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Jul 16, 2025 - A01 Gas-Surface Interactions Investigated by Atomistic Simulations
Kümmel, Simon; Roth, Johannes, 2025, "Data for: Development and validation of an electron temperature-dependent interaction potential for silicon and copper for the use in atomistic simulations of laser ablation", https://doi.org/10.18419/DARUS-5161, DaRUS, V1
This data set includes DFT and MD data that was used for the paper "Development and validation of an electron temperature-dependent interaction potential for silicon and copper for the use in atomistic simulations of laser ablation". In each folder, the respective data as well as analysis and visualization scripts written in Python are given. Singl... |
ZIP Archive - 226.7 MB -
MD5: 2e671d21b8a426314f19f1848a6f8d33
DFT and MD data for the determination of the elastic constants |
ZIP Archive - 35.0 MB -
MD5: 50d8897c49d5ef3f6f4e3a929b801373
DFT and MD data for the determination of the free energy curves |