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Code and data for Phase Field Nucleation Benchmark written in Julia language. Repository corresponds to the results in "On the Effect of Nucleation Undercooling on Phase Transformation Kinetics" in IMMI Journal in 2022

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PF_Nucleation_Benchmark_Julia

Introduction and Motivation

This repository was inspired by a phase field benchmark described in PF Hub: https://pages.nist.gov/pfhub/benchmarks/benchmark8.ipynb/

The paper that was written describing this repository in full detail is published in the IMMI journal on November 3rd and is available here:

https://doi.org/10.1007/s40192-022-00284-1

https://arxiv.org/abs/2210.16866

This paper can be cited as such: Mancias, J., Attari, V., Arróyave, R. et al. On the Effect of Nucleation Undercooling on Phase Transformation Kinetics. Integr Mater Manuf Innov (2022). https://doi.org/10.1007/s40192-022-00284-1

Methods

This benchmark was solved and explored using Julia code with CUDA parallelization and finite difference solvers. The code and data are stored in this repository.

Code and Data

curv_nuc.jl is the pf code used to develop all the raw data found in this repository. Each part has a folder that corresponds to the data created for that part. In parts 2 and 3 there are additional folders where the data for different values of (inital radius / critical radius) are stored. There is also an additional folder labelled phi_domains which has the data for the full phi array at the time labelled in the title of the file.

Results

Part 1 data results Figure 1: Phase-field results for transformed fraction of a single seed (Problem I ) versus time. The inset shows the interface (φ = 0.5) at t = 90, for the four cases with ρ ≤ 1.1, as solid lines and the initial radius as black dash-dotted line. Part 2 data results Figure 2: Phase-field results of the site-saturation simulations (Problem II ) with two distinct critical radius values ρ = 1.1 and ρ = 2.2 combining 300 separate instances for each with different random location of the 25 initial seeds: (A) Transformed fraction versus time, showing global average (line and symbols) and statistical distribution (shaded background), (B) Volume fraction distribution at t = 20, (C) Volume fraction distribution at t = 100, (D) Avrami log-log plot, showing global average (line and symbols) and statistical distribution (shaded background), (E) Distribution of Avrami exponents fitted individually to the 300 simulations, (F) Spatiotemporal map showing the curvature of the particles at the interface as they grow at t = 0, 40, 80, 120, 160, 200 for one simulation with ρ = 1.1. Part 3 data results Figure 3: Phase-field results of the continuous nucleation simulations (Problem III ) with two distinct critical radius values ρ = 1.1 and ρ = 2.2 combining 300 separate instances for each with different random location of the 25 initial seeds: (A) Transformed fraction versus time, showing global average (line and symbols) and statistical distribution (shaded background), (B) Volume fraction distribution at t = 100, (C) Volume fraction distribution at t = 250, (D) Avrami log-log plot, showing global average (line and symbols) and statistical distribution (shaded background), (E) Distribution of Avrami exponents fitted individually to the 300 simulations, (F) Spatiotemporal map showing the curvature of the particles at the interface as they grow at t = 0, 50, 100, 150, 200, 250, 300 for one simulation with ρ = 1.1.

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Code and data for Phase Field Nucleation Benchmark written in Julia language. Repository corresponds to the results in "On the Effect of Nucleation Undercooling on Phase Transformation Kinetics" in IMMI Journal in 2022

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