016.

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Pivano A.; Dolocan V. O.

Chaotic dynamics of magnetic domain walls in nanowires Article de journal

Dans: Phys. Rev. B, vol. 93, p. 144410, 2016.

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J. Gounley; G. Boedec; M. Jaeger; M. Leonetti

Influence of surface viscosity on droplets in shear flow Article de journal

Dans: Journal of Fluid Mechanics, vol. 791, p. 464-494, 2016.

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Camenen, Y.; Casson, F. J.; Manas, P.; Peeters, A. G.

Interplay between toroidal rotation and flow shear in turbulence stabilisation Article de journal

Dans: Physics of Plasmas, vol. 23, no. 2, 2016.

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F Riva; C Colin; J Denis; L Easy; I Furno; J Madsen; F Militello; V Naulin; A H Nielsen; J M B Olsen; J T Omotani; J J Rasmussen; P Ricci; E Serre; P Tamain; C Theiler

Blob dynamics in the TORPEX experiment: a multi-code validation Article de journal

Dans: Plasma Physics and Controlled Fusion, vol. 58, no. 4, p. 044005, 2016.

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