Direct Molecular Simulation of Nonequilibrium Dilute Gases

Thermal relaxation of molecular oxygen in collisions with nitrogen atoms

(2016) Daniil A. Andrienko et al.   JOURNAL OF CHEMICAL PHYSICS

Ab initio-informed maximum entropy modeling of rovibrational relaxation and state-specific dissociation with application to the O2 + O system

(2016) Marat Kulakhmetov et al.   JOURNAL OF CHEMICAL PHYSICS

Dynamics of nitrogen dissociation from direct molecular simulation

(2016) Paolo Valentini et al.   Physical Review Fluids

Investigation of oxygen vibrational relaxation by quasi-classical trajectory method

(2015) Daniil Andrienko et al.   CHEMICAL PHYSICS

An improved potential energy surface and multi-temperature quasiclassical trajectory calculations of N2 + N2 dissociation reactions

(2015) Jason D. Bender et al.   JOURNAL OF CHEMICAL PHYSICS

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

(2015) Yen Liu et al.   JOURNAL OF CHEMICAL PHYSICS

Oxygen transport properties estimation by classical trajectory–direct simulation Monte Carlo

(2015) Domenico Bruno et al.   PHYSICS OF FLUIDS

High fidelity modeling of thermal relaxation and dissociation of oxygen

(2015) Daniil A. Andrienko et al.   PHYSICS OF FLUIDS

Direct molecular simulation of nitrogen dissociation based on an ab initio potential energy surface

(2015) Paolo Valentini et al.   PHYSICS OF FLUIDS

Progress and future prospects for particle-based simulation of hypersonic flow

(2015) Thomas E. Schwartzentruber et al.   PROGRESS IN AEROSPACE SCIENCES

Nonequilibrium-Direction-Dependent Rotational Energy Model for Use in Continuum and Stochastic Molecular Simulation

(2014) Chonglin Zhang et al.   AIAA JOURNAL

Rovibrational coupling in molecular nitrogen at high temperature: An atomic-level study

(2014) Paolo Valentini et al.   PHYSICS OF FLUIDS

State-resolved master equation analysis of thermochemical nonequilibrium of nitrogen

(2013) Jae Gang Kim et al.   CHEMICAL PHYSICS

Rovibrational internal energy transfer and dissociation of N2(1Σg+)−N(4Su) system in hypersonic flows

(2013) Marco Panesi et al.   JOURNAL OF CHEMICAL PHYSICS

Global ab initio ground-state potential energy surface of N4

(2013) Yuliya Paukku et al.   JOURNAL OF CHEMICAL PHYSICS

GPU-accelerated Classical Trajectory Calculation Direct Simulation Monte Carlo applied to shock waves

(2013) Paul Norman et al.   JOURNAL OF COMPUTATIONAL PHYSICS

Molecular Dynamics Simulations of Shock Waves in Mixtures of Noble Gases

(2013) Paolo Valentini et al.   JOURNAL OF THERMOPHYSICS AND HEAT TRANSFER

Particle Simulations of Planetary Probe Flows Employing Automated Mesh Refinement

(2011) Da Gao et al.   JOURNAL OF SPACECRAFT AND ROCKETS

A combined Event-Driven/Time-Driven molecular dynamics algorithm for the simulation of shock waves in rarefied gases

(2009) Paolo Valentini et al.   JOURNAL OF COMPUTATIONAL PHYSICS

Large-scale molecular dynamics simulations of normal shock waves in dilute argon

(2009) Paolo Valentini et al.   PHYSICS OF FLUIDS