67 Works

Data for Fast Surface Dynamics on a Metallic Glass Nanowire

Debaditya Chatterjee, Ajay Annamareddy, Jittisa Ketkaew, Jan Schroers, Dane Morgan & Paul M. Voyles
Data for "Fast Surface Dynamics on a Metallic Glass Nanowire" by Debaditya Chatterjee, Ajay Annamareddy, Jittisa Ketkaew, Jan Schroers, Dane Morgan, Paul M. Voyles. Tilted dark-field electron correlation microscopy data and molecular dynamics simulations related to the near-surface layer on a metallic glass with fast dynamics.

Cohesion and excitations in diamond Si by quantum Monte Carlo methods: benchmarks and systematic biases

Abdulgani Annaberdiyev, Guangming Wang, Cody A. Melton, M. Chandler Bennett & Lubos Mitas
Dataset for "Quantum Monte Carlo of cohesion and excitations in diamond Si: benchmarks". Inputs and outputs are organized according to the various codes.

Reduced grain boundary mobilities in pure iron

Jin Zhang, Wolfgang Ludwig, Yubin Zhang, Hans Henrik B. Sørensen, David J. Rowenhorst, Akinori Yamanaka, Peter W. Voorhees & Henning F. Poulsen
Reduced grain boundary mobilities of 344 boundaries in pure iron measured by a fitting method described in *Grain boundary mobilities in polycrystals*, *Acta Materialia* 191 (2020) 211-220. The first three columns are components of the Rodrigues vector (in the fundamental zone of the 3D Rodrigues space) of the misorientation of the boundary. Columns 4 to 6 are components of the inclination (grain boundary normal in crystal coordinates) in the crystal coordinates of the first grain....

Data for Microstructure and microchemistry study of irradiation-induced precipitates in proton irradiated ZrNb alloys

Zefeng Yu, Chenyu Zhang, Paul M. Voyles, Lingfeng He, Xiang Liu, Kelly Nygren & Adrien Couet
Data for 1. Yu, Z., Zhang, C., Voyles, P. M., He, L., Liu, X., Nygren, K. & Couet, A. Microstructure and microchemistry study of irradiation-induced precipitates in proton irradiated ZrNb alloys. Acta Mater. 178, 228–240 (2019). DOI: 10.1016/j.actamat.2019.08.012. Nb precipitates are formed in a Zr matrix by proton irradiation. This data set contains Z-contrast STEM imaging and 4D STEM strain mapping of the Nb precipitates. MATLAB scripts for strain mapping from 4D STEM data with...

Data for Varying Kinetic Stability, Icosahedral Ordering, and Mechanical Properties of a Model Zr-Cu-Al Metallic Glass by Sputtering

Sachin V. Muley, Chengrong Cao, Debaditya Chatterjee, Carter Francis, Felix P. Lu, M. D. Ediger, John H. Perpezko & Paul M. Voyles
Data for "Varying Kinetic Stability, Icosahedral Ordering, and Mechanical Properties of a Model Zr-Cu-Al Metallic Glass by Sputtering" by Sachin V. Muley, Chengrong Cao, Debaditya Chatterjee, Carter Francis, Felix P. Lu, M. D. Ediger, John H. Perepezko, and Paul M. Voyles. This paper shows that the kinetic and thermodynamic stability of Zr65Cu27.5Al7.5 metallic glass thin films may be manipulated by changing the film deposition rate during sputtering. Changing stability increases the ordering of the glass...

Printable Hexagonal Boron Nitride Ionogels

Woo Jin Hyun, Lindsay E Chaney, Julia R. Downing, Ana C. M. de Moraes & Mark C. Hersam

Measurements of the Enthalpy and Specific Heat of Hf

Noah Paulson, Elise Jennings & Marius Stan
This is a collection of experimental measurements of the enthalpy and specific heat of Hf for the alpha, beta and liquid phases. Measurements were extracted from the table and figures of the original publications. Corrections have been made for historical temperature scales and Zr contamination where necessary. Reported errors have been converted to 1-sigma normal errors according to the GUM standard and estimated when not available.

Dataset for \"Utilizing Essential Symmetry Breaking in Auxiliary-Field Quantum Monte Carlo: Application to the Spin Gaps of the C36 Fullerene and an Iron Porphyrin Model Complex\"

Joonho Lee, Fionn D Malone & Miguel A Morales
Dataset for "Utilizing Essential Symmetry Breaking in Auxiliary-Field Quantum Monte Carlo: Application to the Spin Gaps of the C36 Fullerene and an Iron Porphyrin Model Complex". Included raw AFQMC output files, input files and wavefunctions.

WHA SEM Fracture Images Dataset and Activation Maps

Stylianos Tsopanidis & Shmuel Osovski
The WHA Dataset is a composed by SEM images of the fracture surface of WHA samples with different tungsten composition. This dataset is used to evaluate the efficiency of two Unsupervised Machine Learning algorithms that aim to cluster and classify the fracture images according to the tungsten composition. Additionally, the Activation Maps of the last convolution layer of the neural network (VGG16) that is used in an intermediate stage of the algorithms are computed, according...

PyTIE dataset

Charudatta Phatak, Arthur McCray & Tim Cote
Dataset Information - Patterned magnetic islands in a square lattice from CoFe. The sample was fabricated using electron beam lithography. There are two through-focus series image stacks, one for the sample as is (unflip), and second for the sample rotated by 180 deg (flip). The individual folders contain raw images in dm3 format, and the main folder contains aligned image stack. The *.fls files are text files which contain the list of DM3 files in...

Dataset for \"Manipulating magnetism in the topological semimetal EuCd2As2\" published in Physical Review B (R) 2020

Na Hyun Jo, Brinda Kuthanazhi, Yun Wu, Erik Timmons, Tae-Hoon Kim, Lin Zhou, Lin-Lin Wang, Benjamin G. Ueland, Andriy Palasyuk, Dominic H. Ryan, Robert J. McQueeney, Kyungchan Lee, Benjamin Schrunk, Anton A. Burkov, Ruslan Prozorov, Sergey L. Bud'ko, Adam Kaminski & Paul C. Can eld
Dataset for "Manipulating magnetism in the topological semimetal EuCd2As2" published in Physical Review B (R) 2020 The data is provided for each figure panel as indicated by file name. The data is in following forms: 1) Figure 1 data are xy format in Excel file. 2) ARPES color plot: 2D matrix data in delimited format 3) Energy distribution plots: first column is binding energy, rest are the intensities for each energy point. 3) Momentum distribution...

Dataset for Doping a bad metal: Origin of suppression of the metal-insulator transition in nonstoichiometric VO2

P. Ganesh, Frank Lechermann, Ilkka Kylanpaa, Jaron T. Krogel, Paul R. C. Kent & Olle Heinonen

Data set for \"Gapless Dirac surface states in the antiferromagnetic topological insulator MnBi2Te4\" published in the Phsycial Review B(R) 2020

Przemyslaw Swatek, Yun Wu, Lin-Lin Wang, Kyungchan Lee, Benjamin Schrunk, Jiaqiang Yan & Adam Kaminski
Data set for "Gapless Dirac surface states in the antiferromagnetic topological insulator MnBi2Te4" by P. Swatek et al., published in the Physical Review B(R) 2020. The data is provided for each figure panel as indicated by file name. The data is in following forms: 1) ARPES color plot: 2D matrix data in delimited format 2) Calculation - constant energy plots: vectors for XY type plots 3) Calculation - band dispersion: first column is momentum (x-axis)...

X-ray and infrared imaging of Ti-6Al-4V in laser powder bed fusion

Noah H. Paulson, Benjamin Gould, Sarah J. Wolff, Marius Stan & Aaron C. Greco
###### Description This data set consists of simultaneous X-ray and infrared (IR) imaging of laser powder bed fusion of Ti-6Al-4V powder. Fifteen experimental runs were performed at different scan speeds, power levels, and numbers of passes to investigate porosity formation in real time and correlate it to the IR signature of the top surface. Details of the experiment are provided in the accompanying publication by the same authors [1]. The raw IR data is not...

Dataset for Comparing Zwitterionic and PEG Exteriors of Polyelectrolyte Complex Micelles

Jeffrey Ting, Alexander Marras, Joseph Mitchell, Trinity Campagna & Matthew Tirrell
(1) background subtracted small angle X-ray scattering (SAXS) data from the Advanced Photon Source, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357, and the Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract No. DE-AC02-76SF00515. Data is organized by polyelectrolyte complex...

First-principles simulation of electron dynamics in self-irradiated silicon

Cheng-Wei Lee & Andre Schleife
This dataset contains the simulation details (input, output, and analysis) for the manuscript

HydroNet: Benchmark Tasks for Preserving Structural Motifs and Long-range Interactions in Predictive and Generative Models

Sutanay Choudhury, Jenna Pope, Logan Ward, Ian Foster, Marcus Schwarting, Ben Blaiszik, Joseph Heindel & Sotiris Xantheas

Elucidating charge transport mechanisms in cellulose-stabilized graphene inks

Ana C. M. de Moraes, Jan Obrzut, Vinod K. Sangwan, Julia R. Downing, Lindsay E. Chaney, Dinesh K. Patel, Randolph E. Elmquist & Mark C. Hersam
Solution-processed graphene inks that use ethyl cellulose as a polymer stabilizer are blade-coated into large-area thin films. Following blade-coating, the graphene thin films are cured to pyrolyze the cellulosic polymer, leaving behind an sp2-rich amorphous carbon residue that serves as a binder in addition to facilitating charge transport between graphene flakes. Systematic charge transport measurements, including temperature-dependent Hall effect and non-contact microwave resonant cavity characterization, reveal that the resulting electrically percolating graphene thin films possess...

Starting-point independent quantum Monte Carlo calculations of iron oxide

joshua p townsend, sergio d pineda flores, raymond c clay III, thomas r mattsson, eric neuscamman, luning zhao, ronald e cohen & luke shulenburger

Ion‐Conductive, Viscosity‐Tunable Hexagonal Boron Nitride Nanosheet Inks

Ana C. M. Moraes, Woo Jin Hyun, Jung‐Woo T. Seo, Julia R. Downing, Jin‐Myoung Lim & Mark C. Hersam

Binding and excitations in SixHy molecular systems using quantum Monte Carlo

Guangming Wang, Abdulgani Annaberdiyev & Lubos Mitas
Dataset for "Binding and excitations in SixHy molecular systems using quantum Monte Carlo". Data is categorized by each molecule.

Ordering and structural transformations in layered KxCrO2 for K-ion batteries

Jonas L. Kaufman & Anton Van der Ven
The dataset contains VASP calculations for K-vacancy orderings in layered host structures of KxCrO2 enumerated using the CASM code (https://github.com/prisms-center/CASMcode), as well as some cluster expansion predictions and calculations of magnetic orderings.

Dataset for Structure, Morphology, and Rheology of Polyelectrolyte Complex Hydrogels Formed by Self-Assembly of Oppositely Charged Triblock Polyelectrolytes

Samanvaya Srivastava, Adam E. Levi, David J. Goldfeld & Matthew V. Tirrell
This dataset includes small angle X-ray scattering (SAXS) data from the Advanced Photon Source at Argonne National Laboratory. Data is organized by polymer length and polymer concentration in the hydrogels. See the accompanying excel file for details.

Thermal Conductivity of Oxide Tunnel Barriers in Magnetic Tunnel Junctions Measured by Ultrafast Thermoreflectance and Magneto-Optic Kerr Effect Thermometry

Hyejin Jang, Luca Marnitz, Torsten Huebner, Johannes Kimling, Timo Kuschel & David G. Cahill

Registration Year

  • 2020
    67

Resource Types

  • Dataset
    67

Affiliations

  • University of Chicago
    1
  • Argonne National Laboratory
    1