State-Resolved Aerothermodynamic Modeling for Air Using QCT Data
Abstract
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.
Document Details
- Document Type
- Technical Report
- Publication Date
- Dec 20, 2018
- Accession Number
- AD1090770
Entities
People
- Thomas E. Schwartzentruber
Organizations
- Regents of the University of Minnesota