المؤلفون: Manorosoa, Zafilaza Armi

المساهمون: ThermoMécanique des Matériaux (ThM2), Laboratoire de Mécanique et Génie Civil (LMGC), Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM), Mécanique Théorique, Interface, Changements d’Echelles (MéTICE), Université de Montpellier, Yann Monerie, André Chrysochoos

المصدر: https://theses.hal.science/tel-04702538 ; Physique [physics]. Université de Montpellier, 2024. Français. ⟨NNT : 2024UMONS004⟩.

مصطلحات موضوعية: Atomistics, Molecular dynamics, Uranium dioxide, Semi-Empirical potential, Cohesive Zone Model, Multi-Scale, Atomistique, Dynamique moléculaire, Dioxyde d'uranium, Potentiel semi-Empirique, Modèle de Zone Cohésive, Multi-Échelle, [PHYS.PHYS]Physics [physics]/Physics [physics]

Relation: NNT: 2024UMONS004

الاتاحة: https://theses.hal.science/tel-04702538
https://theses.hal.science/tel-04702538v1/document
https://theses.hal.science/tel-04702538v1/file/MANOROSOA_2024_archivage.pdf

المؤلفون: Lahti, A, Östermark, Ralf, Kokko, K

المصدر: Lahti , A , Östermark , R & Kokko , K 2019 , ' Optimizing Atomic Structures through Geno-Mathematical Programming ' , Communications in Computational Physics , vol. 25 , pp. 911–927 . https://doi.org/10.4208/cicp.OA-2017-0253

مصطلحات موضوعية: geno-mathematical programming, bulk silicon, semi-empirical potential

Relation: https://research.abo.fi/en/publications/4db74bdf-9788-4567-ac7b-f66505ef2f8e

الاتاحة: https://research.abo.fi/en/publications/4db74bdf-9788-4567-ac7b-f66505ef2f8e
https://doi.org/10.4208/cicp.OA-2017-0253

المؤلفون: Roger Smith, Kenny Jolley, Chris Latham, Malcolm Heggie, Adri van Duin, Diana van Duin, Houzheng Wu

مصطلحات موضوعية: Geochemistry, Mathematical Sciences not elsewhere classified, Graphite, Semi-empirical potential, Density-functional calculations, Defects, Cascades

Relation: 2134/23200; https://figshare.com/articles/journal_contribution/A_ReaXFF_carbon_potential_for_radiation_damage_studies/9234074

الاتاحة: https://figshare.com/articles/journal_contribution/A_ReaXFF_carbon_potential_for_radiation_damage_studies/9234074

المؤلفون: Lahti, Antti, Östermark, Ralf, Kokko, Kalevi

المصدر: Lahti , A , Östermark , R & Kokko , K 2022 , ' Optimization of SiO 2 with GHA and basin hopping ' , Computational Materials Science , vol. 210 , 111011 . https://doi.org/10.1016/j.commatsci.2021.111011

مصطلحات موضوعية: Basin hopping, Bulk SiO, Optimization, Semi empirical potential

Relation: https://research.abo.fi/en/publications/3eb488f3-fa4c-4ea6-bf70-0044d8deed04

الاتاحة: https://research.abo.fi/en/publications/3eb488f3-fa4c-4ea6-bf70-0044d8deed04
https://doi.org/10.1016/j.commatsci.2021.111011
http://www.scopus.com/inward/record.url?scp=85119335384&partnerID=8YFLogxK

المؤلفون: Meshkov V.V., Stolyarov A.V., Ermilov A.Yu., Medvedev E.S., Ushakov V.G., Gordon I.E.

مصطلحات موضوعية: semi-empirical potential, carbon monoxide

Relation: https://doi.org/10.5281/zenodo.1198743; https://doi.org/10.5281/zenodo.1198744; oai:zenodo.org:1198744

الاتاحة: https://doi.org/10.5281/zenodo.1198744

المؤلفون: Faginas-Lago N., Apriliyanto Y. B., Lombardi A.

المساهمون: Noelia Faginas-Lago, Yusuf Bramastya Apriliyanto, Andrea Lombardi, Faginas-Lago, N., Apriliyanto, Y. B., Lombardi, A.

مصطلحات موضوعية: DL_POLY software, Gaseous adsorption, Graphynes, Molecular dynamics, Semi-empirical potential energy surface

وصف الملف: ELETTRONICO

Relation: info:eu-repo/semantics/altIdentifier/isbn/978-3-030-87015-7; info:eu-repo/semantics/altIdentifier/isbn/978-3-030-87016-4; info:eu-repo/semantics/altIdentifier/wos/WOS:000728372400032; ispartofbook:Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics); 21st International Conference on Computational Science and Its Applications, ICCSA 2021; volume:12958; firstpage:426; lastpage:438; numberofpages:13; serie:LECTURE NOTES IN ARTIFICIAL INTELLIGENCE; http://hdl.handle.net/11391/1518108; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85115709018; https://link.springer.com/chapter/10.1007/978-3-030-87016-4_32#citeas

الاتاحة: http://hdl.handle.net/11391/1518108
https://doi.org/10.1007/978-3-030-87016-4_32
https://link.springer.com/chapter/10.1007/978-3-030-87016-4_32#citeas

المصدر: Neural Networks in Chemical Reaction Dynamics, 2012.

الاتاحة: https://doi.org/10.1093/oso/9780199765652.003.0012

المؤلفون: Diana M. van Duin, Kenny Jolley, Christopher D. Latham, Houzheng Wu, M. I. Heggie, Adri C. T. van Duin, Roger Smith

المصدر: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms. 393:49-53

مصطلحات موضوعية: Nuclear and High Energy Physics, Fullerene, Chemistry, Ab initio, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, Collision, 01 natural sciences, Molecular physics, 0104 chemical sciences, Molecular dynamics, Density-functional calculations, Cascades, Ab initio quantum chemistry methods, Computational chemistry, Radiation damage, Graphite, Semi-empirical potential, Defects, ReaxFF, 0210 nano-technology, Instrumentation

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::25e0dcc4be3cf7764559024db8abb05a
https://doi.org/10.1016/j.nimb.2016.11.007

المؤلفون: Front, Alexis

Thesis Advisors: Aix-Marseille, Mottet, Christine

مصطلحات موضوعية: Nanoalliages, Monte Carlo, Ordre chimique, Potentiel semi-Empirique, Ségrégation, Nanoalloys, Chemical ordering, Semi-Empirical potential, Segregation, 539

الاتاحة: http://www.theses.fr/2018AIXM0557/document

المؤلفون: Front, Alexis

المساهمون: Aix-Marseille, Mottet, Christine

مصطلحات موضوعية: Nanoalliages, Monte Carlo, Ordre chimique, Potentiel semi-Empirique, Ségrégation, Nanoalloys, Chemical ordering, Semi-Empirical potential, Segregation

Time: 539

Relation: http://www.theses.fr/2018AIXM0557/document

الاتاحة: http://www.theses.fr/2018AIXM0557/document

المؤلفون: Marcelo M. Mariscal, M. Ludueña, Jimena A. Olmos-Asar

المساهمون: OLMOS ASAR, Jimena Anahi, Ludueña, M., Mariscal, M. M.

المصدر: Physical chemistry chemical physics : PCCP. 16(30)

مصطلحات موضوعية: Tiol, Stereochemistry, General Physics and Astronomy, Crystal structure, Metal, nanoparticles,atomistic simulation,semi-empirical potential, Monolayer, Molecule, Gold Nanoparticles, Physical and Theoretical Chemistry, Amines, Alkyl, Monolayer Protected, chemistry.chemical_classification, Ligand, Otras Ciencias Químicas, semi-empirical potential, Ciencias Químicas, Crystallography, chemistry, Colloidal gold, Covalent bond, visual_art, visual_art.visual_art_medium, nanoparticles, atomistic simulation, CIENCIAS NATURALES Y EXACTAS

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::197bace18de0137ddb6c10aa3d59dbb0
https://pubmed.ncbi.nlm.nih.gov/24963610

المؤلفون: Hepburn, D. J., Ackland, G. J., Olsson, Pär

المصدر: Philosophical Magazine. 89:3393-3411

مصطلحات موضوعية: Finnis–Sinclair, semi-empirical potential, transition metal solute, iron, rescaling, multicomponent

وصف الملف: print

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-62836

المؤلفون: Arayro, Jack

Thesis Advisors: Aix-Marseille, Tréglia, Guy, Ribeiro, Fabienne

مصطلحات موضوعية: Matériaux pour le nucléaire, Modélisation atomique, Xénon, Dioxyde d’uranium, Simulations Monte-Carlo, Potentiel semi-Empirique, Comportement thermomécanique, Nuclear materials, Atomistic modeling, Xenon, Uranium dioxide, Monte-Carlo simulations, Semi-Empirical potential, Thermomechanical behavior, 620

الاتاحة: http://www.theses.fr/2015AIXM4117/document

المؤلفون: OLMOS ASAR, Jimena Anahi, Ludueña, M., Mariscal, M. M.

المساهمون: OLMOS ASAR, Jimena Anahi, Ludueña, M., Mariscal, M. M.

مصطلحات موضوعية: nanoparticles,atomistic simulation,semi-empirical potential

Relation: volume:16; issue:30; firstpage:15979; lastpage:15987; numberofpages:9; journal:PHYSICAL CHEMISTRY CHEMICAL PHYSICS; http://hdl.handle.net/11368/2833702; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-84904129508

الاتاحة: http://hdl.handle.net/11368/2833702
https://doi.org/10.1039/C4CP01963F

المؤلفون: julien godet

المساهمون: Laboratoire de métallurgie physique (LMP), Centre National de la Recherche Scientifique (CNRS)-Université de Poitiers, Université de Poitiers, Pierre Beauchamp(pierre.beauchamp@univ-poitiers.fr), Universite Autonome de Madrid

المصدر: Matière Condensée [cond-mat]. Université de Poitiers, 2004. Français
HAL

مصطلحات موضوعية: islocation, dislocation, ab initio, semi-empirical potential, silicon, marche, nucléation, simulation atomistique, [SPI.MECA]Engineering Sciences [physics]/Mechanics [physics.med-ph], [INFO.INFO-MO]Computer Science [cs]/Modeling and Simulation, silicium, atomistic simulation, surface, potentiel semi-empirique, dynamique moléculaire, [PHYS.COND]Physics [physics]/Condensed Matter [cond-mat], molecular dynamics, step

URL الوصول: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::3f47b8c42ecc456950ec69ab736d6c2a
https://tel.archives-ouvertes.fr/tel-00154364/file/these_j.godet_27-09-04_hyperlink.pdf

المؤلفون: Godet, Julien

المساهمون: Laboratoire de métallurgie physique (LMP), Centre National de la Recherche Scientifique (CNRS)-Université de Poitiers, Université de Poitiers, Pierre Beauchamp(pierre.beauchamp@univ-poitiers.fr), Universite Autonome de Madrid, Godet, Julien

المصدر: Matière Condensée [cond-mat]. Université de Poitiers, 2004. Français

مصطلحات موضوعية: islocation, dislocation, ab initio, semi-empirical potential, silicon, marche, nucléation, simulation atomistique, [SPI.MECA]Engineering Sciences [physics]/Mechanics [physics.med-ph], [SPI.MECA] Engineering Sciences [physics]/Mechanics [physics.med-ph], [INFO.INFO-MO]Computer Science [cs]/Modeling and Simulation, silicium, atomistic simulation, surface, potentiel semi-empirique, [INFO.INFO-MO] Computer Science [cs]/Modeling and Simulation, dynamique moléculaire, [PHYS.COND]Physics [physics]/Condensed Matter [cond-mat], molecular dynamics, step, [PHYS.COND] Physics [physics]/Condensed Matter [cond-mat]

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::97a98e55bb917f459983c672b1a9ac4d
https://tel.archives-ouvertes.fr/tel-00154364/file/these_j.godet_27-09-04_hyperlink.pdf

المؤلفون: Godet, Julien

المساهمون: Laboratoire de métallurgie physique (LMP Poitiers ), Université de Poitiers = University of Poitiers (UP)-Centre National de la Recherche Scientifique (CNRS), Université de Poitiers, Pierre Beauchamp(pierre.beauchamp@univ-poitiers.fr), Universite Autonome de Madrid

المصدر: https://theses.hal.science/tel-00154364 ; Matière Condensée [cond-mat]. Université de Poitiers, 2004. Français. ⟨NNT : ⟩.

مصطلحات موضوعية: islocation, step, silicon, atomistic simulation, semi-empirical potential, molecular dynamics, dislocation, nucléation, surface, marche, silicium, simulation atomistique, ab initio, potentiel semi-empirique, dynamique moléculaire, [PHYS.COND]Physics [physics]/Condensed Matter [cond-mat], [SPI.MECA]Engineering Sciences [physics]/Mechanics [physics.med-ph], [INFO.INFO-MO]Computer Science [cs]/Modeling and Simulation

Relation: tel-00154364; https://theses.hal.science/tel-00154364; https://theses.hal.science/tel-00154364/document; https://theses.hal.science/tel-00154364/file/these_j.godet_27-09-04_hyperlink.pdf

الاتاحة: https://theses.hal.science/tel-00154364
https://theses.hal.science/tel-00154364/document
https://theses.hal.science/tel-00154364/file/these_j.godet_27-09-04_hyperlink.pdf

المؤلفون: Arayro, Jack

المساهمون: Laboratoire de Physique et de Thermomécanique des Matériaux (IRSN/PSN-RES/SEMIA/LPTM), Institut de Radioprotection et de Sûreté Nucléaire (IRSN), Aix Marseille Université (AMU), AREVA NC, Aix-Marseille Université, Guy TREGLIA

المصدر: https://irsn.hal.science/tel-04428964 ; Matière Condensée [cond-mat]. Aix-Marseille Université, 2015. Français. ⟨NNT : 2015AIXM4117⟩.

مصطلحات موضوعية: Nuclear materials, Atomistic modeling, Xenon, Uranium dioxide, Monte-Carlo simulations, Semi-Empirical potential, Thermomechanical behavior, Matériaux pour le nucléaire, Modélisation atomique, Xénon, Dioxyde d'uranium, Simultions Monte-Carlo, Potentiel semi-Empirique, Comportement thermomécanique, Monte-Carlo, Méthode de, Réacteurs à eau sous pression, [PHYS.COND]Physics [physics]/Condensed Matter [cond-mat]

Relation: NNT: 2015AIXM4117

الاتاحة: https://irsn.hal.science/tel-04428964