NEML2 NEML2 NEML2
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User guide

  • Installation
    • Basic installation
    • Torch compatibility
    • Dependencies
  • Tutorials
    • Input files
    • Running your first model
    • Model parameters
    • Evaluation device
    • Vectorization
    • Cross-referencing
    • Model composition
    • Model parameters revisited
    • Implicit models
    • Transient driver
    • Compiled models
    • How compilation works
    • Declaring inputs, outputs, and parameters
    • Connecting to input files
    • The forward operator
    • Auto-deriving the chain rule with request_AD
    • Composing with existing models
    • Automatic differentiation
    • Parameter calibration
    • Recurrent calibration with pyzag
    • Deterministic material model calibration
    • Statistical material model learning
  • Tensor types
    • Primitive (fixed-base-shape) tensor types
    • Tensor shape regions
    • Batching and broadcasting
    • Region views
    • Indexing
  • Physics modules
    • Chemical reactions
    • Finite volume
    • KWN (precipitation kinetics)
      • 316H two-phase precipitation (carbide + Laves)
      • Al–Cu TTP diagram
    • Phase-field fracture
    • Porous flow
    • Solid mechanics
      • Elasticity
      • Viscoelasticity
      • Plasticity
      • Crystal plasticity
        • Crystal plasticity formulations
        • Plotting pole figures
      • Traction–separation laws
      • Kinematics
  • Migration guides
    • Migrating from v2.x to v3.0
    • Migrating from v2.1.1 to v2.1.2
    • Migrating from v2.0.0 to v2.1.0

Deployment & integration

  • Ways to evaluate a model
  • Python integration
  • C++ integration
  • CLI utilities
  • Controlling verbosity

Contributing & development

  • Building from source
  • Testing
  • Code quality
  • Dependency pinning
  • Documentation
  • Jupyter notebooks
  • Submitting a pull request
  • Benchmarking

Reference

  • py-eager — eager Python
  • py-jit — in-process torch.compile
  • py-aoti — compiled model from Python
  • cpp-aoti — compiled model from C++
  • cpp-dispatch — dispatching across devices
  • cpp-eager — eager evaluation from C++
  • Solvers
  • AOTI packages
  • Compilation pipeline
  • Syntax catalog
    • Models
      • chemical_reactions
        • AvramiErofeevNucleation
        • ContractingGeometry
        • CylindricalChannelGeometry
        • DiffusionLimitedReaction
        • EffectiveVolume
      • common
        • ArrheniusParameter
        • ComposedModel
        • ConstantExtrapolationPredictor
        • CopyMRP
        • CopyMillerIndex
        • CopyR2
        • CopySR2
        • CopySSR4
        • CopyScalar
        • CopyVec
        • CopyWR2
        • FBComplementarity
        • HermiteSmoothStep
        • ImplicitUpdate
        • IrreversibleScalar
        • LinearExtrapolationPredictor
        • MRPConstantParameter
        • MRPInputParameter
        • MRPParameterToVariable
        • MacaulaySplit
        • MillerIndexConstantParameter
        • MillerIndexInputParameter
        • MillerIndexParameterToVariable
        • MinMapComplementarity
        • MixedControlSetup
        • R2BackwardEulerTimeIntegration
        • R2ConstantParameter
        • R2Determinant
        • R2InputParameter
        • R2Multiplication
        • R2ParameterToVariable
        • R2ToSR2
        • R2ToWR2
        • R2VariableRate
        • RotationMatrix
        • SR2BackwardEulerTimeIntegration
        • SR2BilinearInterpolation
        • SR2ConstantParameter
        • SR2Determinant
        • SR2DynamicMean
        • SR2DynamicSum
        • SR2ForwardEulerTimeIntegration
        • SR2InputParameter
        • SR2IntermediateDiff
        • SR2IntermediateMean
        • SR2IntermediateSum
        • SR2Invariant
        • SR2LinearCombination
        • SR2ParameterToVariable
        • SR2ToR2
        • SR2VariableRate
        • SSR4ConstantParameter
        • SSR4InputParameter
        • SSR4ParameterToVariable
        • ScalarBackwardEulerTimeIntegration
        • ScalarBilinearInterpolation
        • ScalarConstantParameter
        • ScalarForwardEulerTimeIntegration
        • ScalarInputParameter
        • ScalarLinearCombination
        • ScalarLinearInterpolation
        • ScalarMultiplication
        • ScalarPNorm
        • ScalarParameterToVariable
        • ScalarToDiagonalSR2
        • ScalarVariableRate
        • SymmetricHermiteInterpolation
        • VecBackwardEulerTimeIntegration
        • VecBilinearInterpolation
        • VecComponents
        • VecConstantParameter
        • VecInputParameter
        • VecParameterToVariable
        • VecVariableRate
        • WR2ConstantParameter
        • WR2ExplicitExponentialTimeIntegration
        • WR2ImplicitExponentialTimeIntegration
        • WR2InputParameter
        • WR2ParameterToVariable
      • finite_volume
        • DumpInSmallestBin
        • FiniteVolumeAppendBoundaryCondition
        • FiniteVolumeGradient
        • FiniteVolumeUpwindedAdvectiveFlux
        • LinearlyInterpolateToCellEdges
        • SemiInfiniteCoordinateTransform
        • SmearedDeltaSource
      • kwn
        • ChemicalGibbsFreeEnergyDifference
        • CurrentConcentration
        • IdealSolutionVolumetricDrivingForce
        • KineticFactor
        • NucleationBarrierAndCriticalRadius
        • NucleationFluxMagnitude
        • PrecipitateVolumeFraction
        • ProjectedDiffusivitySum
        • RateLimitedPrecipitateGrowthRate
        • SFFKPrecipitationGrowthRate
        • ZeldovichFactor
      • phase_field_fracture
        • CrackGeometricFunctionAT1
        • CrackGeometricFunctionAT2
        • LinearIsotropicStrainEnergyDensity
        • PowerDegradationFunction
        • RationalDegradationFunction
      • porous_flow
        • AdvectiveStress
        • BrooksCoreyCapillaryPressure
        • EffectiveSaturation
        • ExponentialLawPermeability
        • KozenyCarmanPermeability
        • PowerLawPermeability
        • VanGenuchtenCapillaryPressure
      • solid_mechanics
        • crystal_plasticity
        • elasticity
        • kinematics
        • plasticity
        • traction_separation_law
        • viscoelasticity
        • SR2TwoStageThermalAnnealing
        • ScalarTwoStageThermalAnnealing
      • AOTIModel
    • Tensors
      • CSVSR2
      • CSVScalar
      • CSVVec
      • CSVWR2
      • Python
    • Solvers
      • BiCGStab
      • BlockJacobiPreconditioner
      • DenseLU
      • FullPreconditioner
      • GMRES
      • JacobiPreconditioner
      • Newton
      • NewtonWithLineSearch
      • NoPreconditioner
      • SchurComplement
    • Equation systems
      • NonlinearSystem
    • Drivers
      • TransientDriver
      • TransientRegression
      • Verification
    • Data
      • CubicCrystal
  • Python API
    • neml2.factory
    • neml2.schema
    • neml2.models.model
    • neml2.models.chain_rule
    • neml2.models.resolver
    • neml2.types
    • neml2.models
    • neml2.solvers
    • neml2.es
    • neml2.drivers
    • neml2.data
    • neml2.user_tensors
    • neml2.models.export
    • neml2.aoti
    • neml2.pyzag
    • neml2.cli
  1. NEML2 /
  2. Syntax catalog /
  3. Models /
  4. chemical_reactions

chemical_reactions#

[Models] types under chemical_reactions/.

  • AvramiErofeevNucleation
  • ContractingGeometry
  • CylindricalChannelGeometry
  • DiffusionLimitedReaction
  • EffectiveVolume
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AvramiErofeevNucleation

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