Usage
Contents
Usage#
SimNanoDOME can operate in five different simulation workflows:
and includes four different SimPhoNy sessions that must be combined in different ways to realize each operation mode.
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 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.
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. 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.
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 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.
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.
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.
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.
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.
Examples#
The user can develop its own workflow from scratch or using the example available in examples/nanoFoam.py. 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.