Zobrazeno 1 - 10
of 650
pro vyhledávání: '"Luque, Luis"'
Autor:
Barroso-Luque, Luis, Shuaibi, Muhammed, Fu, Xiang, Wood, Brandon M., Dzamba, Misko, Gao, Meng, Rizvi, Ammar, Zitnick, C. Lawrence, Ulissi, Zachary W.
The ability to discover new materials with desirable properties is critical for numerous applications from helping mitigate climate change to advances in next generation computing hardware. AI has the potential to accelerate materials discovery and d
Externí odkaz:
http://arxiv.org/abs/2410.12771
Disordered rocksalt Li-excess (DRX) compounds have emerged as promising new cathode materials for lithium-ion batteries, as they can consist solely of resource-abundant metals and eliminate the need for cobalt or nickel. A deeper understanding of the
Externí odkaz:
http://arxiv.org/abs/2308.02725
Modern battery materials can contain many elements with substantial site disorder, and their configurational state has been shown to be critical for their performance. The intercalation voltage profile is a critical parameter to evaluate the performa
Externí odkaz:
http://arxiv.org/abs/2307.03717
Autor:
Kam, Ronald L., Jun, KyuJung, Barroso-Luque, Luis, Yang, Julia H., Xie, Fengyu, Ceder, Gerbrand
The Li$_2$S-P$_2$S$_5$ pseudo-binary system has been a valuable source of promising superionic conductors, with $\alpha$-Li$_3$PS$_4$, $\beta$-Li$_3$PS$_4$, HT-Li$_7$PS$_6$, and Li$_7$P$_3$S$_{11}$ having excellent room temperature Li-ion conductivit
Externí odkaz:
http://arxiv.org/abs/2307.00878
Publikováno v:
J. Mater. Chem. A, 2023,11, 17728-17736
Disordered rocksalt Li-excess (DRX) compounds are attractive new cathode materials for Li-ion batteries as they contain resource-abundant metals and do not require the use of cobalt or nickel. Understanding the delithiation process and cation short-r
Externí odkaz:
http://arxiv.org/abs/2304.14645
Autor:
Barroso-Luque, Luis, Ceder, Gerbrand
Lattice models parameterized using first-principles calculations constitute an effective framework to simulate the thermodynamic behavior of physical systems. The cluster expansion method is a flexible lattice-based method used extensively in the stu
Externí odkaz:
http://arxiv.org/abs/2301.02309
Monte-Carlo sampling of lattice model Hamiltonians is a well-established technique in statistical mechanics for studying the configurational entropy of crystalline materials. When species to be distributed on the lattice model carry charge, the charg
Externí odkaz:
http://arxiv.org/abs/2210.01165
We introduce the $\ell_0\ell_2$-norm regularization and hierarchy constraints into linear regression for the construction of cluster expansion to describe configurational disorder in materials. The approach is implemented through mixed integer quadra
Externí odkaz:
http://arxiv.org/abs/2204.13789
Compressed sensing has become a widely accepted paradigm to construct high dimensional cluster expansion models used for statistical mechanical studies of atomic configuration in complex multicomponent crystalline materials. However, strict sampling
Externí odkaz:
http://arxiv.org/abs/2109.06905
Autor:
Maestre-Luque, Luis Carlos, González-Manzanares, Rafael, Fernández-Cordón, Clara, Díez-Delhoyo, Felipe
Publikováno v:
In REC: CardioClinics September 2024
