Zobrazeno 1 - 10
of 16
pro vyhledávání: '"Potentiel interatomique"'
Autor:
Sanscartier, Eugène
Une approche donnant de meilleurs résultats pour les potentiels interatomiques en apprentissage-machine à la volée est proposée en comparant trois approches pour la recherche de processus activés par la technique d'activation-relaxation. Tout d'
Externí odkaz:
http://hdl.handle.net/1866/32095
Autor:
Allera, Arnaud
Ferritic steels, made of a body-centered cubic (bcc) iron matrix with interstitial carbon solutes, are widely-used structural materials. However, the atomic-scale mechanisms which control their plasticity are still only partially understood. At low t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od_______166::30fa44508c9c811cbc0458ae756fd376
https://theses.hal.science/tel-03728547
https://theses.hal.science/tel-03728547
Autor:
Torzuoli, Lyna
Publikováno v:
Matériaux. Université de Limoges, 2020. Français. ⟨NNT : 2020LIMO0072⟩
This work aims to improve the structural description of the pure TeO2 glass and to give an insight of the structure of TeO2-MxOy binary glasses (M = Ti, Tl) by means of X-ray total scattering experiments and molecular dynamics (MD) simulations. We we
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od_______212::ac8316a349c82b95d54717648c918517
https://tel.archives-ouvertes.fr/tel-03151273
https://tel.archives-ouvertes.fr/tel-03151273
Autor:
Dufresne, Alice
Le système zirconium-hydrogène est très étudié dans le cadre de la sûreté nucléaire car la précipitation d'hydrures entraîne la fragilisation des gainages, à base d'alliage de zirconium. Il s'agit de la première barrière de confinement d
Externí odkaz:
http://www.theses.fr/2014AIXM4096/document
Autor:
Gulenko, Anastasia
Ce travail a pour but d’améliorer la description structurale du verre de TeO2 pur et d’étudier en profondeur la structure de la phase désordonnée δ-TeO2 au moyen de la dynamique moléculaire (DM). Nous avons établi des potentiels interatomi
Externí odkaz:
http://www.theses.fr/2014LIMO0013/document
Autor:
Salles, Nicolas
L’objectif de ce travail consiste à développer un nouveau potentiel SMTB-Q, puis à l’incorporer dans un code de dynamique moléculaire (DM) afin d’étudier les premiers stades de l’oxydation de l’aluminium. Le potentiel peut modéliser l
Externí odkaz:
http://www.theses.fr/2014DIJOS034/document
Autor:
Salles, Nicolas
The goal of this work is to develop a new SMTB-Q potential in order to study the early stages of the oxidation of aluminium by molecular dynamics (MD).Our potential is able to model different alumina polymorphs as well as transitions from the amorpho
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______3711::6646031dc2df8164b71c2447a69d9eb2
https://theses.hal.science/tel-01128315
https://theses.hal.science/tel-01128315
Autor:
Govers, Kevin
Nuclear fuel performance is highly affected by the behaviour of fission gases, particularlyat elevated burnups, where large amounts of gas are produced and canpotentially be released. The importance of fission gas release was the motivationfor large
Autor:
Govers, Kevin K.
Nuclear fuel performance is highly affected by the behaviour of fission gases, particularly at elevated burnups, where large amounts of gas are produced and can potentially be released. The importance of fission gas release was the motivation for lar
Autor:
Govers, Kevin
Nuclear fuel performance is highly affected by the behaviour of fission gases, particularly at elevated burnups, where large amounts of gas are produced and can potentially be released. The importance of fission gas release was the motivation for lar
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______2101::ea37fe86557892667d1a19f32b5d4846
http://hdl.handle.net/2013/ULB-ETD:oai:ulb.ac.be:ETDULB:ULBetd-06172008-103750
http://hdl.handle.net/2013/ULB-ETD:oai:ulb.ac.be:ETDULB:ULBetd-06172008-103750