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Coarsening in 3D at Volume Fractions 30%-36%
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This dataset contains results of phase field simulations of coarsening with constant mobility, isotropic interfacial energy, and compositions with nominal volume fractions of 30%, 32%, 34%, and 36%. The types of data included for all four simulations are raw simulation output, interfacial shape distributions (ISDs), and a spreadsheet containing the time evolution of characteristic quantities of the structure. Additional types of data provided for selected structures include the radially-averaged autocorrelations of the segmented phases and the interfacial mean curvature (32% and 36%) and the radially-averaged structure factor of the phase field (36%). In files that contain data from a single simulation time, simulation time is typically indicated in the filename by the iteration number (i.e., the simulation time divided by the time step size, which is 0.05). The authors acknowledge funding from the US Department of Energy (DE-SC0015394, DE-FG02-99ER45782) and the Natural Sciences and Engineering Research Council of Canada (NSERC PGSD3-516809-2018), and computational resources from NSF XSEDE (OCI-1053575, Allocation: TG-DMR110007), and University of Michigan Advanced Research Computing. |
Beck Andrews |
3 years ago |
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Coarsening of Particles with Bimodal Size Distribution, 2-D Phase Field Dataset
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This dataset contains the results of a numerical experiment to test the relationship between morphological self-similarity and dynamic scaling during coarsening using an initial structure with distinct populations of large and small particles. The small particles coarsened self-similarly, so agreement with the t^(1/3) dynamic scaling law was observed despite a lack of self-similarity of the overall structure due to the slow evolution of the large particles. The dataset contains raw simulation output and characterization results. Additional details regarding the generation of this dataset are contained in our paper located at https://doi.org/10.1038/s41598-018-36354-8. The authors acknowledge support from the U.S. Department of Energy, Basic Energy Science, DE-FG02-99ER45782. Computational resources were provided by the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation grant number OCI-1053575, under allocation No. TG- DMR110007, as well as the University of Michigan Advanced Research Computing. University of Michigan |
Beck Andrews |
4 years ago |
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Composition and Morphology of an Isolated Mg-Nd β''' Precipitate
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This dataset includes the outputs of a series of simulations of isolated β''' precipitates in an Mg-Nd alloy. The simulations were conducted using the open source PRISMS-PF phase field code. The output files are in the *.vtu format, readable by programs such as VisIt and ParaView. Please note, the meta-data provided may be updated over time. We reserve the right to update this data without notification. If you would like to be notified of changes please email Steve DeWitt at stvdwtt@umich.edu. U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences, Award Number DE-SC0008637 University of Michigan |
Stephen Dewitt |
4 years ago |
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Coarsening in 3D at 50% Volume Fraction with Dissimilar Mobilities
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Dataset contains results of two phase field simulations of coarsening where the Cahn-Hilliard mobility differs by a factor of 100 between the two phases. Interfacial energy is isotropic, and the nominal volume fractions of the phases are 50%-50%. The two simulations represent different initial conditions for coarsening. The simulation "Random noise initial condition" was initialized from random noise and simulated with dissimilar mobilities for its entire duration. In the simulation "Phase-separated initial condition", phase separation and early coarsening (within the first 2e5 iterations) were simulated with constant mobility, and subsequent coarsening was simulated with dissimilar mobilities. These two conditions resulted in different in initial morphologies and transient evolution. The types of data included are raw simulation output, interfacial shape distributions (ISDs), and a spreadsheet of characteristic quantities for the structure. Details regarding the simulation and characterization methods can be found in our paper located at https://doi.org/10.1016/j.commatsci.2019.109418. The authors acknowledge support from the US Department of Energy under Grant No. DE-SC0015394. |
Beck Andrews |
1 year ago |
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Coarsening in 3D at 50% Volume Fraction
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This dataset contains the results of a phase field simulation of phase separation and coarsening with constant mobility, isotropic interfacial energy, and 50%-50% volume fractions of the phases. The types of data included are raw simulation output, the radially-averaged structure factor of the phase field, the radially-averaged autocorrelations of the segmented phases and the interfacial mean curvature, interfacial shape distributions (ISDs), and a spreadsheet containing the time evolution of characteristic quantities of the structure. In files that contain data from a single simulation time, this time is indicated in the filename by the iteration number (i.e., the simulation time divided by the time step size, which is 0.05). Additional details regarding the simulation and characterization methods can be found in our paper located at https://doi.org/10.1016/j.commatsci.2019.109418. The authors acknowledge support from the US Department of Energy under Grant No. DE-SC0015394.. The authors acknowledge funding from the US Department of Energy (DE-SC0015394, DE-FG02-99ER45782) and the Natural Sciences and Engineering Research Council of Canada (NSERC PGSD3-516809-2018), and computational resources from NSF XSEDE (OCI-1053575, Allocation: TG-DMR110007), and University of Michigan Advanced Research Computing. |
Beck Andrews |
3 years ago |
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Coarsening in 2D at 50% Volume Fraction with Dissimilar Mobilities
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Dataset contains results of a 2-D phase field simulation of phase separation and coarsening where the Cahn-Hilliard mobility differs by a factor of 100 between the phases. Interfacial energy is isotropic, and the nominal volume fractions of the phases are 50%-50%. The types of data included are raw simulation output, interfacial shape distributions (ISDs), and a spreadsheet of characteristic quantities for the structure. Details regarding the simulation and characterization methods can be found in our paper located at https://doi.org/10.1016/j.commatsci.2019.109418. The authors acknowledge support from the US Department of Energy under Grant No. DE-SC0015394. |
Beck Andrews |
4 years ago |
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Simulated Morphology of a Pair of β''' Precipitates
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This dataset includes the output of a simulation of a pair of nearby β''' precipitates in an Mg-Nd alloy. The simulation was conducted using the open source PRISMS-PF phase field code. The output files are in the *.vtu format, readable by programs such as VisIt and ParaView. Please note, the meta-data provided may be updated over time. We reserve the right to update this data without notification. If you would like to be notified of changes please email Steve DeWitt at stvdwtt@umich.edu. U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences, Award Number DE-SC0008637 University of Michigan |
Stephen Dewitt |
4 years ago |
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Coarsening of Complex Microstructures via Surface Diffusion
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Dataset contains results of phase field simulations of coarsening via surface diffusion conducted using the model proposed by Rätz, Ribalta, and Voigt (2006) with isotropic interfacial energy. Compositions with equilibrium volume fractions of 32%, 36%, and 50% were simulated. The types of data included are raw simulation output, interfacial shape distributions (ISDs), radially averaged autocorrelations of the phase and the interfacial mean curvature, and spreadsheets describing the evolution of characteristic morphological and topological quantities during each simulation. For the 32% case, additional data is included that characterizes particles that detach from and reattach to the main structure. For the 36% and 50% cases, the radially-averaged structure factor of the phase field is provided. The authors acknowledge funding from the US Department of Energy (DE-SC0015394, DE-FG02-99ER45782) and the Natural Sciences and Engineering Research Council of Canada (NSERC PGSD3-516809-2018), and computational resources from NSF XSEDE (OCI-1053575, Allocation: TG-DMR110007), and University of Michigan Advanced Research Computing. |
Beck Andrews |
3 years ago |
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Coarsening via Surface Diffusion with a Solubility-Permitting Model
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This dataset contains results of a coarsening simulation using the Cahn-Hilliard model with a concentration-dependent mobility that reduces mass transport away from the diffuse interface. This model does not modify the Gibbs-Thomson effect that normally exists in the Cahn-Hilliard model, and thus concentrations in the bulk are affected by the curvature of nearby interfaces (hence the designation 'solubility-permitting'). The simulation was conducted with isotropic interfacial energy and a nominal volume fractions of 36%. The types of data included are raw simulation output, interfacial shape distributions (ISDs), and spreadsheets containing the time evolution of characteristic quantities of the structure. In files that contain data from a single simulation time, simulation time is typically indicated in the filename by the iteration number (i.e., the simulation time divided by the time step size, which is 0.05). The authors acknowledge funding from the US Department of Energy (DE-SC0015394) and computational resources from NSF XSEDE (OCI-1053575, Allocation: TG-DMR110007), and University of Michigan Advanced Research Computing. |
Beck Andrews |
4 years ago |
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PRISMS-PF: A General Framework for Phase-Field Modeling with a Matrix-Free Finite Element Method
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Stephen Dewitt |
4 years ago |
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Verification and sensitivity analyses of phase field simulations of recrystallization
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This dataset contains the fraction recrystallized over time for 11 simulations of recrystallization and grain growth. A spreadsheet is provided which has the fraction recrystallized and nominal simulation time (outputs from phase field simulations) and corrected times for all data. The data is from two-dimensional (2D) and three-dimensional (3D) phase field simulations of recrystallization and grain growth. These simulations are as follows: six 2D simulations with different seed locations, one 3D simulation, two additional simulations with different initial conditions (changing dislocation density and grain boundaries), and two simulations for four sets of stored energy and grain boundary energy. This work was funded by a grant from the United States' Office of Naval Research (ONR Grant N00014-12-1-0013). Computational resources and services were provided by Advanced Research Computing at the University of Michigan, Ann Arbor, MI, USA and the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation grant number ACI-1053575. University of Michigan |
spgentry@ucdavis.edu |
2 days ago |
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Misfit-Driven B''' Precipitate Composition and Morphology in Mg-Nd Alloys
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U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering (Award #DE-SC0008637) University of Michigan |
Ellen Sitzmann |
4 years ago |
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CHiMaD Nucleation Benchmark Problem Set
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Dataset for the Phase Field simulations performed using the PRISMS-PF framework for Benchmark Problem 8 of the PFHub community: https://pages.nist.gov/pfhub/benchmarks/benchmark8.ipynb/ |
David Montiel |
3 years ago |