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Improved inputs

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docs/source/InputsProblemDefinition.rst
+ 130
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Problem Definition
==================
The following inputs must be preceded by "amr."
In this section it is described how the input file can be configured in order to
specify the settings of the problem at hand. The input file must be
passed as first argument to the MFIX-Exa executable.
System of Units
---------------
MFIX-Exa adopts the International System of Units (SI). Simulations have to be
set up accordingly. In the following table we provide a list of some of the
physical quantities we can specify in the input file and their correspondent
units.
+----------------------------+-----------------------------------------+
| Physical quantity | MFIX-Exa SI unit |
+============================+=========================================+
| length | meter [:math:`m`] |
+----------------------------+-----------------------------------------+
| mass | kilogram [:math:`kg`] |
+----------------------------+-----------------------------------------+
| time | second [:math:`s`] |
+----------------------------+-----------------------------------------+
| force | Newton [:math:`N`] |
+----------------------------+-----------------------------------------+
| temperature | Kelvin [:math:`K`] |
+----------------------------+-----------------------------------------+
| pressure | Pascal [:math:`Pa`] |
+----------------------------+-----------------------------------------+
| energy | Joule [:math:`J`] |
+----------------------------+-----------------------------------------+
| power | Watt [:math:`W`] |
+----------------------------+-----------------------------------------+
| density | [:math:`kg \cdot m^{-3}`] |
+----------------------------+-----------------------------------------+
| velocity | [:math:`m \cdot s^{-1}`] |
+----------------------------+-----------------------------------------+
| dynamic viscosity | [:math:`Pa \cdot s`] |
+----------------------------+-----------------------------------------+
| diffusivity | [:math:`m^2 \cdot s^{-1}`] |
+----------------------------+-----------------------------------------+
| specific heat capacity | [:math:`J \cdot Kg^{-1} \cdot K^{-1}`] |
+----------------------------+-----------------------------------------+
| thermal conductivity | [:math:`W \cdot m^{-1} \cdot K^{-1}`] |
+----------------------------+-----------------------------------------+
| spring coefficient | [:math:`N \cdot m^{-1}`] |
+----------------------------+-----------------------------------------+
Mesh settings
-------------
There are some settings we can specify for the mesh and the automatic mesh
refinement algorithm. These settings must be preceded by "amr." in the input
file.
+-------------------+---------------------------------------------------------------------+-------------+-----------+
| | Description | Type | Default |
@@ -11,6 +64,11 @@ The following inputs must be preceded by "amr."
| max_level | Maximum level of refinement allowed (0 when single-level) | Int | None |
+-------------------+---------------------------------------------------------------------+-------------+-----------+
Geometry settings
-----------------
The following inputs must be preceded by "geometry."
+-----------------+-----------------------------------------------------------------------+-------------+-----------+
@@ -25,16 +83,9 @@ The following inputs must be preceded by "geometry."
| prob_hi | High corner of physical domain (physical not index space) | Reals | None |
+-----------------+-----------------------------------------------------------------------+-------------+-----------+
The following inputs must be preceded by "bc."
+-----------------+-----------------------------------------------------------------------+-------------+-----------+
| | Description | Type | Default |
+=================+=======================================================================+=============+===========+
| delp_dir | Direction for specified pressure drop. Note that this direction | Int | 0 |
| | should also be periodic. | | |
+-----------------+-----------------------------------------------------------------------+-------------+-----------+
| delp | Pressure drop (Pa) | Real | 0.0 |
+-----------------+-----------------------------------------------------------------------+-------------+-----------+
MFIX-Exa settings
-----------------
The following inputs must be preceded by "mfix."
@@ -57,39 +108,6 @@ The following inputs must be preceded by "mfix."
+----------------------+-------------------------------------------------------------------------+----------+-----------+
Setting basic EB walls can be specified by inputs preceded by "xlo", "xhi", "ylo", "yhi", "zlo", and "zhi"
+--------------------+---------------------------------------------------------------------------+-------------+-----------+
| | Description | Type | Default |
+====================+===========================================================================+=============+===========+
| type | Used to define boundary type. Available options include: | String | None |
| | | | |
| | * 'pi' or 'pressure_inflow' | | |
| | * 'po' or 'pressure_outflow' | | |
| | * 'mi' or 'mass_inflow' | | |
| | * 'nsw' or 'no_slip_wall' | | |
+--------------------+---------------------------------------------------------------------------+-------------+-----------+
| pressure | Sets boundary pressure for pressure inflows, outflows and mass inflows | Real | None |
+--------------------+---------------------------------------------------------------------------+-------------+-----------+
| velocity | Sets boundary velocity for mass inflows | Real | None |
+--------------------+---------------------------------------------------------------------------+-------------+-----------+
| location | Specifies an offset from the domain boundary for no-slip walls | Real | None |
+--------------------+---------------------------------------------------------------------------+-------------+-----------+
To specify multiple mass inflows (e.g., define a jet and uniform background flow), provide multiple velocities for the region and define the physical extents of the sub-region. The first velocity is applied to the entire flow plane. Subsequent velocities are successively applied to the specified sub-regions. If multiple sub-regions overlap, the velocity of last specified region is used. An example of a uniform mass inflow with a square-jet centered at (0.5x0.5) is given below.
.. code-block:: none
xlo.type = "mi"
xlo.velocity = 0.01 0.10
xlo.ylo = 0.25
xlo.yhi = 0.75
xlo.zlo = 0.25
xlo.zhi = 0.75
Species model settings
--------------------
@@ -109,11 +127,13 @@ The following inputs must be preceded by the given to the species solver e.g., "
+-------------------------------+----------------------------------------------------------------+----------+-----------+
| | Description | Type | Default |
+===============================+================================================================+==========+===========+
| diffusivity | Specify which diffusivity model to use for species [required] | String | None |
| | "constant" -- constant diffusivity | | |
| diffusivity | Specify which diffusivity model to use for species [required]. | String | None |
| | Available options include: | | |
| | | | |
| | * 'constant' for constant diffusivity model | | |
+-------------------------------+----------------------------------------------------------------+----------+-----------+
| [specie0].diffusivity | Value of constant species diffusivity | Real | None |
| | [required if diffusivity_model="constant"] | | |
| [specie0].diffusivity | Value of constant species diffusivity. [required if | Real | None |
| | diffusivity_model='constant']. | | |
+-------------------------------+----------------------------------------------------------------+----------+-----------+
Below is an example for specifying species solver model options.
@@ -147,31 +167,37 @@ The following inputs must be preceded by the given to the fluid solver e.g., "fl
+-------------------------------+----------------------------------------------------------------+----------+-----------+
| | Description | Type | Default |
+===============================+================================================================+==========+===========+
| density | Specify which density model to use for fluid [required] | String | None |
| | "constant" -- constant density | | |
| density | Specify which density model to use for fluid [required]. | String | None |
| | Available options include: | | |
| | | | |
| | * 'constant' for constant density model | | |
+-------------------------------+----------------------------------------------------------------+----------+-----------+
| density.constant | Value of constant fluid density | Real | None |
| | [required if density_model="constant"] | | |
| density.constant | Value of constant fluid density [required if density_model= | Real | None |
| | 'constant']. | | |
+-------------------------------+----------------------------------------------------------------+----------+-----------+
| viscosity | Specify which viscosity model to use for fluid [required] | String | None |
| | "constant" -- constant viscosity | | |
| viscosity | Specify which viscosity model to use for fluid [required]. | String | None |
| | Available options include: | | |
| | | | |
| | * 'constant' for constant viscosity model | | |
+-------------------------------+----------------------------------------------------------------+----------+-----------+
| viscosity.constant | Value of constant fluid viscosity | Real | None |
| | [required if viscosity_model="constant"] | | |
| viscosity.constant | Value of constant fluid viscosity [required if | Real | None |
| | viscosity_model='constant']. | | |
+-------------------------------+----------------------------------------------------------------+----------+-----------+
| specific_heat | Specify which specific heat model to use for fluid | String | None |
| | [required if advect_enthalpy] | | |
| | "constant" -- constant specific heat | | |
| specific_heat | Specify which specific heat model to use for fluid [required | String | None |
| | if advect_enthalpy]. Available options include: | | |
| | | | |
| | * 'constant' for constant density model | | |
+-------------------------------+----------------------------------------------------------------+----------+-----------+
| specific_heat.constant | Value of constant fluid specific heat | Real | None |
| | [required if specific_heat_model="constant"] | | |
| specific_heat.constant | Value of constant fluid specific heat [required if | Real | None |
| | specific_heat_model='constant']. | | |
+-------------------------------+----------------------------------------------------------------+----------+-----------+
| thermal_conductivity | Specify which thermal conductivity model to use | String | None |
| | for fluid [required if advect_enthalpy] | | |
| | "constant" -- constant thermal conductivity | | |
| thermal_conductivity | Specify which thermal conductivity model to use for fluid | String | None |
| | [required if advect_enthalpy=1]. available options include: | | |
| | | | |
| | * 'constant' for constant density model | | |
+-------------------------------+----------------------------------------------------------------+----------+-----------+
| thermal_conductivity.constant | Value of constant fluid thermal conductivity | Real | None |
| | [required if thermal_conductivity_model="constant"] | | |
| thermal_conductivity.constant | Value of constant fluid thermal conductivity [required if | Real | None |
| | thermal_conductivity_model='constant']. | | |
+-------------------------------+----------------------------------------------------------------+----------+-----------+
| species | Specify which species can constitute the fluid phase | String | None |
+-------------------------------+----------------------------------------------------------------+----------+-----------+
@@ -273,17 +299,15 @@ Region definitions
Regions are used to define sections of the domain. They may be either boxes, planes or points. They are used in building initial condition regions.
+---------------------+-----------------------------------------------------------------+-------------+-----------+
| | Description | Type | Default |
+=====================+=================================================================+=============+===========+
| mfix.regions | Names given to regions. | String | None |
+---------------------+-----------------------------------------------------------------+-------------+-----------+
| regions.[region].lo | Low corner of physical region | Reals | None |
| | (physical, not index space) | | |
+---------------------+-----------------------------------------------------------------+-------------+-----------+
| regions.[region].hi | High corner of physical region | Reals | None |
| | (physical, not index space) | | |
+---------------------+-----------------------------------------------------------------+-------------+-----------+
+---------------------+-----------------------------------------------------------------------+-------------+-----------+
| | Description | Type | Default |
+=====================+=======================================================================+=============+===========+
| mfix.regions | Names given to regions. | String | None |
+---------------------+-----------------------------------------------------------------------+-------------+-----------+
| regions.[region].lo | Low corner of physical region (physical, not index space) | Reals | None |
+---------------------+-----------------------------------------------------------------------+-------------+-----------+
| regions.[region].hi | High corner of physical region (physical, not index space) | Reals | None |
+---------------------+-----------------------------------------------------------------------+-------------+-----------+
Below is an example for specifying two regions.
@@ -333,10 +357,11 @@ The name of the DEM phases to be defined in the IC region and the packing must b
+=====================+================================================================+=============+===========+
| ic.[region].solids | List of solids | Strings | None |
+---------------------+----------------------------------------------------------------+-------------+-----------+
| ic.[region].packing | Specifies how auto-generated particles are placed | String | None |
| | in the IC region: | | |
| | * hcp - Hex-centered packing | | |
| | * random | | |
| ic.[region].packing | Specifies how auto-generated particles are placed in the IC | String | None |
| | region: | | |
| | | | |
| | * hcp -- hex-centered packing | | |
| | * random -- random packing | | |
| | * pseudo_random | | |
| | * oneper -- one particle per cell | | |
| | * eightper -- eight particles per cell | | |
@@ -354,10 +379,11 @@ For each solid, the following inputs may be defined.
| velocity | Velocity components | Reals | None |
+---------------------+-----------------------------------------------------------------------+-------------+-----------+
| diameter | Method to specify particle diameter in the IC region. This is | String | None |
| | only used for auto-generated particles. | | |
| | * constant -- specified constant | | |
| | * uniform -- uniform distribution | | |
| | * normal -- normal distribution | | |
| | only used for auto-generated particles. Available options include: | | |
| | | | |
| | * 'constant' -- specified constant | | |
| | * 'uniform' -- uniform distribution | | |
| | * 'normal' -- normal distribution | | |
+---------------------+-----------------------------------------------------------------------+-------------+-----------+
| diameter.constant | Value of specified constant particle density | Real | None |
+---------------------+-----------------------------------------------------------------------+-------------+-----------+
@@ -370,10 +396,11 @@ For each solid, the following inputs may be defined.
| diameter.max | Maximum diameter to clip distribution | Real | None |
+---------------------+-----------------------------------------------------------------------+-------------+-----------+
| density | Method to specify particle density in the IC region. This is | String | None |
| | only used for auto-generated particles. | | |
| | * constant -- specified constant | | |
| | * uniform -- uniform distribution | | |
| | * normal -- normal distribution | | |
| | only used for auto-generated particles. Available options include: | | |
| | | | |
| | * 'constant' -- specified constant | | |
| | * 'uniform' -- uniform distribution | | |
| | * 'normal' -- normal distribution | | |
+---------------------+-----------------------------------------------------------------------+-------------+-----------+
| density.constant | Value of specified constant particle density | Real | None |
+---------------------+-----------------------------------------------------------------------+-------------+-----------+
@@ -435,7 +462,7 @@ The type of the boundary conditions in the BC region must be defined.
| | * 'po' for pressure outflow BC type | | |
| | * 'mi' for mass inflow BC type | | |
| | * 'nsw' for no-slip wall BC type | | |
| | * 'eb' for setting BCs on the embedded boundary | | |
| | * 'eb' for setting inhomogeneous Dirichlet BCs on the contained EBs | | |
+---------------------+-----------------------------------------------------------------------+-------------+-----------+
For a fluid phase, the following inputs can be defined.
@@ -443,22 +470,26 @@ For a fluid phase, the following inputs can be defined.
+---------------------+-----------------------------------------------------------------------+-------------+-----------+
| | Description | Type | Default |
+=====================+=======================================================================+=============+===========+
| volfrac | Volume fraction [required if bc_region_type="mi"] | Real | None |
| volfrac | Volume fraction [required if bc_region_type='mi'] | Real | None |
+---------------------+-----------------------------------------------------------------------+-------------+-----------+
| pressure | Fluid pressure [required if bc_region_type="po" or "pi"] | Real | None |
| pressure | Fluid pressure [required if bc_region_type='po' or 'pi'] | Real | None |
+---------------------+-----------------------------------------------------------------------+-------------+-----------+
| temperature | Fluid temperature [required if bc_region_type="mi" or "pi"] | Real | None |
| temperature | Fluid temperature [required if bc_region_type='mi' or 'pi'] | Real | 0.0 |
+---------------------+-----------------------------------------------------------------------+-------------+-----------+
| velocity | Velocity components [required if bc_region_type="mi"] | Reals | None |
| velocity | Velocity components [required if bc_region_type='mi'] | Reals | None |
+---------------------+-----------------------------------------------------------------------+-------------+-----------+
| species.[specie0] | Specie [specie0] mass fraction | Real | None |
| | [required if advect_fluid_species and bc_region_type="mi" or "pi"] | | |
| delp_dir | Direction for specified pressure drop. Note that this direction | Int | 0 |
| | should also be periodic. | | |
+---------------------+-----------------------------------------------------------------------+-------------+-----------+
| eb_temperature | Inhomogeneous Dirichlet BC value for temperature on EBs contained in | Real | None |
| | the (tridimensional) region | | |
| | [required if advect_enthalpy and bc_region_type="eb"] | | |
| delp | Pressure drop (Pa) | Real | 0.0 |
+---------------------+-----------------------------------------------------------------------+-------------+-----------+
| species.[specie0] | Specie [specie0] mass fraction [required if advect_fluid_species=1 | Real | None |
| | and bc_region_type='mi' or 'pi']. | | |
+---------------------+-----------------------------------------------------------------------+-------------+-----------+
| eb_temperature | Inhomogeneous Dirichlet BC value for temperature on EBs contained in | Real | 0.0 |
| | the (tridimensional) region [required if advect_enthalpy=1 and | | |
| | bc_region_type='eb']. | | |
+---------------------+-----------------------------------------------------------------------+-------------+-----------+
Below is an example for specifying boundary conditions for a fluid `myfluid`.