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- Argonne National LaboratoryUS408 papers
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5 papers · 2 filters
Bio-inspired vascularized electrodes for high-performance fast-charging batteries designed by deep learning
Chenxi Sui, Yao-Yu Li, Xiuqiang Li +4
Slow ionic transport and high voltage drop (IR drop) of homogeneous porous electrodes are the critical causes of severe performance degradation of lithium-ion (Li-ion) batteries un…
Exchange bias without directional anisotropy in Permalloy/CoO bilayers
Alexander Mitrofanov, Guanxiong Chen, Alexander Kozhanov +1
We utilize transverse ac susceptibility measurements to characterize magnetic anisotropy in archetypal exchange-bias bilayers of ferromagnet Permalloy (Py) and antiferromagnet CoO.…
Accurate Frozen Core Approximation for All-Electron Density-Functional Theory
Victor Wen-zhe Yu, Jonathan Moussa, Volker Blum
We implement and benchmark the frozen core approximation, a technique commonly adopted in electronic structure theory to reduce the computational cost by means of mathematically fi…
A Variational Phase-Field Model For Ductile Fracture with Coalescence Dissipation
Tianchen Hu, Brandon Talamini, Andrew J. Stershic +2
A novel phase-field for ductile fracture model is presented. The model is developed within a consistent variational framework in the context of finite-deformation kinematics. A nov…
Automated coordination corrected enthalpies with AFLOW-CCE
R. Friedrich, M. Esters, C. Oses +6
The computational design of materials with ionic bonds poses a critical challenge to thermodynamic modeling since density functional theory yields inaccurate predictions of their f…