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Simulation input, output, visualization scripts, and visualizations created f...
Polycrystal models binary allows of MgSn and MgCa. Input geometries and meshes were generated using Neper. Input orientations were generated using MTex in Matlab. Simulations... -
Solution strengthening predictions
Summary of our solid solution strengthening calculations, along with expressions that can be used to predict yield stress changes for (10-11) compression twinning (CT1) edge... -
Solute interactions with the pyramidal-II stacking fault
DFT-optimized structures of the pyramidal-II stacking fault with a solute in different atomic layers near the fault plane. The dataset include the VASP input files (except... -
Solute interactions with the (10-12) tension twin boundary
DFT-optimized structures of the (10-12) tension twin boundary with a solute at different sites near the boundary. The dataset include the VASP input files (except POTCAR) and... -
Solute interactions with the (10-11) compression twin boundary
DFT-optimized structures of the (10-11) compression twin boundary with a solute at different sites near the boundary. The dataset include the VASP input files (except POTCAR)... -
Solute size misfits
DFT-computed size misfits for 64 solute species in hcp Mg. The dataset includes the VASP input files (except POTCAR) and output files OSZICAR and OUTCAR, a script to compute the... -
Solute interactions with the <c+a> edge dislocation
Core structures of the edge dislocation with an Al, Ca, Mn, or Sn solute at different sites in the core. The dataset include the VASP input files (except POTCAR) and output... -
Solute interactions with the <c+a> screw dislocation
No solute-dislocation interaction calculations were performed. -
Solute interactions with the (10-11) twinning edge dislocation
DFT-optimized core structures of the (10-11) twinning edge dislocation with an Al or Ca solute at different sites in the core. The dataset include the VASP input files (except... -
<c+a> screw dislocation
DFT-optimized core structure of the screw dislocation. The dataset include the VASP input files (except POTCAR) and output files OSZICAR and OUTCAR. -
<c+a> edge dislocation
DFT-optimized core structure of the edge dislocation. The dataset include the VASP input files (except POTCAR) and output files OSZICAR and OUTCAR. -
(10-11) twinning edge dislocation
DFT-optimized core structure of the (10-11) twinning edge dislocation. The dataset include the VASP input files (except POTCAR) and output files OSZICAR and OUTCAR. -
Crystal plasticity-based simulation of cross-forming
Simulations of cross-forming with crystal plasticity for EFORM+ Batch#1 at constant temperature and strain rate (200C, 0.01s-1) -
CALPHAD calculation of Alloy 2
CALPHAD prediction of solidification microstructure and diffusion simulation in Alloy 2. -
Mixing enthalpy of various equiatomic pairs in Mg (hcp) matrix
Calculation of mixing enthalpy of various equiatomic pairs in Mg (hcp) matrix -
Diffusion modeling of solutes in Alloy 2 plus
Diffusion modeling of solutes Al, Zn, Ca, Ce and Mn in Mg (hcp) using DICTRA software -
CALPHAD prediction of solidification microstructure
CALPHAD prediction of solidification microstructure and optimized thermomechanical processes for producing ZAXME11100 sheet alloy -
Input for Material Card 233+
This file is the inout deck for Material Card 233+ that is calibrated for Batch 1 at 200oC and 0.1s-1. -
Summary of numerical problems during mesh regularization for MAT233 calibration
Document explains the various numerical problems that were encountered during mesh regularization and calibration of MAT233 -
Simulations of various strain paths with crystal plasticity for Batch_ONE
Crystal plasticity simulations (for Batch_ONE at 200oC) of: - Balanced biaxial tension - Uniaxial compression along RD - Plane strain tension along RD and TD - Simple shear...
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These Terms of Use (“Terms”) are between you and Battelle Memorial Institute, Pacific Northwest Division BATTELLE (“BATTELLE”, “we”, or “us”) and govern your access to and use of the LightMat DataHub website (“Website”), which is provided by BATTELLE as Management and Operating Contractor of the Pacific Northwest National Laboratory (“PNNL”) on behalf of the United States Department of Energy. By accessing or using the Website, you agree to be bound by these Terms. If you are accepting these Terms on behalf of another legal entity, including your employer, another business, a government, etc., you represent that you have full legal authority to bind such entity to these terms. If you do not agree to these Terms, you must not use this Website.
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You must not to use the names of the U.S. Government, the U.S. Department of Energy, the Pacific Northwest National Laboratory, Battelle Memorial Institute , or the provider(s) of any data available via this Website to endorse or promote any product, service, or entity without specific prior written authorization from such entity.
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THIS WEBSITE AND ANY DATA AVAILABLE VIA THE WEBSITE ARE PROVIDED “AS IS” AND “AS AVAILABLE” WITHOUT WARRANTIES OF ANY KIND, EITHER EXPRESS OR IMPLIED, INCLUDING, BUT NOT LIMITED TO, IMPLIED WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE, AND NON-INFRINGEMENT. BATTELLE, THE UNITED STATES GOVERNMENT, AND ANY THIRD-PARTY PROVIDERS OF DATA AVAILABLE VIA THE WEBSITE DO NOT WARRANT THAT THE WESBITE OR ANY DATA AVAILABLE VIA THE WEBSITE IS ACCURATE, COMPLETE, RELIABLE, CURRENT, OR ERROR FREE. BATTELLE DOES NOT CONTROL, ENDORSE, OR TAKE RESPONSIBILITY FOR ANY THIRD-PARTY DATA PROVIDED VIA THE WEBSITE OR THE ACTIONS OF ANY THIRD PARTY OR USER. WHILE BATTELLE ATTEMPTS TO MAKE YOUR ACCESS TO AND USE OF THE WEBSITE SAFE, BATTELLE DOES NOT REPRESENT OR WARRANT THAT THE WEBSITE OR SERVERS ARE FREE OF VIRUSES OR OTHER HARMFUL COMPONENTS. NEITHER BATTELLE NOR ANY THIRD-PARTY PROVIDERS OF DATA AVAILABLE VIA THE WEBSITE HAVE ANY OBLIGATION TO PROVIDE UPDATES, SUPPORT, CONSULTING, TRAINING, OR ASSISTANCE OF ANY KIND WHATSOEVER WITH REGARD TO ANY DATA AVAILABLE VIA THE WEBSITE OR USE THEREOF.
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GENERAL
Any reference included in this Website to any specific commercial products, process, or service by trade name, trademark, manufacturer, or otherwise, does not necessarily constitute or imply its endorsement, recommendation, or favoring by the U.S. Government, PNNL, or BATTELLE. The views and opinions expressed on the Website or in any information or data available via the Website do not necessarily represent the views of the U.S. Government or BATTELLE.
Unless otherwise specified, the Website and any information or data available via the Website are presented solely for use and access from within the United States, its territories, possessions, and protectorates. BATTELLE makes no representation or warranty of any kind that the Website or any data available via the Website is appropriate or available for use in other locations. If you access the Website from a location other than the United States, you alone are responsible for compliance with any applicable local laws.
These Terms and any posted rules on the Website constitute the entire agreement of the parties with respect to the subject matter hereof. No waiver by BATTELLE of any breach or default under these Terms will be deemed to be a waiver of any preceding or subsequent breach or default. These Terms will be binding upon and inure to the benefit of BATTELLE and its successors, trustees, and permitted assignees. BATTELLE may assign this agreement or any of its rights or obligations under these Terms with or without notice to you.
