Phase Field Software Design Description

Introduction

The Software Design Description (SDD) for Phase Field is a description of the software product and serves as guideline that describes the architecture of the system and all of its parts.

Dependencies

The Phase Field application is developed using MOOSE and is based on various modules, as such the SDD for Phase Field is dependent upon the following documents.

Requirements Cross Reference

The following is a list of all design documents and the associated requirements for Phase Field.

  • phase_field: GBAnisotropy
  • 8.5.1A material shall be provided to compute anisotropic grain boundary energies and mobilities.

    Specification(s): test1

    Design: GBAnisotropy

    Issue(s): #4580

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.5.2A material shall be provided to compute anisotropic grain boundary energies and mobilities.

    Specification(s): test2

    Design: GBAnisotropy

    Issue(s): #4580

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.5.3A material shall be provided to compute anisotropic grain boundary energies and mobilities with an inclination dependence.

    Specification(s): test3

    Design: GBAnisotropy

    Issue(s): #4580

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • phase_field: GBWidthAnisotropy
  • 8.5.4The anisotropic grain boundary system shall allow the user to specify grain boundary widths independently for each interface between grains.

    Specification(s): testwidth1

    Design: GBWidthAnisotropy

    Issue(s): #8079

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • phase_field: KKSCHBulk
  • 8.8.2A non-split version of the Kim-Kim-Suzuki shall be provided

    Specification(s): kks_example

    Design: KKSCHBulk

    Issue(s): #4835

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • phase_field: ACMultiInterface
  • 8.10.10Moose shall provide an Allen-Cahn gradient energy kernel with cross term contributions

    Specification(s): acmultiinterface

    Design: ACMultiInterface

    Issue(s): #4545

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.10.11Moose shall provide an Allen-Cahn gradient energy kernel with cross term contributions, and some order parameters may be aux variables

    Specification(s): acmultiinterface_aux

    Design: ACMultiInterface

    Issue(s): #4545

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • phase_field: MultiSmoothCircleIC
  • 8.11.1We shall be able to generate multiple smooth circle initial conditions with uniform radius variation type

    Specification(s): multi_test

    Design: MultiSmoothCircleIC

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.11.2We shall be able to generate multiple smooth circle initial conditions with normal radius variation type

    Specification(s): multi_normal_test

    Design: MultiSmoothCircleIC

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • phase_field: LatticeSmoothCircleIC
  • 8.11.3We shall be able to produce a lattice of smooth circle initial conditions, allowing the circles to exist on the simulation cell boundaries and using a uniform radius variation type

    Specification(s): lattice_bounds

    Design: LatticeSmoothCircleIC

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.11.4We shall be able to produce a lattice of smooth circle initial conditions, using a uniform radius variation type

    Specification(s): lattice_test

    Design: LatticeSmoothCircleIC

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.11.5We shall be able to produce a lattice of smooth circle initial conditions using a normal radius variation type

    Specification(s): lattice_normal_test

    Design: LatticeSmoothCircleIC

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.11.6We shall be able to create multiple SpecifiedSmoothCircleICs with a small invalue

    Specification(s): lattice_small_invalue_test

    Design: LatticeSmoothCircleIC

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • phase_field: DiscreteNucleationData
  • 8.12.10The nucleation data porocessor shall return the number of currently active nuclei or whether a change to the nucleus list has occurred

    Specification(s): data

    Design: DiscreteNucleationData

    Issue(s): #12114

    Collection(s): FUNCTIONAL

    Type(s): CSVDiff

  • phase_field: DiscreteNucleationFromFile
  • 8.12.13The discrete nucleation system shall provide a deterministic nucleus inserter that uses tabulated time and location data from a file. This test assigns fixed radius

    Specification(s): file

    Design: DiscreteNucleationFromFile

    Issue(s): #12262

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.12.14The discrete nucleation system shall provide a deterministic nucleus inserter that uses tabulated time and location data from a file. This test assigns variable radius

    Specification(s): file2

    Design: DiscreteNucleationFromFile

    Issue(s): #14544

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • phase_field: SoretDiffusion
  • 8.15.1A temperature gradient driving force for diffusion shall be added to the split form of the Cahn-Hilliard equation.

    Specification(s): split

    Design: SoretDiffusion

    Issue(s): #5324

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.15.2A temperature gradient driving force for diffusion shall be added to the split form of the Cahn-Hilliard equation, where temperature is a coupled non-linear variable

    Specification(s): split_temp

    Design: SoretDiffusion

    Issue(s): #5324

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.15.3A temperature gradient driving force for diffusion shall be added to the non-split form of the Cahn-Hilliard equation.

    Specification(s): direct

    Design: SoretDiffusion

    Issue(s): #5324

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.15.4A temperature gradient driving force for diffusion shall be added to the non-split form of the Cahn-Hilliard equation, where temperature is a coupled non-linear variable

    Specification(s): direct_temp

    Design: SoretDiffusion

    Issue(s): #5324

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • phase_field: TotalFreeEnergy
  • 8.17.1We shall be able to calculate the free energy (with one variable) using an AuxKernel

    Specification(s): TotalFreeEnergy

    Design: TotalFreeEnergy

    Issue(s): #4413

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.17.2We shall be able to calculate the free energy (with two variables) using an AuxKernel

    Specification(s): 2var

    Design: TotalFreeEnergy

    Issue(s): #4413

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • phase_field: GrainGrowthAction
  • 8.18.13The phase field module shall provide an action to set up grain growth problems

    Specification(s): grain_growth

    Design: GrainGrowthAction

    Issue(s): #9485

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.18.14The action to set up grain growth problems shall be able to set up an AD version of the problem which yields the same results as the non-AD version

    Specification(s): ad_grain_growth

    Design: GrainGrowthAction

    Issue(s): #13539

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.18.15The action to set up grain growth problems shall be able to set up an AD version of the problem which yields the same results as the non-AD version

    Specification(s): ad_grain_growth-jac

    Design: GrainGrowthAction

    Issue(s): #13539

    Collection(s): FUNCTIONAL

    Type(s): PetscJacobianTester

  • 8.18.16The grain growth action shall have the ability to set up problems with a pinning particle

    Specification(s): grain_growth_with_c

    Design: GrainGrowthAction

    Issue(s): #9485

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.18.17The grain growth action shall have the ability to set up problems with a temperature gradient

    Specification(s): grain_growth_with_T_grad

    Design: GrainGrowthAction

    Issue(s): #9485

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.37.4A capability to initialize polycrystal phase field variables from a file mesh shall be provided through the GrainGrowth action

    Specification(s): GrainGrowth_initial_from_file

    Design: GrainGrowthAction

    Issue(s): #13624

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • phase_field: Coupleable
  • 8.19.1The phase field module shall be able to compute the gradient of the rate of the variable using automatic differentiation.

    Specification(s): diffusionrate

    Design: Coupleable

    Issue(s): #16167

    Collection(s): FUNCTIONAL

    Type(s): CSVDiff

  • phase_field: ADMatReaction
  • 8.22.1MOOSE shall provide an automatic differentiation mat reaction kernel

    Specification(s): admatreaction

    Design: ADMatReaction

    Issue(s): #13484

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.22.2The Jacobian for the automatic differentiation mat reaction kernel shall be perfect

    Specification(s): admatreaction-jac

    Design: ADMatReaction

    Issue(s): #13484

    Collection(s): FUNCTIONAL

    Type(s): PetscJacobianTester

  • phase_field: Langevin Noise
  • 8.24.1A system to supply a noise field with a domain integral of zero shall be provided

    Specification(s): integral

    Design: Langevin Noise

    Issue(s): #4763

    Collection(s): FUNCTIONAL

    Type(s): CSVDiff

  • 8.24.2A system to supply a normal distributed noise field with a domain integral of zero shall be provided

    Specification(s): normal

    Design: Langevin Noise

    Issue(s): #4763

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.24.3A system to supply a uniformly distributed noise field with a domain integral of zero shall be provided

    Specification(s): uniform

    Design: Langevin Noise

    Issue(s): #4763

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.24.4A system to supply a normal distributed noise field with an amplitude mask and a domain integral of zero shall be provided

    Specification(s): integral_normal_masked

    Design: Langevin Noise

    Issue(s): #4763

    Collection(s): FUNCTIONAL

    Type(s): CSVDiff

  • 8.24.5The conserved noise kernel shall error out with a helpful message if a 'seed' parameter is supplied

    Specification(s): seed_error

    Design: Langevin Noise

    Issue(s): #4763

    Collection(s): FAILURE_ANALYSISFUNCTIONAL

    Type(s): RunException

  • phase_field: FourierNoise
  • 8.30.1A function that returns a new periodic random field with a lower wavelength cut-off shall be provided.

    Specification(s): fourier_noise

    Design: FourierNoise

    Issue(s): #13316

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • phase_field: FauxPolycrystalVoronoi
  • 8.32.11The system shall support a faux voronoi tesselation grain structure IC without using FeatureFloodCount when the number of grains equal to the number of order parameters

    Specification(s): faux_voronoi

    Design: FauxPolycrystalVoronoi

    Issue(s): #14697

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • phase_field: GrainTracker
  • 8.33.1The system shall properly create and track grains when using the Nodal mode of the GrainTracker algorithm.

    Specification(s): test_nodal

    Design: GrainTracker

    Issue(s): #4765

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.33.2The system shall properly create and track grains when using the Elemental mode of the GrainTracker algorithm.

    Specification(s): test_elemental

    Design: GrainTracker

    Issue(s): #4881

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.33.3The PolycrystalVoronoi object shall create a valid coloring for a given number of grains and order parameters.

    Specification(s): test_advanced_op_assignment

    Design: GrainTracker

    Issue(s): #7005#9018

    Collection(s): FUNCTIONAL

    Type(s): CSVDiff

  • 8.33.6The GrainTracker/PolycrystalUserObject base class shall support having only a grain halo bleeding over a periodic edge.

    Specification(s): test_halo_periodic_bc

    Design: GrainTracker

    Issue(s): #6713#8926

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.33.7The GrainTracker object shall support remapping order parameter values.

    Specification(s): test_remapping_serial

    Design: GrainTracker

    Issue(s): #1298

    Collection(s): FUNCTIONAL

    Type(s): CSVDiff

  • 8.33.8The FeatureFloodCount object shall distribute the merging of features when the processor count exceeds number of order parameters for efficiency.

    Specification(s): test_remapping_parallel

    Design: GrainTracker

    Issue(s): #11805

    Collection(s): FUNCTIONAL

    Type(s): CSVDiff

  • 8.33.9The GrainTracker object shall properly checkpoint unique grain information in serial.

    Specification(s): test_recovery_serial_part1

    Design: GrainTracker

    Issue(s): #6713#12427

    Collection(s): FUNCTIONAL

    Type(s): RunApp

  • 8.33.10The GrainTracker object shall properly recover unique grain information in serial.

    Specification(s): test_recovery_serial_part2

    Design: GrainTracker

    Issue(s): #6713#12427

    Collection(s): FUNCTIONAL

    Type(s): CSVDiff

  • 8.33.11The GrainTracker object shall properly checkpoint unique grain information in parallel.

    Specification(s): test_recovery_parallel_part1

    Design: GrainTracker

    Issue(s): #6713#12427

    Collection(s): FUNCTIONAL

    Type(s): RunApp

  • 8.33.12The GrainTracker object shall properly recover unique grain information in parallel.

    Specification(s): test_recovery_parallel_part2

    Design: GrainTracker

    Issue(s): #6713#12427

    Collection(s): FUNCTIONAL

    Type(s): CSVDiff

  • 8.33.14The GrainTracker shall support maintaining reserve order parameters for simulations where new grains can form.

    Specification(s): remapping_with_reserve

    Design: GrainTracker

    Issue(s): #7605

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.33.15The GrainTracker shall support beginning a simulation with no active grain structure.

    Specification(s): start_with_zero_grains

    Design: GrainTracker

    Issue(s): #12200

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.33.18The GrainTracker shall support handling the splitting of a grain during a simulation.

    Specification(s): split_grain

    Design: GrainTracker

    Issue(s): #7875

    Collection(s): FUNCTIONAL

    Type(s): CSVDiff

  • 8.33.19The AverageFeatureVolume Postprocessor shall calculate the average volume of each active grain in a simulation.

    Specification(s): changing_avg_volume

    Design: GrainTracker

    Issue(s): #11822

    Collection(s): FUNCTIONAL

    Type(s): CSVDiff

  • 8.33.20The GrainTracker shall support a mode where it can continue even when it fails to remap for post-modern analysis and debugging.

    Specification(s): tolerate_remap_failure

    Design: GrainTracker

    Issue(s): #11843

    Collection(s): FUNCTIONAL

    Type(s): RunApp

  • 8.33.22The system shall properly handle a single feature or grain taking up the entire domain.

    Specification(s): one_grain

    Design: GrainTracker

    Issue(s): #12216

    Collection(s): FUNCTIONAL

    Type(s): CSVDiff

  • 8.33.23The system shall grain tracking behavior even when the number of grains equals the number of order parameters when using mode Nodal.

    Specification(s): test_faux_nodal

    Design: GrainTracker

    Issue(s): #5453

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.33.24The system shall grain tracking behavior even when the number of grains equals the number of order parameters when using mode Elemental.

    Specification(s): test_faux_element

    Design: GrainTracker

    Issue(s): #5453

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.33.25The system shall output individual grain tracker volumes.

    Specification(s): grain_tracker_volume

    Design: GrainTracker

    Issue(s): #7769

    Collection(s): FUNCTIONAL

    Type(s): CSVDiff

  • 8.33.26The system shall output individual grain tracker volumes assigning each element to only one grain (conservative).

    Specification(s): grain_tracker_volume_single

    Design: GrainTracker

    Issue(s): #7769

    Collection(s): FUNCTIONAL

    Type(s): CSVDiff

  • 8.33.27The system shall output individual grain tracker volumes when the number of order parameters equals the number of grains.

    Specification(s): feature_flood_volume

    Design: GrainTracker

    Issue(s): #5453

    Collection(s): FUNCTIONAL

    Type(s): CSVDiff

  • phase_field: CHPFCRFF
  • 8.38.2The system shall support a tolerance approach to handing the natural log when using the Cahn-Hilliard RFF kernel

    Specification(s): tolerance_test

    Design: CHPFCRFF

    Issue(s): #5338

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.38.3The system shall support a cancelation approach to handing the natural log when using the Cahn-Hilliard RFF kernel

    Specification(s): cancelation_test

    Design: CHPFCRFF

    Issue(s): #5338

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.38.4The system shall support an expansion approach to handing the natural log when using the Cahn-Hilliard RFF kernel

    Specification(s): expansion_test

    Design: CHPFCRFF

    Issue(s): #5338

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • phase_field: SplitCHWRes
  • 8.39.5MOOSE shall provide a kernel option to implement transport terms for the off-diagonal Onsager matrix components

    Specification(s): SplitCHWRes

    Design: SplitCHWRes

    Issue(s): #14140

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • phase_field: AllenCahn
  • 8.39.6A Allen-Cahn phase field formulation shall be provided

    Specification(s): AllenCahn

    Design: AllenCahn

    Issue(s): #3816

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.39.7The Allen-Cahn model shall have perfect Jacobians

    Specification(s): analyzejacobian_AllenCahn

    Design: AllenCahn

    Issue(s): #3816

    Collection(s): FUNCTIONAL

    Type(s): AnalyzeJacobian

  • 8.39.8A Allen-Cahn phase field formulation with a variable dependent mobility shall be provided

    Specification(s): AllenCahnVariableL

    Design: AllenCahn

    Issue(s): #3816

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • phase_field: ADAllenCahn
  • 8.39.9An AD version of the Allen-Cahn phase field formulation shall be provided

    Specification(s): ADAllenCahn

    Design: ADAllenCahn

    Issue(s): #13197

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.39.10The Jacobian for the AD Allen-Cahn problem shall be perfect

    Specification(s): ADAllenCahn-jac

    Design: ADAllenCahn

    Issue(s): #13197

    Collection(s): FUNCTIONAL

    Type(s): PetscJacobianTester

  • 8.39.11An AD version of the Allen-Cahn phase field formulation with a variable dependent mobility shall be provided

    Specification(s): ADAllenCahnVariableL

    Design: ADAllenCahn

    Issue(s): #13197

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.39.12The Jacobian for the AD Allen-Cahn problem with a variable dependent mobility shall be perfect

    Specification(s): ADAllenCahnVariableL-jac

    Design: ADAllenCahn

    Issue(s): #13197

    Collection(s): FUNCTIONAL

    Type(s): PetscJacobianTester

  • phase_field: Reading EBSD Data
  • 8.40.2The system shall support reading EBSD data and initializing a Polycrystal grain structure with that data.

    Specification(s): 1phase_reconstruction

    Design: Reading EBSD Data

    Issue(s): #9110

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.40.3The system shall support reading EBSD data to initalized Polycrystal grain structures while supporting reduced order parameter IC assignment.

    Specification(s): 1phase_reconstruction_40x40

    Design: Reading EBSD Data

    Issue(s): #9110

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.40.4The system shall support grain evolution when beginning from EBSD ICs.

    Specification(s): 1phase_evolution

    Design: Reading EBSD Data

    Issue(s): #9110

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.40.5The system shall support reading a single phase of EBSD data at a time to initialize PolycrystalICs.

    Specification(s): 2phase_reconstruction

    Design: Reading EBSD Data

    Issue(s): #9110#5920

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.40.6The system shall support reading a single phase of EBSD data at a time to initialize PolycrystalICs while supporting reduced order parameter IC assignment.

    Specification(s): 2phase_reconstruction2

    Design: Reading EBSD Data

    Issue(s): #9110#5920

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.40.7The system shall support reading EBSD data to initialize PolycrystalICs with discontinuous numbering.

    Specification(s): 2phase_reconstruction3

    Design: Reading EBSD Data

    Issue(s): #9110#5920

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.40.8The system shall support reading a single phase of EBSD data at a time to initialize PolycrystalICs while supporting reduced order parameter IC assignment and display the coloring.

    Specification(s): 2phase_reconstruction4

    Design: Reading EBSD Data

    Issue(s): #9110#5920

    Collection(s): FUNCTIONAL

    Type(s): Exodiff

  • 8.40.9The system shall support reading a single phase of EBSD data at a time to initialize PolycrystalICs and support regions within the domain that contain no grains at all.

    Specification(s): regions_without_grains

    Design: Reading EBSD Data

    Issue(s): #9110#5920

    Collection(s): FUNCTIONAL

    Type(s): CSVDiff

  • phase_field: EBSDReader
  • 8.40.10The system shall support grain evolution when beginning from EBSD ICs and compute average orientation of non-uniformly oriented grains.

    Specification(s): average_orientation

    Design: EBSDReader

    Issue(s): #13869

    Collection(s): FUNCTIONAL

    Type(s): Exodiff