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Accurate atomistic first-principles calculations of electronic stopping
Schleife, André; Kanai, Yosuke; Correa, Alfredo A.
simulation
metals and alloys
nuclear materials
DFT
Organizations
MDF Open
Year
2023
Source Name
schleife_accurate_atomistic_stopping
Contacts
lward@anl.gov
DOI
10.18126/uy0k-bwkq
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This dataset contains the outputs of real time time-dependent density functional theory (RT-TDDFT) calculations of a proton traveling at high velocities through face-centered cubic aluminum.