Physical Mechanics, a New Field in Engineering Science

The purpose of physical mechanics is to predict the engineering behavior of matter in bulk form from the microscopic properties of its molecular and atomic constituents. The constants and basic concepts of this new engineering science, of particular importance to rocket and jet propulsion, are discussed in this paper

Rayleigh-Brillouin scattering in SF6_6 in the kinetic regime

Rayleigh-Brillouin spectral profiles are measured with a laser-based scatterometry setup for a 90 degrees scattering angle at a high signal-to-noise ratio (r.m.s. noise below 0.15 \% w.r.t. peak intensity) in sulphur-hexafluoride gas for pressures in the range 0.2 -- 5 bar and for a wavelength of $\lambda=403.0$ nm. The high quality data are compared to a number of light scattering models in order to address the effects of rotational and vibrational relaxation. While the vibrational relaxation rate is so slow that vibration degrees of freedom remain frozen, rotations relax on time scales comparable to those of the density fluctuations. Therefore, the heat capacity, the thermal conductivity and the bulk viscosity are all frequency-dependent transport coefficients. This is relevant for the Tenti model that depends on the values chosen for these transport coefficients. This is not the case for the other two models considered: a kinetic model based on rough-sphere interactions, and a model based on fluctuating hydrodynamics. The deviations with the experiment are similar between the three different models, except for the hydrodynamic model at pressures $p \lesssim 2\;{\rm bar}$. As all models are in line with the ideal gas law, we hypothesize the presence of real gas effects in the measured spectra.Comment: 8 pages, 3 figures, Chemical Physics Letters 201

Spatially hybrid computations for streamer discharges: II. Fully 3D simulations

We recently have presented first physical predictions of a spatially hybrid model that follows the evolution of a negative streamer discharge in full three spatial dimensions; our spatially hybrid model couples a particle model in the high field region ahead of the streamer with a fluid model in the streamer interior where electron densities are high and fields are low. Therefore the model is computationally efficient, while it also follows the dynamics of single electrons including their possible run-away. Here we describe the technical details of our computations, and present the next step in a systematic development of the simulation code. First, new sets of transport coefficients and reaction rates are obtained from particle swarm simulations in air, nitrogen, oxygen and argon. These coefficients are implemented in an extended fluid model to make the fluid approximation as consistent as possible with the particle model, and to avoid discontinuities at the interface between fluid and particle regions. Then two splitting methods are introduced and compared for the location and motion of the fluid-particle-interface in three spatial dimensions. Finally, we present first results of the 3D spatially hybrid model for a negative streamer in air

Functional Relationships between Kinetic, Flow, and Geometrical Parameters in a High-Temperature Chemical Microreactor.

Computational fluid dynamics (CFD) simulations and isothermal approximation were applied for the interpretation of experimental measurements of the C10H7Br pyrolysis efficiency in the high-temperature microreactor and of the pressure drop in the flow tube of the reactor. Applying isothermal approximation allows the derivation of analytical relationships between the kinetic, gas flow, and geometrical parameters of the microreactor, which, along with CFD simulations, accurately predict the experimental observations. On the basis of the obtained analytical relationships, a clear strategy for measuring rate coefficients of (pseudo) first-order bimolecular and unimolecular reactions using the microreactor was proposed. The pressure- and temperature-dependent rate coefficients for the C10H7Br pyrolysis calculated using variable reaction coordinate transition state theory were invoked to interpret the experimental data on the pyrolysis efficiency

Atmospheric chemistry of C4F9OC2H5 (HFE-7200), C4F9OCH3 (HFE-7100), C3F7OCH3 (HFE-7000) and C3F7CH2OH: temperature dependence of the kinetics of their reactions with OH radicals, atmospheric lifetimes and global warming potentials

The atmospheric chemistry of several gases used in industrial applications, C4F9OC2H5 (HFE-7200), C4F9OCH3 (HFE-7100), C3F7OCH3 (HFE-7000) and C3F7CH2OH, has been studied. The discharge flow technique coupled with mass-spectrometric detection has been used to study the kinetics of their reactions with OH radicals as a function of temperature. The infrared spectra of the compounds have also been measured. The following Arrhenius expressions for the reactions were determined (in units of cm3 molecule-1 s-1): k(OH + HFE-7200) = (6.9+2.3-1.7) × 10-11 exp(-(2030 ± 190)/T); k(OH + HFE-7100) = (2.8+3.2-1.5) × 10-11 exp(-(2200 ± 490)/T); k(OH + HFE-7000) = (2.0+1.2-0.7) × 10-11 exp(-(2130 ± 290)/T); and k(OH + C3F7CH2OH) = (1.4+0.3-0.2) × 10-11 exp(-(1460 ± 120)/T). From the infrared spectra, radiative forcing efficiencies were determined and compared with earlier estimates in the literature. These were combined with the kinetic data to estimate 100-year time horizon global warming potentials relative to CO2 of 69, 337, 499 and 36 for HFE-7200, HFE-7100, HFE-7000 and CF3CF2CF2CH2OH, respectively

High temperature electronic excitation and ionization rates in gases

The relaxation times for electronic excitation due to electron bombardment of atoms was found to be quite short, so that electron kinetic temperature (T sub e) and the electron excitation temperature (T asterisk) should equilibrate quickly whenever electrons are present. However, once equilibrium has been achieved, further energy to the excited electronic states and to the kinetic energy of free electrons must be fed in by collisions with heavy particles that cause vibrational and electronic state transitions. The rate coefficients for excitation of electronic states produced by heavy particle collision have not been well known. However, a relatively simple semi-classical theory has been developed here which is analytic up to the final integration over a Boltzmann distribution of collision energies; this integral can then be evaluated numerically by quadrature. Once the rate coefficients have been determined, the relaxation of electronic excitation energy can be evaluated and compared with the relaxation rates of vibrational excitation. Then the relative importance of these two factors, electronic excitation and vibrational excitation by heavy particle collision, on the transfer of energy to free electron motion, can be assessed

LAURA Users Manual: 5.6

This users manual provides in-depth information concerning installation and execution of Laura, version 5. Laura is a structured, multiblock, computational aerothermodynamic simulation code. Version 5 represents a major refactoring of the original Fortran 77 Laura code toward a modular structure afforded by Fortran 95. The refactoring improved usability and maintainability by eliminating the requirement for problem-dependent recompilations, providing more intuitive distribution of functionality, and simplifying inter- faces required for multi-physics coupling. As a result, Laura now shares gas-physics modules, MPI modules, and other low-level modules with the Fun3D unstructured-grid code. In addition to internal refactoring, several new features and capabilities have been added, e.g., a GNU-standard installation process, parallel load balancing, automatic trajectory point sequencing, free-energy minimization, and coupled ablation and flow field radiation

Time-dependent computational studies of flames in microgravity

The research performed at the Center for Reactive Flow and Dynamical Systems in the Laboratory for Computational Physics and Fluid Dynamics, at the Naval Research Laboratory, in support of the NASA Microgravity Science and Applications Program is described. The primary focus was on investigating fundamental questions concerning the propagation and extinction of premixed flames in Earth gravity and in microgravity environments. The approach was to use detailed time-dependent, multispecies, numerical models as tools to simulate flames in different gravity environments. The models include a detailed chemical kinetics mechanism consisting of elementary reactions among the eight reactive species involved in hydrogen combustion, coupled to algorithms for convection, thermal conduction, viscosity, molecular and thermal diffusion, and external forces. The external force, gravity, can be put in any direction relative to flame propagation and can have a range of values. A combination of one-dimensional and two-dimensional simulations was used to investigate the effects of curvature and dilution on ignition and propagation of flames, to help resolve fundamental questions on the existence of flammability limits when there are no external losses or buoyancy forces in the system, to understand the mechanism leading to cellular instability, and to study the effects of gravity on the transition to cellular structure. A flame in a microgravity environment can be extinguished without external losses, and the mechanism leading to cellular structure is not preferential diffusion but a thermo-diffusive instability. The simulations have also lead to a better understanding of the interactions between buoyancy forces and the processes leading to thermo-diffusive instability