First-principles predictions for shear viscosity of air components at high temperature

P Valentini, AM Verhoff, MS Grover… - Physical Chemistry …, 2023 - pubs.rsc.org
The direct molecular simulation (DMS) method is used to obtain shear viscosity data for non-
reacting air and its components by simulating isothermal, plane Poiseuille subsonic flows …

Shock-layer measurements in T5 shock tunnel hypersonic flows around a cylinder model

PM Finch, JJ Girard, T Schwartz, CL Strand… - AIAA Journal, 2024 - arc.aiaa.org
We report on near-body measurements of temperature and nitric oxide (NO) concentration in
the hypersonic flows around a cylindrical test article in the Caltech T5 reflected shock tunnel …

Exhaustive State-to-State Cross Sections and Rate Coefficients for Inelastic N2–N2 Collisions using QCT Combined with Neural Network Models

CM Guo, H Zhang, XL Cheng - The Journal of Physical Chemistry …, 2024 - ACS Publications
Using the quasi-classical trajectory method, we systematically studied the state-to-state
vibrational relaxation process of N2 (v 1)+ N2 (v 2) collisions over a wide temperature range …

Direct molecular simulation of oxygen dissociation across normal shocks

E Torres, TE Schwartzentruber - Theoretical and Computational Fluid …, 2022 - Springer
We present direct molecular simulations (DMSs) of rovibrational excitation and dissociation
of oxygen across normal shock waves. These are the first atomistic simulations of normal …

Molecular simulation of flows in thermochemical non-equilibrium around a cylinder using ab initio potential energy surfaces for N2+ N and N2+ N2 interactions

P Valentini, MS Grover, N Bisek, A Verhoff - Physics of Fluids, 2021 - pubs.aip.org
We present two-dimensional direct molecular simulation (DMS) results for high-enthalpy
nitrogen flows in thermochemical non-equilibrium around a circular cylinder. The …

Toward ab initio molecular simulation of reacting air: Mach 15 air flow over a blunt wedge

P Valentini, MS Grover, NJ Bisek - Journal of Fluid Mechanics, 2024 - cambridge.org
We present a Mach 15 air flow over a blunt two-dimensional wedge simulated using the
direct molecular simulation method. As electronically excited states are not modelled, the …

Near-continuum, hypersonic oxygen flow over a double cone simulated by direct simulation Monte Carlo informed from quantum chemistry

P Valentini, MS Grover, AM Verhoff… - Journal of Fluid …, 2023 - cambridge.org
A large-scale, fully resolved direct simulation Monte Carlo (DSMC) computation of a non-
equilibrium, reactive flow of pure oxygen over a double cone is presented. Under the …

Thermochemical nonequilibrium effects on high-enthalpy double-wedge flows

Q Hong, J Hao, KCK Uy, CY Wen, Q Sun - Physics of Fluids, 2022 - pubs.aip.org
A hypersonic laminar flow over double wedges with a fixed forward angle of 15 and varied
aft angles is studied using computational fluid dynamics and global stability analysis (GSA) …

First principles simulation of reacting hypersonic flow over a blunt wedge

MS Grover, AM Verhoff, P Valentini, NJ Bisek - Physics of Fluids, 2023 - pubs.aip.org
This article presents molecular-level analysis of a reactive, near-continuum, Mach 21
nitrogen flow over a blunt wedge using the direct molecular simulation (DMS) method. The …

Application of DeepOnet to model inelastic scattering probabilities in air mixtures

M Sharma Priyadarshini, S Venturi… - AIAA Aviation 2021 …, 2021 - arc.aiaa.org
View Video Presentation: https://doi. org/10.2514/6.2021-3144. vid Hypersonic conditions
during (re-) entry flight demand accurate representation of the non-equilibrium flow physics …