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Completed TRL 4 (started at 2, targeting 6)
The primary objective of this Task is to develop a new DSMC code, called Multi-physics Algorithm with Particles (MAP), that takes advantage of modern software engineering techniques, in order to improve computational efficiency and create a development environment amenable to the latest advances in DSMC. The secondary objective is to improve physical models by investigating the extension of the phenomenological electronic energy model to other internal energy modes, updating current molecular models, and introducing radiative transport. These improved models may be implemented into the DAC code as an intermediate step to their inclusion in MAP, depending on requirements from the DSMC user community. MAP will be considered Class E software when completed.
The initial phase of this task will be to improve near-term functionality of DAC by updating the current implementation to include extensions of the Quantum-Kinetic (Q-K) model, as well as an ionized flow capability. For the proposed Q-K model extensions, the same methodology used in the electronic energy relaxation model will be implemented for the rotational and vibrational internal energy modes and compared to measured rates from the literature.
In parallel, a new approach to next-generation DSMC software will be sought by developing a new code (MAP) written in C++. Object-oriented codes written in C++ are likely the most flexible and efficient approach for development of new algorithms and physics modules due to their inherent modularity. However, computational efficiency is an equally critical component of software design that must be considered. Therefore, the approach of this task will be to evaluate the new software with regard to (1) Software design and extensibility, (2) Accuracy of solution, and (3) Efficiency of solution. For each category, comparisons will be made against legacy software (e.g. DAC or DSn(V)) in order to identify the relative merits of each software package.
The final phase of this Task will be to update existing models and incorporate radiative transport. Relevant test problems will be used to quantify performance improvements relative to current practice.
The primary challenge to this task will be extension of the Q-K model to other internal energy modes. While early indications suggest that this approach can be successful, it is not known a priori whether the attempted extension of the model will work appropriately outside of the electronic energy mode for which it was developed.
A secondary challenge of this task will be getting the newly developed code sufficiently developed in the short time frame such that it can be reasonably compared with DAC and DS(n)V. Execution speed is also a concern and needs to be addressed by comparing to DAC.
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