Zobrazeno 1 - 10
of 55
pro vyhledávání: '"Laurent Karim, Béland"'
Publikováno v:
npj Computational Materials, Vol 10, Iss 1, Pp 1-16 (2024)
Abstract Si and its oxides have been extensively explored in theoretical research due to their technological importance. Simultaneously describing interatomic interactions within both Si and SiO2 without the use of ab initio methods is considered cha
Externí odkaz:
https://doaj.org/article/71f96c83a7b74d8dbc8fcea91ea5c485
Autor:
El Tayeb Bentria, Prathamesh Mahesh Shenai, Stefano Sanvito, Heesoo Park, Laurent Karim Béland, Nicholas Laycock, Fedwa El Mellouhi
Publikováno v:
npj Materials Degradation, Vol 8, Iss 1, Pp 1-8 (2024)
Abstract Iron pentacarbonyl (IPC) gas forms upon the reaction of carbon monoxide with Fe containing metallic surfaces under gas reforming conditions. IPC formation can sometimes reach alarming levels that cause metal loss, pipeline thinning corrosion
Externí odkaz:
https://doaj.org/article/e48c172807d2430c8721229d2787d3c5
Publikováno v:
Journal of Nuclear Materials. 576:154231
Autor:
Keyvan Ferasat, Yanwen Zhang, Laurent Karim Béland, A. V. Barashev, Zhongwen Yao, Yuri N. Osetsky
Publikováno v:
npj Computational Materials, Vol 6, Iss 1, Pp 1-8 (2020)
In this paper we report a new fundamental understanding of chemically-biased diffusion in Ni–Fe random alloys that is tuned/controlled by the intrinsic quantifiable chemical complexity. Development of radiation-tolerant alloys has been a long-stand
Publikováno v:
Journal of Nuclear Materials
Journal of Nuclear Materials, 2021, 554, pp.153059. ⟨10.1016/j.jnucmat.2021.153059⟩
Journal of Nuclear Materials, 2021, 554, pp.153059. ⟨10.1016/j.jnucmat.2021.153059⟩
We combine atomistic calculations and continuum laws to model irradiation-induced vacancy and interstitial dislocation loops in α -zirconium. A comprehensive set of Burgers vectors/stacking sequences in the prismatic and basal planes, of sizes acces
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3c3553dd7081ff2dab6e7b7989c3447a
https://hal.science/hal-03576208
https://hal.science/hal-03576208
Interstitialcy-based reordering kinetics of Ni 3 Al precipitates in irradiated Ni-based super alloys
Autor:
Thomas D. Swinburne, Mark R. Daymond, Zhongwen Yao, Peyman Saidi, Keyvan Ferasat, Laurent Karim Béland
Publikováno v:
Materialia
Materialia, 2021, 19, pp.101180. ⟨10.1016/j.mtla.2021.101180⟩
Materialia, Elsevier, 2021, 19, pp.101180. ⟨10.1016/j.mtla.2021.101180⟩
Materialia, 2021, 19, pp.101180. ⟨10.1016/j.mtla.2021.101180⟩
Materialia, Elsevier, 2021, 19, pp.101180. ⟨10.1016/j.mtla.2021.101180⟩
Neutron irradiation tends to promote disorder in ordered alloys through the action of the thermal spikes that it generates, while simultaneously introducing point defects and defect clusters. As they migrate, these point defects will promote reorderi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::297003aeaf79c8db880e07138b18fa8c
https://hal.science/hal-03379973
https://hal.science/hal-03379973
Publikováno v:
Materials Letters. 247:111-114
An irradiation-induced nanotwinning mechanism in zirconium and titanium is proposed, based on molecular dynamics simulations. Atomistic configurations before and after nanotwinning are characterized in Zr, Mg and Ti, using four different semi-empiric
Autor:
Hao Sun, Keyvan Ferasat, Philip Nowak, Liam Gravelle, Noah Gaffran, Chris Anderson, Tim Sirola, Owen Pintar, W Brent Lievers, Il Yong Kim, Keith Pilkey, Laurent Karim Béland
Publikováno v:
Modelling and Simulation in Materials Science and Engineering. 30:054001
Using conventional continuum-based simulation frameworks to model crack initiation and extension can be computationally challenging. As an alternative to continuum-based approaches, particle-based simulation methods are well-suited to handle the disc
Autor:
Hao Sun, Laurent Karim Béland
Publikováno v:
Acta Materialia. 229:117814
Autor:
Chandra Veer Singh, Mark R. Daymond, Eric Nicholson, Peyman Saidi, Laurent Karim Béland, P. Changizian, He Ken Zhang, Zhongwen Yao, Yu Luo
Publikováno v:
Physical Review Letters. 124
The order-disorder transition in Ni-Al alloys under irradiation represents an interplay between various reordering processes and disordering due to thermal spikes generated by incident high energy particles. Typically, ordering is enabled by diffusio