Data to Supplemental Material: Effects of isotope and chemical incoherence on self-diffusion of atoms in liquid alloys of gallium with isotopes of nickel: Experiments based on quasielastic neutron scattering versus molecular dynamics simulations (supplementary information data)
Goychuk, Igor; Unruh, Tobias;
Data to Supplemental Material: Effects of isotope and chemical incoherence on self-diffusion of atoms in liquid alloys of gallium with isotopes of nickel: Experiments based on quasielastic neutron scattering versus molecular dynamics simulations (supplementary information data)
The data provided relates to the supplementary information of a publication in Physical Review B (10.1103/PhysRevB.111.064302). Here supplementary MD trajectories are provided. Two subdirectories, Ga9Ni_60 and Ga49Ni_60, are included each of which contains zip-compressed archives named TrajectoriesXXX.zip, according to the corresponding temperatures XXX. For T=823 K, 1073 K, 1173 K, each such archive contains ten subdirectories with the results of ten runs of simulations performed with the VASP software, https://www.vasp.at/. For T=1273 K in Ga49Ni_60, the archive contains five subdirectories with five runs of simulations. The trajectory files are in XDATCAR format and compressed using gzip.
- University of Erlangen-Nuremberg Germany
- Universität Augsburg Germany
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