File List

Here is a list of all documented files with brief descriptions:

[detail level 12345678910]

▼ applications
▼ PUfoam
▼ foamAging
plotFoamAging.py
prep_init_foamConductivity.py
▼ foamExpansion
► case
workflow.py
► examples
► BaserKinetics
► inputs
processResults.py
workflow.py
► RF1Kinetics
► inputs
processResults.py
workflow.py
► inputs
workflow.py
plotWallDrainage.py
prep_init_foamConductivity.py
▼ foamingProcess3D
createInputs.py	Creates input files for Bubble growth and QmomKinetics detailed models
▼ MoDeNaModels
► bubbleGrowth
► src
► src
constants.f90	Stores physical constants and floating point precision
dgtsl.f90	Solver for tridiagonal SLAE
fake_modena.c	MoDeNa bindings used when MoDeNa library is not installed
foaming_globals.f90	Stores global variables for Foaming application
globals.f90	Stores global variables
hbrd.f90	Hybrid Powell method for SNAE
in_out.f90	Subroutines controlling input and output
integration.f90	Controls the integration
interpolation.f90	Piecewise linear interpolation
ioutils.f90	Tools for file input/output
main.f90	Main executable program
model.f90	Physical model of bubble growth
model_sundials.f90	Interface for sundials
modenastuff.f90	Definitions of modena variables
opkda1.f
opkda2.f
opkdmain.f
phys_prop.f90	Calculates material properties of the system
tests.f90	Top level subroutines
__init__.py
bubbleGrowth.py
► CFD_tool_0D
► src
► eigen
► src
dcopy.f
dgemm.f
dger.f
dgesv.f
dgetf2.f
dgetrf.f
dgetrs.f
disnan.f
dlae2.f
dlaebz.f
dlaev2.f
dlaisnan.f
dlamch.f
dlaneg.f
dlanst.f
dlapy2.f
dlar1v.f
dlarnv.f
dlarra.f
dlarrb.f
dlarrc.f
dlarrd.f
dlarre.f
dlarrf.f
dlarrj.f
dlarrk.f
dlarrr.f
dlarrv.f
dlartg.f
dlaruv.f
dlascl.f
dlaset.f
dlasq2.f
dlasq3.f
dlasq4.f
dlasq5.f
dlasq6.f
dlasr.f
dlasrt.f
dlassq.f
dlaswp.f
dscal.f
dstegr.f
dstemr.f
dsteqr.f
dswap.f
dtrsm.f
idamax.f
ieeeck.f
ilaenv.f
iparmq.f
lsame.f
vandermonde.f
xerbla.f
bubbleRadius.h	Functions related to the calculations of bubble radius
coalescence.h	Source term due to the bubble coalescence
determinant.h	Calcualte the determinant of an n by n matrix
differenceTable.h	Calculate difference table for the moments realizability check
experimentalInputs.h	All the experimental data required for the source terms calculations
growth.h	Source terms due to the bubble growth
HankelHadamard.h	Checks for moments realizability
initializeMoments.h	Initializes the moments
liquidBA.h	Maximum soluble physical blowing agent in the liquid mixture
McGrawCorrection.h	McGraw correction algorithm
modenaCalls.h	Instantiate the surrogate models:
modenaData.h	Allocate memory for the surrogate models
momentsConverter.h	Converts moments based on the unit volume of foam
partialPressure.h	Functions related to the calculations of partial pressures
pda.h	Product Difference Algorithm
QmomKinetics.cpp	Macro-scale tool for the foaming process
readParameters.h	Reads the inputs from input files
WrightCorrection.h	Wright corrections for moments realizability
write_kinetics.h	Write the results into text files
__init__.py
QmomKinetics.py
► CFD_tool_3D
► applications
► postProcessBSD
► twoPhaseMixtureThermo
► lnInclude
twoPhaseMixtureThermo.C
twoPhaseMixtureThermo.H
twoPhaseMixtureThermo.C
twoPhaseMixtureThermo.H
postProcessBSD.C	Post-processing application to calculate the mean and variance of bubble size distribution
► src
► eigen
► src
dcopy.f
dgemm.f
dger.f
dgesv.f
dgetf2.f
dgetrf.f
dgetrs.f
disnan.f
dlae2.f
dlaebz.f
dlaev2.f
dlaisnan.f
dlamch.f
dlaneg.f
dlanst.f
dlapy2.f
dlar1v.f
dlarnv.f
dlarra.f
dlarrb.f
dlarrc.f
dlarrd.f
dlarre.f
dlarrf.f
dlarrj.f
dlarrk.f
dlarrr.f
dlarrv.f
dlartg.f
dlaruv.f
dlascl.f
dlaset.f
dlasq2.f
dlasq3.f
dlasq4.f
dlasq5.f
dlasq6.f
dlasr.f
dlasrt.f
dlassq.f
dlaswp.f
dscal.f
dstegr.f
dstemr.f
dsteqr.f
dswap.f
dtrsm.f
idamax.f
ieeeck.f
ilaenv.f
iparmq.f
lsame.f
vandermonde.f
xerbla.f
► initMoments
► CMakeFiles
► 3.5.1
► CompilerIdC
CMakeCCompilerId.c
► CompilerIdCXX
CMakeCXXCompilerId.cpp
feature_tests.c
initMoments.C
PDA.H
► twoPhaseMixtureThermo
► lnInclude
twoPhaseMixtureThermo.C
twoPhaseMixtureThermo.H
twoPhaseMixtureThermo.C
twoPhaseMixtureThermo.H
alphaCorrection.H	Checks the boundedness of alpha (phase volume fraction)
alphaEqns.H	Builds and solves the phase volume fraction equation
alphaEqnsSubCycle.H
BACheck.H	Checks the boundedness of field variables related to the physical and chemical blowing agents
BAEqns.H	Builds the PDEs for the presence of different blowing agents. It also considers the user choice for the solution of PBE
BASources.H	Builds the RHS of PDEs for the blowing agents
checkGellingPoint.H	Checks if the gelling point reaches
coalescenceKernel.H	Constant coalescence kernel
coalescenceSource.H	Source term due to bubbles coalescence
continuityErrors.H	Calculates and reports the continuity error
conversionCheck.H	Checks the boundedness of coversion values (for polyol and water)
conversionEqns.H	Builds and solves conversion equations based on the kinetic model chosen
conversionSources.H	Builds the RHS of conversion equations based on the kinetics model chosen
createFields.H	Creates all the required field variables
densityEqns.H	Calculates the PU foam density
growthRate.H	Three different functions for growth rate
growthSource.H	Source term due to bubble growth
KineticsFields.H	Creates the field variables related to the PU kinetics
KineticsFunctions.H	Functions for kinetics calculations
modenaCalls.H	Instantiates the surrogate models
modenaData.H	Allocate memory for the surrogate models
MomConvert.H	Converts moments based on the unit volume of foam
MomEqns.H	Builds and solves moments equations
MomFields.H	Creates the field variables related to the moments
MomSources.H	Builds the RHS of PDEs for the moments
PDA.H
pEqn.H	Builds and solves pressure equation
PUFoam.C	Macro-scale CFD tool for 3D simulation of foam expansion
readControls.H	Read controls
rheologyFields.H	Creates the field variables for the rheology
rheologyModel.H	Implementatino of three rheology models including constant, Newtonian, and non-Newtonian
simulationMode.H	Defines mold-filling and validation as two simulation modes
TCheck.H	Checks the boundedness of temperature values
thermalFields.H	Creates the field variables for the temperature equation
TSEqn.H	Builds and solves the temperature equation
TSSource.H	Builds the RHS of temperature equation
UEqn.H	Momentum equation
__init__.py
CFD_tool_3D.py
► diffusivity
__init__.py
diffusivity.py
► foamAging
► src
► src
conductivity.f90	Calculation of thermal conductivity
constants.f90	Physical constants and other parameters
globals.f90	Global variables
InOut.f90	File input and output
integration.f90	Controls the integration
ioutils.f90	Tools for file input/output
main.f90	Main executable program
model.f90	Model subroutines
odepack.f
odepack_sub1.f
odepack_sub2.f
physicalProperties.f90	Calculates material properties of the system
__init__.py
foamAging.py
► foamConductivity
► src
► src
besselj.f90
bessely.f90
complex.f90
condrad.f90	Conductive-radiative heat transfer simulation
conduction.f90	Conductive heat transfer simulations
constants.f90	Physical constants and global variables
cylprop.f90	Estimation of effect of struts on radiative properties
dagmg.f90
filmprop.f90	Estimation of effect of walls on radiative properties
foamgeom.f90	Morphology descriptors
foamprop.f90	Effective properties of the foam
gasprop.f90	Gas properties
hbrd.f90	Hybrid Powell method for SNAE
interpolation.f90	Piecewise linear interpolation
ioutils.f90	Tools for file input/output
main.f90	Main executable program
physicalProperties.f90	Properties of gas and solid phase
quadpack.f90
solidprop.f90	Effective properties of solid
specfun.f90	Special mathematical functions
tests.f90	Top level routines
utilit.f90
__init__.py
foamConductivity.py
► FoamConstruction
► foamreconstr
► src
allocation.cc	Shorthand functions for allocation of matrices
allocation.hh
determinant.cc	Functions for calculating determinant
determinant.hh
edges.cc	Functions for creating struts at cell edges
edges.hh
foams.cc	Main reconstruction algorithm
geometry.cc	Helpful geometric and mathematical functions
geometry.hh
globals.cc	Global variables
globals.hh	Defines global variables, macros, templates and namespace
inout.cc	Functions for input and output operations
inout.hh
nodes.cc	Functions for creating struts at cell vertices
nodes.hh
seeds.cc	Functions for the initialization of seeds
seeds.hh
skeleton.cc	Functions for geometric tessellation. Vertices and edges are used
skeleton.hh
struts.cc	Functions governing creation of struts
struts.hh
walls.cc	Functions for creation of walls from Voronoi tessellation
walls.hh
__init__.py
FoamGeometryConstruction_Periodic.py
periodicBox.py
run.py
vtkconv.py
► FoamElasticModulus
► src
spdeclarations.h
spdistrib.c
spherepack.c
__init__.py
AbaqusSimulation.py
ElasticModulus.py
► gasConductivity
__init__.py
gasConductivity.py
► gasMixtureConductivity
__init__.py
gasMixtureConductivity.py
► Kinetics
__init__.py
Kinetics.py
predici_2_modena.py
PrediciKinetics.py
RF-1-public.c
► polymerConductivity
__init__.py
polymerConductivity.py
► PolymerDensity
► ExampleOfUsage
► src
MacroscopicProblem.C
Density.py
► src
► DetailedModelCode
getting_started_subroutines.f90
main.f90
module_solve_nonlinear.f90
modules.f90
Numeric_subroutines.f90
VLE_main.f90
VLE_subroutines.f90
__init__.py
PolymerDensity.py
► PolymerDensity_units
__init__.py
density_reaction_mixture.py	Surrogate function and model definitions for the density of the reaction mixturemode
► polymerViscosity
__init__.py
polymerViscosity.py
► Rheology
► Example_WorkflowIntegration
► src_dummy
workflowdummy.f90
WorkflowTest.py
► src
rheologyexactdummy.f90
__init__.py
Rheology.py
► Rheology_Arrhenius
__init__.py
Rheology_Arrhenius.py
► Solubility
► ExampleOfUsage
► src
MacroscopicProblem.C
SolubilityMacroscopicTask.py
► src
BubblePoint.f90	This Subroutine performs a bubble point calculation
cg_descent.f90
crit_point_mixtures.f90
DFT-MF.f90
DFT-nMF-mixtures.f90
DFT-nMF-units.f90
DFT-nMF2.f90
DFT-utilities.f90
eos.f90
eos_const.f90
eos_critical_renorm.f90
eos_critical_renorm_mix.f90
eos_enthalpy.f90
eos_f_contributions.f90
eos_numerical.f90
eos_polar.f90
eos_polar_second_deriv.f90
gc_method.f90
input_output.f90
kij-fitting.f90
levenberg_marquardt.f90
main_prog.f90	Main program
matrix_inversion-aux.f90
matrix_inversion.f90
matrix_inversion2.f90
mod_basic_variables.f90
para_input.f90
phase_equilib.f90
powell_minimize.f90
pt1.f90
pure_par_fit.f90
rdf_hs.f90
starting_value.f90	This subroutine performs a phase equilibrium calculation
utilities.f90
__init__.py
Solubility.py
► StrutContent
__init__.py
StrutContent.py
► SurfaceTension
► ExampleOfUsage
► src
MacroscopicProblem.C
SurfaceTensionExactTask.py
► src
AD_Routines.F90
crit_point_mixtures.F90
Function.F90	This file contains the residual function of the density functional theory calculation
getting_started_subroutines.F90
Helfer_Routinen.F90
InitialGuess.F90
Main.F90
mod_ChemPot.F90
mod_DFT_CHAIN.F90	This file contains the subroutines which calculate the contribution of chain formation to the Helmholtz energy functional
mod_DFT_CHAIN_d.F90	This file contains the subroutines which calculate the derivatives of the contribution of chain formation to the Helmholtz energy functional. These derivatives were obtained from the TAPENADE automatic differentiation online tool
mod_DFT_DISP_WDA.F90
mod_DFT_DISP_WDA_d.F90	This file contains the subroutines which calculate the derivatives of th contribution of dispersion to the Helmholtz energy functional. These derivatives were generated by the TAPEANDE online automatic differentiation tool
mod_DFT_FMT.F90	This file contains the subroutines which calculate the contribution of volume exclusion to the Helmholtz energy functional
mod_DFT_FMT_d.F90	This file contains the subroutines which calculate the derivatives of the contribution of volume exclusion to the Helmholtz energy functional. These derivatives were obtained by automatic differentiation using the TAPENADE online tool
mod_PETSc.F90
module_solve_nonlinear.F90
Modules.F90
Numeric_subroutines.F90
SolverSetup.F90
Spline_Integration_d.F90
VLE_main.F90	This file contains the subroutine which controls the phase equilibrium calculation
__init__.py
SurfaceTension.py
► wallDrainage
► src
constants.f90	Physical constants
globals.f90	Global variables
hbrd.f90	Hybrid Powell method for SNAE
in_out.f90	File input and output
integration.f90	Sets up and integrates the models
ioutils.f90	Tools for file input/output
main.f90	Main executable program
model.f90	Physical model for wall formation
opkda1.f
opkda2.f
opkdmain.f
phys_prop.f90	Physical properties
__init__.py
plot.py
wallDrainage.py
▼ examples
▼ MoDeNaModels
▼ flowRate
► src
flowRateExact.C
__init__.py
flowRate.py
▼ flowRate_idealGas
► src
flowRateExact.C
__init__.py
flowRate_idealGas.py
▼ fullerEtAlDiffusion
__init__.py
fullerEtAlDiffusion.py
▼ idealGas
__init__.py
idealGas.py
▼ twoTank
► src
twoTanksMacroscopicProblem.C
__init__.py
twoTank.py
▼ twoTankChained
► src
twoTanksMacroscopicProblem.C
__init__.py
twoTankChained.py
▼ twoTankCxx
► src
twoTanksMacroscopicProblemCxx.C
__init__.py
twoTankCxx.py
▼ twoTankFortran
► src
twoTanksMacroscopicProblemFortran.f90
__init__.py
twoTankFortran.py
▼ multicomponentDiffusion
▼ src
fullerEtAlDiffusionTest.C
▼ src
▼ python
__init__.py	Module providing the MoDeNa python interface
setup.py
Strategy.py	Module providing strategies
SurrogateModel.py	Module providing functions and models
▼ src
fmodena.f90
function.c
function.h
global.c
global.h
indexset.c
indexset.h
inline.h
inputsoutputs.c
inputsoutputs.h
model.c
model.h
modena.h
modenaModel.H
twoTanksFullProblem.C