[HTML][HTML] Construction of a coarse-grain quasi-classical trajectory method. I. Theory and application to N2–N2 system

RL Macdonald, RL Jaffe, DW Schwenke… - The Journal of chemical …, 2018‏ - pubs.aip.org
This work aims to construct a reduced order model for energy transfer and dissociation in
non-equilibrium nitrogen mixtures. The objective is twofold: to present the Coarse-Grain …

Bayesian machine learning approach to the quantification of uncertainties on ab initio potential energy surfaces

S Venturi, RL Jaffe, M Panesi - The Journal of Physical Chemistry …, 2020‏ - ACS Publications
This work introduces a novel methodology for the quantification of uncertainties associated
with potential energy surfaces (PESs) computed from first-principles quantum mechanical …

[HTML][HTML] Construction of a coarse-grain quasi-classical trajectory method. II. Comparison against the direct molecular simulation method

RL Macdonald, MS Grover… - The Journal of …, 2018‏ - pubs.aip.org
This work presents the analysis of non-equilibrium energy transfer and dissociation of
nitrogen molecules (⁠ N 2 (Σ g+ 1)⁠) using two different approaches: the direct molecular …

General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures

Y Liu, M Panesi, A Sahai, M Vinokur - The Journal of chemical physics, 2015‏ - pubs.aip.org
This paper opens a new door to macroscopic modeling for thermal and chemical non-
equilibrium. In a game-changing approach, we discard conventional theories and practices …

[HTML][HTML] Modeling of dissociation and energy transfer in shock-heated nitrogen flows

A Munafò, Y Liu, M Panesi - Physics of Fluids, 2015‏ - pubs.aip.org
This work addresses the modeling of dissociation and energy transfer processes in shock
heated nitrogen flows by means of the maximum entropy linear model and a newly …

Reduced-order model framework for thermochemical non-equilibrium hypersonic flows

RL Macdonald - 2019‏ - ideals.illinois.edu
The study of vehicles traveling at hypersonic speeds is extremely complex and involves
many different non-equilibrium physical phenomena occurring on many different time …

Electron-impact excitation cross sections for modeling non-equilibrium gas

WM Huo, Y Liu, M Panesi, A Wray… - 53rd AIAA Aerospace …, 2015‏ - arc.aiaa.org
I. Introduction uring hypersonic entry into a planetary or lunar atmosphere, space vehicles
may encounter a high temperature and/or rarified gas environment such that the gaseous …

High-enthalpy ionized flows

G Colonna, M Capitelli, LD Pietanza… - Hypersonic …, 2019‏ - iopscience.iop.org
This chapter describes the application of the state-to-state kinetic model to ionized flows.
The first section discusses some general aspects and focuses on reduced-order models …

[معلومات الإصدار][C] Mars entry afterbody radiative heating: An experimental study of nonequilibrium CO2 expanding flow

S Gu - 2018‏ - espace.library.uq.edu.au
This thesis presents an experimental study of high temperature CO2 flows–focusing on CO2
flows subjected to rapidly expanding conditions relevant to Mars entry and representative of …

[معلومات الإصدار][C] Modelling and Simulation of Non-Equilibrium Hypersonic Expanding Flows

B Semple - 2018‏ - espace.library.uq.edu.au
Planetary re-entry from interstellar vehicles has presented many difficulties in design and
safety over the years, and this is still a problem to this day. While many methods allow …