4.5.1 Logical Structure of the PROMIS-NT Input Deck

As depicted in Fig. 4.3 a PROMIS-NT input deck forms a hierarchically organized tree of MDL model instances. Starting from the root by iterating to the outer leaves these model instances are responsible for the more and more detailed description of the diffusion simulation to be computed.

Figure 4.3: Structure of the PROMIS-NT input deck

The optional Model instances StartUp and ShutDown build the flanks of the entire input deck structure both in terms of the logical structure and in terms of the simulation flow as they give the user the possibility to define MDL classes which will be evaluated upon startup and shut down of PROMIS-NT. A sample application of these two model instances can be found in Appendix D.

The root of this tree is given by the definition of the PromisNTSetup Model Instance responsible for the general setup of the simulation models and parameters concerning various details of the simulation control (Section 4.5.3.1).

Instance PromisNTSetup = Instance_Name;

The second task for the PromisNTSetup Model Instance is to specify MDL classes which are responsible for

• the process temperature modeling (implemented by a ProcessTemperature
  [4]model, Page )
• optional algorithms which have to be evaluated after all quantities have been initialized to their starting conditions (implemented by a DevicePreProcessing model, Page )
• optional algorithms which have to be evaluated after the post processing of all quantities (implemented by a devicePostProcessing model, Page )
• the optional grid adaption algorithm (implemented by a GridAdaption model, Page )
• the setup of the quantity list (implemented by a QuantityList model, Page )
• the setup of the charge states of the quantities (implemented by a ChargeStateTableModel, Page )
• the setup of MDL models which in turn are responsible to determine all information associated with the whole device (implemented by a DeviceSetup model, Page ).

The above mentioned DeviceSetupModel instance associates with each material segment MDL Model classes which are used to setup all segment specific information:

• The segmentPreProcessingSetup Model instances are responsible for the specification of Model classes which in term are used to initialize all quantity distributions contained in their dedicated segments (Section 4.5.3.10).
• Likewise the segmentPostProcessingSetup Model instances determine the Model classes responsible for the quantity distribution post processing (Section 4.5.3.11).
• The segmentCoefficientSetup Models administer associative lists and arrays determining the Model classes which will be employed to compute the coefficient values of the volume models (4.1) - (4.2) (Section 4.5.3.8).

• Analogously the boundaryCoefficientSetup Models contain information about the Model classes determining the values of the various boundary model coefficients in (4.7) - (4.10) (Section 4.5.3.9).

• The optional string value PotentialQuantity can be used to specify the MDL name of the quantity which computes the value of the built-in potential $\psi$ used in (4.2), thus replacing (4.5).

The next hierarchy level of the input deck is formed by Model instances dedicated to single segments or boundaries between them. All Model instances on this level contain associative lists or arrays containing information about which Model instances to use for the computation of the various quantity concentrations and coefficient values on that segment. For each segment which is subject to the diffusion simulation modeling an own set of segment level Models has to be defined. These Models are described in more detail in Sections 4.5.3.8 to 4.5.3.11.

On the last hierarchy level of Models contained in PROMIS-NT input decks the quantity specific initialization, coefficient and post processing Models can be found. Opposed to the task of all other models discussed so far, these Model instances are not used for the further distribution of information about the model structure but for the actual computation of coefficients or quantity values found in (4.1) - (4.10) (Sections 4.5.3.12 to 4.5.3.14).