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State-Resolved Aerothermodynamic Modeling for Air Using QCT Data

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Technical Report,21 Jun 2017,20 Dec 2018

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Regents of the University of Minnesota Minneapolis United States

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Recently, due to continued advancements in computational chemistry and large-scale parallel computing, molecular level physics can be investigated using ab-initio computations. The most common analysis technique is called Quasi-Classical-Trajectory QCT analysis, wherein a large number of individual molecular collisions are simulated using a potential energy surface PES that dictates the forces on individual atoms comprising the molecules. Since the molecular systems of interest for air are small typically 2-4 atoms, the PES can be fit to highly accurate electronic structure calculations. In the past 5 years a number of such results have been reported. The challenge now is to reduce this huge amount of data into accurate, yet tractable, models for predictive hypersonic flow simulations. The goal of the grant research was to develop accurate, yet tractable, models for both the direct simulation Monte Carlo DSMC particle method as well as for continuum computational fluid dynamics CFD methods.

Subject Categories:

  • Fluid Mechanics
  • Aerodynamics

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