Collision cross sections and nonequilibrium viscosity coefficients of N2 and O2 based on molecular dynamics

Topology of the second-order constitutive model based on the Boltzmann–Curtiss kinetic equation for diatomic and polyatomic gases

(2020) S. Singh et al.   PHYSICS OF FLUIDS

Erratum: “Quasi-classical trajectory-based non-equilibrium chemical reaction models for hypersonic air flows” [Phys. Fluids 31, 106102 (2019)]

(2020) Tapan K. Mankodi   PHYSICS OF FLUIDS

A review and perspective on a convergence analysis of the direct simulation Monte Carlo and solution verification

(2019) A. Karchani et al.   PHYSICS OF FLUIDS

On the basic concepts of the direct simulation Monte Carlo method

(2019) S. K. Stefanov   PHYSICS OF FLUIDS

Roles of bulk viscosity on transonic shock-wave/boundary layer interaction

(2019) Sahil Bhola et al.   PHYSICS OF FLUIDS

Development of an impulsive model of dissociation in direct simulation Monte Carlo

(2019) Han Luo et al.   PHYSICS OF FLUIDS

Quasi-classical trajectory-based non-equilibrium chemical reaction models for hypersonic air flows

(2019) Tapan K. Mankodi   PHYSICS OF FLUIDS

Global potential energy surface of ground state singlet spin O4

(2018) Tapan K. Mankodi et al.   JOURNAL OF CHEMICAL PHYSICS

Dissociation cross section for high energy O2–O2 collisions

(2018) T. K. Mankodi et al.   JOURNAL OF CHEMICAL PHYSICS

Potential energy surface of triplet O4

(2018) Yuliya Paukku et al.   JOURNAL OF CHEMICAL PHYSICS

Non-equilibrium effects of diatomic and polyatomic gases on the shock-vortex interaction based on the second-order constitutive model of the Boltzmann-Curtiss equation

(2018) S. Singh et al.   PHYSICS OF FLUIDS

Classical impulsive model for dissociation of diatomic molecules in direct simulation Monte Carlo

(2018) Han Luo et al.   Physical Review Fluids

Dissociation cross sections for N2 + N → 3N and O2 + O → 3O using the QCT method

(2017) Tapan K. Mankodi et al.   JOURNAL OF CHEMICAL PHYSICS

Potential energy surfaces of quintet and singlet O4

(2017) Yuliya Paukku et al.   JOURNAL OF CHEMICAL PHYSICS

Ab initiostate-specific N2+ O dissociation and exchange modeling for molecular simulations

(2017) Han Luo et al.   JOURNAL OF CHEMICAL PHYSICS

A quasiclassical trajectory study of the N2(X1Σ) + O(3P) → NO(X2Π) + N(4S) reaction

(2016) Wei Lin et al.   JOURNAL OF CHEMICAL PHYSICS

Rovibrational energy transfer and dissociation in O2–O collisions

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

Potential energy surface of triplet N2O2

(2016) Zoltan Varga 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

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

Modeling of molecular nitrogen collisions and dissociation processes for direct simulation Monte Carlo

(2014) Neal Parsons et al.   JOURNAL OF CHEMICAL PHYSICS

Monte Carlo simulation of nitrogen dissociation based on state-resolved cross sections

(2014) Jae Gang Kim et al.   PHYSICS OF FLUIDS

Global ab initio ground-state potential energy surface of N4

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

Direct simulation Monte Carlo method for an arbitrary intermolecular potential

(2012) Felix Sharipov et al.   PHYSICS OF FLUIDS

Binary scattering model for Lennard-Jones potential: Transport coefficients and collision integrals for non-equilibrium gas flow simulations

(2012) Ayyaswamy Venkattraman et al.   PHYSICS OF FLUIDS

Bond Breaking and Bond Making in Tetraoxygen: Analysis of the O2(X3Σg−) + O2(X3Σg−) ⇆ O4Reaction Using the Electron Pair Localization Function

(2009) Anthony Scemama et al.   JOURNAL OF PHYSICAL CHEMISTRY A