A variant of the direct simulation Monte Carlo (DSMC) method, referred to as direct
molecular simulation (DMS), is used to study oxygen dissociation from first principles. The …

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 …

A potential energy surface (PES) for high-energy collisions between nitrogen molecules is
useful for modeling chemical dynamics in shock waves and plasmas. In the present work …

This paper summarizes research performed over the past decade on the direct molecular
simulation of dilute gas flows. Similar to the molecular dynamics method, a potential energy …

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 …

This paper presents molecular dynamics calculations of vibrational energy transfer and
nonequilibrium dissociation in O 2+ O collisions. The O 2+ O interactions are modeled using …

The present paper describes a recent characterization of thermochemical nonequilibrium for
shock speeds between 7 and 9 km/s in the NASA Ames Electric Arc Shock Tube (EAST) …

I. Introduction he atmospheres of Mars and Venus are composed primarily of CO2 with
lesser amounts of N2 and Ar. Vehicles entering these atmospheres encounter significant …

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 …

In this article we present a comparative atomic level study analyzing the vibrational
excitation and dissociation of molecular nitrogen due to N 2 (1 Σ g+)+ N (4 S u) and N 2 (1 Σ …