Zobrazeno 1 - 10
of 8 556
pro vyhledávání: '"Beland"'
Amorphous solids form an enormous and underutilized class of materials. In order to drive the discovery of new useful amorphous materials further we need to achieve a closer convergence between computational and experimental methods. In this review,
Externí odkaz:
http://arxiv.org/abs/2410.05035
Si and its oxides have been extensively explored in theoretical research due to their technological and industrial importance. Simultaneously describing interatomic interactions within both Si and SiO$_2$ without the use of \textit{ab initio} methods
Externí odkaz:
http://arxiv.org/abs/2311.15170
Autor:
Pedram, Yalda, Zhang, Yaoting, Briggs, Scott, Kim, Chang Seok, Brochard, Laurent, Kalinichev, Andrey G., Béland, Laurent Karim
Montmorillonite (MMT) is the main mineral component of bentonite, which is currently proposed as a sealing material in deep geological repositories (DGRs) for used nuclear fuel. In the Canadian program, which will utilize copper-cladded used fuel con
Externí odkaz:
http://arxiv.org/abs/2311.11139
Under irradiation, Zr and Zr alloys undergo growth in the absence of applied stress. This phenomenon is thought to be associated with the anisotropy of diffusion of either or both radiation-induced point defects and defect clusters. In this work, mol
Externí odkaz:
http://arxiv.org/abs/2309.05781
Autor:
Luo, Yu, Meziere, Jason A., Samolyuk, German D., Hart, Gus L. W., Daymond, Mark R, Béland, Laurent Karim
Machine learning force fields (MLFFs) are an increasingly popular choice for atomistic simulations due to their high fidelity and improvable nature. Here, we propose a hybrid small-cell approach that combines attributes of both offline and active lea
Externí odkaz:
http://arxiv.org/abs/2306.00128
While machine-learned interatomic potentials have become a mainstay for modeling materials, designing training sets that lead to robust potentials is challenging. Automated methods, such as active learning and on-the-fly learning, construct reliable
Externí odkaz:
http://arxiv.org/abs/2304.01314