CHiMaD Hackathon 2

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Center for Hierarchical Materials Design

Group 5Karim Ahmed, Idaho National LaboratorySudipta Biswas, Purdue University

Team Lead: Daniel Schwen & Larry Aagesen, Idaho National Laboratory

CHiMaD Phase Field Methods Workshop III & HackathonMAY 3-5, 2016

Question 1

Q1 Dendritic growth-Sharp Vs Diffuse interface description

Energy balance in the bulk phasesInterfacial energy balance (Stefan/Jump condition)Dynamical Gibbs-Thomson condition The sharp-interface model leads to the following free/moving boundary problemThe diffuse-interface model is constructed as

CHiMaD Phase Field Methods Workshop III & Hackathon MAY 3-5, 2016

Q1 Moose implementation

The diffuse-interface model is constructed asTimeDerivativeCoefCoupledTimeDerivativeDiffusionModifiedTimeDerivativeACInterfaceKobayashiDerivativeParsedMaterial

CHiMaD Phase Field Methods Workshop III & Hackathon MAY 3-5, 2016

Q1 Movie of Evolution

Four-fold symmetrySix-fold symmetry

CHiMaD Phase Field Methods Workshop III & Hackathon MAY 3-5, 2016

Q1 Movie of Evolution-Adaptivity

CHiMaD Phase Field Methods Workshop III & Hackathon MAY 3-5, 2016

Q1 Tip Velocity vs Time

The tip velocity should be calculated by tracking the interface position with time, it can also be directly calculated from the Stefan/Jump condition at the interface

The interface position can be identified by a contour value of the phase-field variable or its gradient. These kernels are now work on progress! Here, weSimply used an effective radius and its derivative

CHiMaD Phase Field Methods Workshop III & Hackathon MAY 3-5, 2016

Question 2

Q2 Workflow (flowchart)

CHiMaD Phase Field Methods Workshop III & Hackathon MAY 3-5, 2016

Q2 3D representation of result

CHiMaD Phase Field Methods Workshop III & Hackathon MAY 3-5, 2016

Q2 Measurement of Aspect Ratio along principal directionsLineValueSampler postprocessor used across the principal axes

y-axisTime Stepx-axisAxis Length (nm)

CHiMaD Phase Field Methods Workshop III & Hackathon MAY 3-5, 2016

2D Evolution

CHiMaD Phase Field Methods Workshop III & Hackathon MAY 3-5, 2016

Q2 Energy vs Time (Plot)

Total EnergyTime

Time Stepdt

CHiMaD Phase Field Methods Workshop III & Hackathon MAY 3-5, 2016

ConclusionConvergence issuesPeriodic boundary condictionsIntroduced one non-conservative order parameters

CHiMaD Phase Field Methods Workshop III & Hackathon MAY 3-5, 2016