PFHub is a community effort spearheaded by the Center for Hierarchical Materials Design at Northwestern University and the National Institute of Standards and Technology in support of phase-field code development. The current PFHub deployment focuses on improving
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geometry | |
{ | |
import_mesh false ; Use built-in mesh generator | |
dim 3 ; dimension of the domain | |
length 1.0e-3 ; [m] | |
height 1.0e-3 ; [m] In 3D, the third parameters is width | |
width 1.0e-3 | |
length_divisions 2 ; Number of cell layers in the length direction | |
height_divisions 2 ; Number of cell layers in the height direction | |
width_divisions 2 |
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--- | |
crate-directory: crate1 | |
title: "Phase Field Simulation: Homogeneous Nucleation Benchmark No.8a" | |
description: "An example of generating an ro-crate from a PFHub result, for now this is only focused on the computational platform, environment and implementation" | |
specification: | |
identifier: https://raw.githubusercontent.com/usnistgov/pfhub/master/benchmarks/benchmark8.ipynb | |
description: >- | |
Phase field modeling of nucleation has a long history and is | |
covered in a number of reviews (Gránásy 2002, Castro 2003, Simmons | |
2004, Gránásy 2007, Warren 2009, Heo 2014, Gránásy 2019). The |
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--- | |
- https://raw.githubusercontent.com/usnistgov/pfhub/master/_data/simulations/moose_1a_mpf/meta.yaml |
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time | elastic_free_energy | bulk_free_energy | gradient_free_energy | total_free_energy | |
---|---|---|---|---|---|
0.1 | 3.1960092957607 | 5.50418337583582 | 32.6316167850002 | 41.3318094565967 | |
0.15 | 3.15384589098048 | 6.37432480102649 | 8.76450884935825 | 18.2926795413652 | |
0.175 | 3.13439262479407 | 6.75062575714681 | 6.91356034784629 | 16.7985787297872 | |
0.1875 | 3.13313650467628 | 6.79223241580234 | 6.55124777757963 | 16.4766166980582 | |
0.2125 | 3.13046779871152 | 6.80437895028145 | 6.4178821164211 | 16.3527288654141 | |
0.225 | 3.12767793330717 | 6.85808214803013 | 6.16882064285501 | 16.1545807241923 | |
0.25 | 3.1260404392239 | 6.87545236358091 | 6.06964315449575 | 16.0711359573006 | |
0.3 | 3.12357092386077 | 6.91670698714666 | 5.88771735738057 | 15.927995268388 | |
0.325 | 3.11899850834953 | 6.98368917635987 | 5.60388918638035 | 15.7065768710898 |

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Time | Total_Energy | |
---|---|---|
0 | 31.8836358700855 | |
0.5 | 31.8780266159218 | |
1 | 31.8663557314585 | |
1.5 | 31.8527488083688 | |
2 | 31.8367198752642 | |
2.5 | 31.8176605138186 | |
3 | 31.7947834904883 | |
3.5 | 31.7670665545969 | |
4 | 31.7331808031587 |
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time | Total_Free_energy | |
---|---|---|
0 | 319.043839401225 | |
0.1 | 319.034501426274 | |
0.25 | 319.006644735946 | |
0.475 | 318.962852105183 | |
0.8125 | 318.892140737786 | |
1.31875 | 318.773283587044 | |
2.078125 | 318.560187916107 | |
3.2171875 | 318.134354088041 | |
4.92578125 | 317.099985315468 |
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misc | |
dask-worker-space | |
.local |
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time_step | L2_error | |
---|---|---|
3.600000E-03 | 2.546636E-04 | |
2.160000E-03 | 2.500220E-04 | |
1.296000E-03 | 2.453652E-04 | |
7.776000E-04 | 2.448922E-04 | |
4.665600E-04 | 2.447349E-04 | |
2.799360E-04 | 2.451709E-04 | |
1.679616E-04 | 2.456623E-04 |
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