Zobrazeno 1 - 10
of 461
pro vyhledávání: '"Saidi, Wissam"'
Autor:
Van Essendelft, Dirk, Almolyki, Hayl, Shi, Wei, Jordan, Terry, Wang, Mei-Yu, Saidi, Wissam A.
The versatility and wide-ranging applicability of the Ising model, originally introduced to study phase transitions in magnetic materials, have made it a cornerstone in statistical physics and a valuable tool for evaluating the performance of emergin
Externí odkaz:
http://arxiv.org/abs/2404.16990
Autor:
Gromoff, Quentin, Benzo, Patrizio, Saidi, Wissam A., Andolina, Christopher M., Casanove, Marie-José, Hungria, Teresa, Barre, Sophie, Benoit, Magali, Lam, Julien
Publikováno v:
Nanoscale, 2024,16, 384-393
While nanoalloys are of paramount scientific and practical interests, the main processes leading to their formation are still poorly understood. Key structural features in the alloy systems, including crystal phase, chemical ordering, and morphology,
Externí odkaz:
http://arxiv.org/abs/2401.05106
Autor:
Wisesa, Pandu, Li, Meng, Curnan, Matthew T., Han, Jeong Woo, Yang, Judith C., Saidi, Wissam A.
The development of accurate methods for determining how alloy surfaces spontaneously restructure under reactive and corrosive environments is a key, long-standing, grand challenge in materials science. Current oxidation models, such as Cabrera-Mott,
Externí odkaz:
http://arxiv.org/abs/2308.11867
Publikováno v:
In Journal of Power Sources 1 September 2024 613
Machine learning potentials (MLPs) for atomistic simulations have an enormous prospective impact on materials modeling, offering orders of magnitude speedup over density functional theory (DFT) calculations without appreciably sacrificing accuracy in
Externí odkaz:
http://arxiv.org/abs/2201.07648
Autor:
Garza, Richard B., Lee, Jiyoung, Nguyen, Mai H., Garmon, Andrew, Perez, Danny, Li, Meng, Yang, Judith C., Henkelman, Graeme, Saidi, Wissam A.
Although the equilibrium composition of many alloy surfaces is well understood, the rate of transient surface segregation during annealing is not known, despite its crucial effect on alloy corrosion and catalytic reactions occurring on overlapping ti
Externí odkaz:
http://arxiv.org/abs/2110.13249
N{\o}rskov and collaborators proposed a simple kinetic model to explain the volcano relation for the hydrogen evolution reaction on transition metal surfaces in such that $ j_0= k_0 f({\Delta}G_H)$ where j_0 is the exchange current density, $f({\Delt
Externí odkaz:
http://arxiv.org/abs/2109.04219
Publikováno v:
Phys. Rev. Materials 5, 085404 (2021)
Halide perovskites are strongly influenced by large amplitude anharmonic lattice fluctuations at room temperature. We develop a tight binding model for dynamically disordered MAPbI$_3$ based on density functional theory (DFT) calculations to calculat
Externí odkaz:
http://arxiv.org/abs/2105.06525
The successful synthesis of high entropy alloy (HEA) nanoparticles, a long-sought goal in materials science, opens a new frontier in materials science with applications across catalysis, electronics, structural alloys, and energetic materials. Recent
Externí odkaz:
http://arxiv.org/abs/2104.07827
Autor:
Tadano, Terumasa, Saidi, Wissam A.
Understanding and predicting lattice dynamics in strongly anharmonic crystals is one of the long-standing challenges in condensed matter physics. Here we propose a first-principles method that gives accurate quasiparticle (QP) peaks of the phonon spe
Externí odkaz:
http://arxiv.org/abs/2103.00745