Adaptive coarse graining method for energy transfer and dissociation kinetics of polyatomic species

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

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

Quantum and quasi-classical collisional dynamics of O2–Ar at high temperatures

(2016) Inga S. Ulusoy 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

Nonequilibrium radiation and dissociation of CO molecules in shock-heated flows

(2016) R. L. Macdonald et al.   Physical Review Fluids

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

Communication: Surface-to-bulk diffusion of isolated versus interacting C atoms in Ni(111) and Cu(111) substrates: A first principle investigation

(2015) Abhilash Harpale 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

Systematic validation of non-equilibrium thermochemical models using Bayesian inference

(2015) Kenji Miki et al.   JOURNAL OF COMPUTATIONAL PHYSICS

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

(2015) A. Munafò 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

Energy transfer models in nitrogen plasmas: Analysis of N2(XΣg+1)–N(4Su)–e− interaction

(2014) K. L. Heritier et al.   JOURNAL OF CHEMICAL PHYSICS

Potential energy surface fitting by a statistically localized, permutationally invariant, local interpolating moving least squares method for the many-body potential: Method and application to N4

(2014) Jason D. Bender et al.   JOURNAL OF CHEMICAL PHYSICS

A spectral-Lagrangian Boltzmann solver for a multi-energy level gas

(2014) Alessandro Munafò et al.   JOURNAL OF COMPUTATIONAL PHYSICS

Boltzmann rovibrational collisional coarse-grained model for internal energy excitation and dissociation in hypersonic flows

(2014) A. Munafò et al.   PHYSICAL REVIEW E

Nonequilibrium shock-heated nitrogen flows using a rovibrational state-to-state method

(2014) M. Panesi et al.   PHYSICAL REVIEW E

State-to-state models for CO2 molecules: From the theory to an application to hypersonic boundary layers

(2013) I. Armenise et al.   CHEMICAL PHYSICS

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

Collisional radiative coarse-grain model for ionization in air

(2013) Marco Panesi et al.   PHYSICS OF FLUIDS

Modeling of non-equilibrium phenomena in expanding flows by means of a collisional-radiative model

(2013) A. Munafò et al.   PHYSICS OF PLASMAS

Complexity reduction of collisional-radiative kinetics for atomic plasma

(2013) Hai P. Le et al.   PHYSICS OF PLASMAS

Elaboration of collisional–radiative models for flows related to planetary entries into the Earth and Mars atmospheres

(2013) Arnaud Bultel et al.   PLASMA SOURCES SCIENCE & TECHNOLOGY

Conservative Residual Distribution Method for Viscous Double Cone Flows in Thermochemical Nonequilibrium

(2012) Andrea Lani et al.   Communications in Computational Physics

QCT-based vibrational collisional models applied to nonequilibrium nozzle flows

(2012) A. Munafò et al.   EUROPEAN PHYSICAL JOURNAL D

Probabilistic models and uncertainty quantification for the ionization reaction rate of atomic Nitrogen

(2012) K. Miki et al.   JOURNAL OF COMPUTATIONAL PHYSICS

State-resolved thermochemical nonequilibrium analysis of hydrogen mixture flows

(2012) Jae Gang Kim et al.   PHYSICS OF FLUIDS

Estimation of the nitrogen ionization reaction rate using electric arc shock tube data and Bayesian model analysis

(2012) K. Miki et al.   PHYSICS OF PLASMAS

State-to-state modeling of a recombining nitrogen plasma experiment

(2011) Christophe O. Laux et al.   CHEMICAL PHYSICS

Accurate Double Many-Body Expansion Potential Energy Surface for N3(4A′′) from Correlation Scaled ab Initio Energies with Extrapolation to the Complete Basis Set Limit†

(2009) B. R. L. Galvão et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Master Equation Study and Nonequilibrium Chemical Reactions for H + H2 and He + H2

(2009) Jae Gang Kim et al.   JOURNAL OF THERMOPHYSICS AND HEAT TRANSFER

Recombination-Assisted Nitrogen Dissociation Rates Under Nonequilibrium Conditions

(2008) Gianpiero Colonna et al.   JOURNAL OF THERMOPHYSICS AND HEAT TRANSFER