43 Works

S200 SiC/SiC Seral Section Data and Fiber Chirality Codes with Tutorial

Samuel Sherman, Jeff Simmons & Craig Przybyla
The contents of this publication include a tutorial to approximate the chirality, or twist, of fibers in a fiber reinforced ceramic matrix composite. There is a sample dataset that contains images of a SiC matrix composite with SiC reinforcement fibers. The MATLAB code performs the velocity gradient analysis and visualizes the results of this analysis. In the near future, the authors intend on publishing a paper about the derivation of the applied methods, which will...

In-situ XCT dataset for \"Insights from in-situ X-ray computed tomography during axial impregnation of unidirectional fiber beds\" and \"X-ray computed tomography of microstructure evolution during matrix impregnation and curing in unidirectional fiber beds\"

Natalie M. Larson & Frank W. Zok
The dataset consists of X-ray Computed Tomography (XCT) scans and complementary data (see metadata) for observation of microstructure evolution during impregnation of a preceramic polymer in unidirectional fiber beds.

Interparticle Interactions in Dilute Solutions of Polyelectrolyte Complex Micelles

Hao Wu, Jeffrey M. Ting, Thomas M. Weiss & Matthew V. Tirrell
Files include background subtracted small angle X-ray scattering (SAXS) data from the Stanford Synchrotron Radiation Lightsource at SLAC National Accelerator Laboratory. Data is organized by PEO-PVBTMA/PAA polyelectrolyte complex micelles at investigated concentrations.

Training and Validation Dataset of MgAl2O4 SEM Fracture Images for \"Toward Quantitative Fractography Using Convolutional Neural Networks\"

Stylianos Tsopanidis & Shmuel Osovski
This is a dataset of SEM fracture images for training and validation of deep learning algorithms. The fracture surfaces of the MgAl2O4 ceramic material can be used to train a convolutional neural network for identifying the intergranular and transgranular fracture modes. European Union's Horizon2020 Programme (Excellent Science, Marie-Sklodowska-Curie Actions) under REA grant agreement 675602 (Project OUTCOME) Contact: Stylianos Tsopanidis or Shmuel Osovski

AFRL AM Modeling Challenge Series: Challenge 1 Data Package

William D. Musinski, Paul A. Shade, Jun-Sang Park, Andrew Chihpin Chuang, Edwin J. Schwalbach, Jonathan D. Miller, Michael A. Groeber & Marie E. Cox

Dataset for Discovery of Self-Assembling π-Conjugated Peptides by Active Learning-Directed Coarse-Grained Molecular Simulation

Kirill Shmilovich, Rachael A. Mansbach, Hythem Sidky, Olivia E. Dunne, Sayak Subhra Panda, John D. Tovar & Andrew L. Ferguson
This dataset contains 186 molecular dynamics simulation trajectories of coarse-grained pi-conjugated peptides in the Asp-X-X-X-(oligophenylenevinylene)3-X-X-X-Asp (DXXX-OPV3-XXXD) family, where X denotes one of the 20 natural amino acids. The oligopeptide wings are constrained to be mirror-symmetric both in the identity of the amino acids and the N-to-C directionality such that each molecule possesses two C-termini. These trajectories were generated during an active learning search for the peptide sequences that yield structurally optimal self-assembled pseudo-1D nanoaggregates with...

First DOI Test

Jim Pruyne

Dataset for Variational Excitations in Real Solids: Optical Gaps and Insights into Many-Body Perturbation Theory

Luning Zhao & Eric Neuscamman
This is the dataset for paper "Variational Excitations in Real Solids: Optical Gaps and Insights into Many-Body Perturbation Theory", accepted by Phys. Rev. Lett. on June 13th, 2019.

Organic Crystals in Electronic and Light-Oriented Technologies (OCELOT) Database v0.01

Qianxiang Ai, Sean Ryno & Chad Risko
OCELOT is an online archive for Organic Crystals in Electronic and Light-Oriented Technologies.

Reciprocal Space Imaging of Ionic Correlations in Intercalation Compounds

Raymond Osborn, Matthew Krogstad, Stephan Rosenkranz, Justin Wozniak, Jacob Ruff, Vaughey John & Guy Jennings
These files contain data sets used in the 3D ΔPDF analysis of Na0.45V2O5, reported in “Reciprocal Space Imaging of Ionic Correlations in Intercalation Compounds” by Krogstad et al. that is being published in Nature Materials. For further information, contact Ray Osborn (rosborn@anl.gov). The files stored here are NeXus files (extension .nxs). These are HDF5 files that conform to the NeXus format (http://www.nexusformat.org). These may be opened in any generic HDF5 viewer, but it is easiest...

Dataset for the paper \"Local structure of potassium doped nickel oxide: a combined experimental-theoretical study\"

Friederike Wrobel, Hyeondeok Shin, George E. Sterbinsky, Haw-Wen Hsiao, Jian-Min Zuo, Panchapakesan Ganesh, Jaron T. Krogel, Anouar Benali, Paul R.C. Kent, Olle Heinonen & Anand Bhattacharya
Dataset for the paper "Local structure of potassium doped nickel oxide: a combined experimental-theoretical study", Friederike Wrobel, Hyeondeok Shin, George E. Sterbinsky, Haw-Wen Hsiao, Jian-Min Zuo, Panchapakesan Ganesh, Jaron T. Krogel, Anouar Benali, Paul R.C. Kent, Olle Heinonen, and Anand Bhattacharya, Physical Review M (2019).

Raw Images for Semantic Segmentation of Dendrites via Machine Learning

Tiberiu Stan, Zach Thompson & Peter Voorhees
Raw images from the training, validation, and test sets used to train dendrite neural nets

Heusler Structure Magnetic Shape Memory Alloys - Shape Memory Design Lab

Brian J. Blankenau & Elif Ertekin
Dataset of total energies and magnetic properties of Heusler structure shape memory alloys generated from density functional theory calculations

Virtual Excited State Reference for the Discovery of Electronic Materials (VERDE Materials DB)

Biruk Abreha, Fatemah Mukadum, Snigdha Agarwal, Patrick Neal & Steven Lopez

XCT dataset for \"In-situ 3D visualization of composite microstructure during polymer-to-ceramic conversion\"

Natalie M. Larson & Frank W. Zok
The dataset consists of X-ray Computed Tomography (XCT) scans and complementary data (see metadata) for observation of composite microstructure during polymer-to-ceramic conversion.

Dataset for \"A new generation of effective core potentials from correlated calculations: 4s and 4p main group elements and first row additions\"

Guangming Wang, Abdulgani Annaberdiyev, Cody A. Melton, M. Chandler Bennett, Luke Shulenburger & Lubos Mitas
Data is included for K, Ca, Ga, Ge, As, Se, Br, Kr and other selected elements (H, He, Li, Be, F, Ne). Included are various directories including atomic and molecular data for various ECPs. Within each atom or molecule directory, we include data for the all-electron, uncorrelated core, and various ECPs considered in the paper. Additionally, "data_csv" contains molecular binding curves for a given basis set as csv files.

Short-Range Order Structure Motifs Learned from an Atomistic Model of a Zr50Cu45Al5 Metallic Glass

Jason J. Maldonis, Arash Dehghan Banadaki, Srikanth Patala & Paul M. Voyles
Classical molecular dynamics trajectories for Zr50Cu45Al5 metallic glass as a function of temperature during cooling. Analysis of the atomic positions using motif extraction and point pattern matching. Resulting motifs describing the short-range order of the glass.

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