Temperature-Dependent INS Data of Rutile TiO2
INS (ARCS) Data at 300, 850, and 1400 K DFT calculations at 0, 4, and 6 GPa (Force constants and phonopy.yaml files)
36 MATERIALS SCIENCE↗
Engineering topics
Manley, Michael (ORCID:0000000340539986)
Publications and source records attributed to Manley, Michael (ORCID:0000000340539986).
Lattice dynamics of alpha-uranium measured on ARCS.
The combined inelastic neutron scattering data from ARCS for alpha-Uranium single crystal measured at 300K, 200K, 70K and 20K. The incident neutron energy was 30 meV. To obtain a significant four-dimensional Q-E volume, the crystal was measured in two scattering geometries, with the [001] and [011] directions oriented along the vertical rotations axis. For each geometry, the crystal was rotated in 1 degree steps with respect to the incident beam. All the individual angles data files at each temperature were merged and analyzed using SHIVER software package (https://neutrons.github.io/Shiver/). The files labeled a_U_HKL_20K_new.nxs, a_U_HKL_70K.nxs, a_U_HKL_200K.nxs and a_U_HKL_300K.nxs are for [011] oriented scattering at 20K, 70K, 200K, and 300K respectively. The files labeled a_U_HK0_70K.nxs, a_U_HK0_200K.nxs and a_U_HK0_300K.nxs are for [001] oriented scattering at temperatures 70K, 200K and 300K respectively.
36 MATERIALS SCIENCE↗
Anharmonic TiO2 Phonons
Single Crystal ARCS data of TiO2 at several temperatures
36 MATERIALS SCIENCE↗
YbCuBi ARCS + POWGEN data
This dataset contains temperature-dependent powder diffraction patterns collected at POWGEN, SNS (10K - 520K), and inelastic neutron scattering data collected at ARCS, SNS at corresponding temperatures on YbCuBi powder samples.
36 MATERIALS SCIENCE↗
Phonon Dispersion Relations and Electron-Phonon Coupling in Iridium
This dataset comprises inelastic neutron scattering measurements of iridium conducted at SNS (ARCS, ITPS-30061) and HFIR (HB-3, TAX, IPTS-25194). ARCS data collected using 50 meV incident energy and include both signal and background files at various temperatures (100 K to 700 K). HB-3 (TAX) measurements span a temperature range from 100 K to 700 K and are organized by run numbers. Background contributions from the sample environment, such as shiver-induced noise, are included for completeness. The details of data description can be found in description.txt.
iridium, phonon, electron-phonon coupling↗
Supporting Data for "Constraints on magnetism and correlations in RuO2 from lattice dynamics and Mössbauer spectroscopy"
Contents of this DOI are data for the research paper "Constraints on magnetism and correlations in RuO2 from lattice dynamics and Mossbauer spectroscopy" by the authors: George Yumnam, et. al. The dataset contains data from inelastic x-ray scattering measurements of RuO2 single crystals performed at the Advanced Photon Source in Argonne National Lab. This dataset also contains data from inelastic neutron scattering experiments of RuO2 powder performed at the ARCS spectrometer at Spallation Neutron Source at ORNL. Supporting theoretical calculations based on density functional theory with r2SCAN and DFT+U methods is also included in this dataset. Please see the README.txt files for more information of the dataset and file contents. For comments and questions, please contact: George Yumnam (yumnamg@ornl.gov) and/or Raphael P Hermann (hermannrp@ornl.gov)
density functional theory↗
Phonon Density of States in Zirconium Nitride
Measurements of the phonon density of states of ZrN at 6, 100, 300, 400, 600K.
MATERIALS SCIENCE↗