# Usage
SimNanoDOME can operate in five different simulation workflows:
- [Stand-alone NanoDOME](#stand-alone-nanodome)
- [Stand-alone CFD](#stand-alone-cfd)
- [Stand-alone Elenbaas](#stand-alone-elenbaas)
- [CFD-linked](#cfd-linked)
- [Coupled CFD-NanoDOME](#coupled-cfd-nanodome)
and includes four different SimPhoNy sessions that must be combined in
different ways to realize each operation mode.
```python
from osp.wrappers.simcfd import CFDSession
from osp.wrappers.simcoupledreactor import CoupledReactorSession
from osp.wrappers.simelenbaas import ElenbaasSession
from osp.wrappers.simnanodome import NanoDOMESession
```
Read the [simulation workflows section](#simulation-workflows) to get an overview on what
each one does.
## Simulation inputs
Regardless of the simulation workflow of choice, the inputs of a SimNanoDOME
simulation are instantiated as CUDS objects using the ontology entities
from the `nanofoam` namespace.
```python
from osp.core.namespaces import nanofoam
```
The pattern of CUDS objects that SimNanoDOME expects depends on the simulation workflow,
although it is roughly the same for all of them. To launch a simulation,
you will have to instantiate CUDS objects matching any of the patterns depicted
on the figures from the [simulation workflows section](#simulation-workflows). It is
suggested that you do it in SimPhoNy's default session, and then transfer them
to the adequate sessions depending on the operation mode. A code example of how
to initialize the CUDS objects is provided in
[examples/nanoFoam.py](https://github.com/simphony/SimNanoDOME/blob/master/examples/nanoFoam.py#L22).
Once the inputs of the simulation have been instantiated as CUDS objects, they
must be transferred to one of the SimPhoNy sessions included in the package,
and then such session may be coupled or linked with others. As it can be seen
on the aforementioned figures, there are two CUDS objects that are expected to
be directly connected to the Wrapper CUDS: the `AccuracyLevel` and the
`nanoReactor`. Such objects will be the ones exchanged between the different
sessions to achieve the desired coupling or linking. Read the
[simulation workflows section](#simulation-workflows) to get an overview on what a
simulation workflow does.
## Simulation workflows
### Stand-alone NanoDOME
The user can assess the nano-particle formation without linking to a CFD
software. This could be used for a first-step evaluation of the considered
process' feasibility. The user specifies all the inputs required by nanoDOME
such as gas composition, precursor species and so on.
_Diagram showing the pattern of CUDS objects that SimNanoDOME expects to find
in the session's knowledge graph and the CUDS objects that are produced
as simulation outputs for the nanodome mode._
This operation mode uses the `NanoDOME` session to compute the nanoparticle
size distribution. A code example of how to use this mode is available in
[examples/nanoFoam.py](https://github.com/simphony/SimNanoDOME/blob/master/examples/nanoFoam.py#L228).
### Stand-alone CFD
The user can assess the plasma reactor thermodynamic conditions. This could be used for a first-step evaluation of the considered
process' feasibility. The user specifies all the inputs required by Elenbaas and the CFD software
such as gas composition, plasma source operative conditions and so on.
This operation mode links an `ElenbaasSession` to a `CFDSession`. The
`ElenbaasSession` first computes the plasma source properties, that are then passed
the `CFDSession` to compute the different streamlines.
_Diagram showing the pattern of CUDS objects that SimNanoDOME expects to find
in the session's knowledge graph and the CUDS objects that are produced
as simulation outputs for the cfd mode._
A code example of how to use this mode is available in
[examples/nanoFoam.py](https://github.com/simphony/SimNanoDOME/blob/master/examples/nanoFoam.py#L138).
### Stand-alone Elenbaas
The user can access a very reliable model for computing the thermodynamic
properties of an LTE plasma discharge. This operation mode uses the
`ElenbaasSession` to compute the plasma source properties.
_Diagram showing the pattern of CUDS objects that SimNanoDOME expects to find
in the session's knowledge graph and the CUDS objects that are produced
as simulation outputs for elenbaas mode._
A code example of how to use this mode is available in
[examples/nanoFoam.py](https://github.com/simphony/SimNanoDOME/blob/master/examples/nanoFoam.py#L188).
### CFD-linked
The user can evaluate the nano-particle gas phase synthesis by linking a CFD software and NanoDOME. In this way the thermodynamic properties of the reactor are taken into account.
This is the standard mode.
This operation mode links an `ElenbaasSession` to a `CFDSession` which is then linked to a `NanoDOMESession`. The
`ElenbaasSession` first computes the plasma properties, that are then passed
the `CFDSession` to compute the streamlines and used as input for several `NanoDOMESession` to evaluate the nanoparticle size
distribution.
_Diagram showing the pattern of CUDS objects that SimNanoDOME expects to find
in the session's knowledge graph and the CUDS objects that are produced
as simulation outputs for cfd-linked mode._
A code example of how to use this mode is available in
[examples/nanoFoam.py](https://github.com/simphony/SimNanoDOME/blob/master/examples/nanoFoam.py#L269).
### Coupled CFD-NanoDOME
A simple CFD model is coupled using a reactor network approach to NanoDOME.
This operation mode couples a `CoupledReactorSession` with several `NanoDOMESession`.
At each time step, the results from the previous step are passed to the
`CoupledReactorSession` and then its results to the `NanoDOMESession`. This
operation is repeated for each time step until the pre-established simulation
time has been covered. At the end, the nanoparticle size distribution can be
extracted.
_Diagram showing the pattern of CUDS objects that SimNanoDOME expects to find
in the session's knowledge graph and the CUDS objects that are produced
as simulation outputs for the coupled mode._
A code example of how to use this mode is available in
[examples/nanoFoam.py](https://github.com/simphony/SimNanoDOME/blob/master/examples/nanoFoam.py#L430).
### Examples
The user can develop its own workflow from scratch or using the example available in
[examples/nanoFoam.py](https://github.com/simphony/SimNanoDOME/blob/master/examples/nanoFoam.py#1).
The user can also directly use the example script as it is by selecting the desidered mode and changing the CUDS values.
This is recommended for CFD-linked mode in particular since the linking process is not handled by the wrappers. For this reason a linking algorithm has been provided in the example file.