Dataset: Informing Quantum Materials Discovery and Synthesis using X-ray Micro-Computed Tomography

Dataset doi link: https://doi.org/10.34863/sd37-3694
Authors: Lucas A. Pressley1,2 Dave Edey3 Romy Hanna3 Sieun Chae4 John T. Heron4 Mojammel A. Khan1,2 and Tyrel M. McQueen1,2,5
Author affiliations:
1: Department of Chemistry, The Johns Hopkins University, Baltimore, Maryland 21218, United States
2: Institute for Quantum Matter, The William H. Miller III Department of Physics and Astronomy, The Johns Hopkins University, Baltimore, Maryland 21218, United States
3: Jackson School of Geosciences, University of Texas, Austin, Texas 78712, USA
4: Department of Materials Science and Engineering, University of Michigan, Ann Arbor, Michigan 48109, USA
5: Department of Materials Science and Engineering, The Johns Hopkins University, Baltimore, Maryland 21218, USA

The dataset shows how X-ray micro-computed tomography (μCT) can be used to non-destructively generate 3D representations of a material with micron/nanometer precision. This is shown through a variety of test cases, including

  1. Compacted Cu powder
  2. Flux grown SmB6 single crystals
  3. Flux grown rutile GeO2
  4. Floating zone grown YbMgGaO4
  5. Diffraction Computed Tomography of rutile TiO2
The following datasets include the raw μCT data along with any auxiliary data used (such as Laue diffraction).

FZ Footage
ItemTypeFile
Growth done on August 3rd 2021zipped folder2021-08-03.zip
Growth done on August 4th 2021zipped folder2021-08-04.zip
Growth done on March 8th 2021zipped folder2021-03-08.zip
Figure2
ItemTypeFile
μCT instrument raw data for Cu pelletlogCu_noannealing.log
μCT raw absorption datazipped folderCu-pellet.zip
Figure3
ItemTypeFile
μCT instrument raw data for SmB6 cube shaped crystallogcube.log
μCT raw absorption data for SmB6 cube shaped crystalzipped foldercube.zip
μCT instrument raw data for SmB6 rod shaped crystallogrod.log
μCT raw absorption data for SmB6 rod shaped crystalzipped folderrod.zip
Figure4
ItemTypeFile
μCT instrument raw data for fast cooled r-GeO2 single crystallogPDC_PBF1_20201118_2_214_ND1-r-GeO2-flux-xtal.log
μCT raw absorption data for fast cooled r-GeO2 single crystalzipped folderPDC_PBF1_20201118_2_214_ND1-r-GeO2-flux-xtal.zip
μCT instrument raw data for slow cooled r-GeO2 single crystallogPDC_POOT_20210427_1_214_ND1.log
μCT raw absorption data for slow cooled r-GeO2 single crystalzipped folderPDC_POOT_20210427_1_214_ND1.zip
Laue X-ray diffraction for fast cooled r-GeO2 single crystalbmpr-GeO2-align-20211119.bmp
Figure5
ItemTypeFile
μCT instrument raw data for HPFZ YbMgGaO4 single crystallogYbMgGaO4.log
μCT raw absorption data for HPFZ YbMgGaO4 single crystalzipped folderYbMgGaO4.zip
Figure6
ItemTypeFile
DCT instrument details for LDFZ r-TiO2 single crystalpdfRutileA_report.pdf
DCT instrument details for LDFZ r-TiO2 single crystalh5RutileA_report.h5