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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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NASA NTRS1986

Unimolecular diffusion-mediated reactions with a nonrandom time-modulated absorbing barrier

A diffusion-reaction model with time-dependent reactivity is formulated and applied to unimolecular reactions. The model is solved exactly numerically and approximately analytically for the unreacted fraction as a function of time. It is shown that the approximate analytical solution is valid even when the system is far from equilibrium, and when the reactivity probability is more complicated than a square-wave function of time. A discussion is also given of an approach to problems of this type using a stochastically fluctuating reactivity, and the first-passage time for a particular example is derived.

Bashford, D.↗

NASA NTRS1993

Simulations of diffusion-reaction equations with implications to turbulent combustion modeling

An enhanced diffusion-reaction reaction system (DRS) is proposed as a statistical model for the evolution of multiple scalars undergoing mixing and reaction in an isotropic turbulence field. The DRS model is close enough to the scalar equations in a reacting flow that other statistical models of turbulent mixing that decouple the velocity field from scalar mixing and reaction (e.g. mapping closure model, assumed-pdf models) cannot distinguish the model equations from the original equations. Numerical simulations of DRS are performed for three scalars evolving from non-premixed initial conditions. A simple one-step reversible reaction is considered. The data from the simulations are used (1) to study the effect of chemical conversion on the evolution of scalar statistics, and (2) to evaluate other models (mapping-closure model, assumed multivariate beta-pdf model).

Girimaji, Sharath S.↗

NASA NTRS2016

Materials Outgassing Rate Decay in Vacuum at Isothermal Conditions

As a laboratory for scientific research, the International Space Station has been in Low Earth Orbit for nearly 20 years and is expected to be on-orbit for another 10 years. The ISS has been maintaining a relatively pristine contamination environment for science payloads. Materials outgassing induced contamination is currently the dominant source for sensitive surfaces on ISS and modeling the outgassing rate decay over a 20 to 30 year period is challenging. Materials outgassing is described herein as a diffusion-reaction process using ASTM E 1559 rate data. The observation of -1/2 (diffusion) or non-integers (reaction limited) as rate decay exponents for common ISS materials indicate classical reaction kinetics is unsatisfactory in modeling materials outgassing. Non-randomness of reactant concentrations at the interface is the source of this deviation from classical reaction kinetics. A diffusion limited decay was adopted as the result of the correlation of the contaminant layer thicknesses on returned ISS hardware, the existence of high outgassing silicone exhibiting near diffusion limited decay, and the confirmation of non-depleted material after ten years in the Low Earth Orbit.Keywords: Materials Outgassing, ASTM E 1559, Reaction Kinetics, Diffusion, Space Environments Effects, Contamination

Huang, Alvin Y.↗

NASA NTRS2014

RITRACKS: A Software for Simulation of Stochastic Radiation Track Structure, Micro and Nanodosimetry, Radiation Chemistry and DNA Damage for Heavy Ions

The code RITRACKS (Relativistic Ion Tracks) has been developed over the last few years at the NASA Johnson Space Center to simulate the effects of ionizing radiations at the microscopic scale, to understand the effects of space radiation at the biological level. The fundamental part of this code is the stochastic simulation of radiation track structure of heavy ions, an important component of space radiations. The code can calculate many relevant quantities such as the radial dose, voxel dose, and may also be used to calculate the dose in spherical and cylindrical targets of various sizes. Recently, we have incorporated DNA structure and damage simulations at the molecular scale in RITRACKS. The direct effect of radiations is simulated by introducing a slight modification of the existing particle transport algorithms, using the Binary‐Encounter‐Bethe model of ionization cross sections for each molecular orbitals of DNA. The simulation of radiation chemistry is done by a step‐by‐step diffusion‐reaction program based on the Green's functions of the diffusion equation]. This approach is also used to simulate the indirect effect of ionizing radiation on DNA. The software can be installed independently on PC and tablets using the Windows operating system and does not require any coding from the user. It includes a Graphic User Interface (GUI) and a 3D OpenGL visualization interface. The calculations are executed simultaneously (in parallel) on multiple CPUs. The main features of the software will be presented.

Plante, I↗

NASA NTRS1987

Optimal cure cycle design of a resin-fiber composite laminate

A unified computed aided design method was studied for the cure cycle design that incorporates an optimal design technique with the analytical model of a composite cure process. The preliminary results of using this proposed method for optimal cure cycle design are reported and discussed. The cure process of interest is the compression molding of a polyester which is described by a diffusion reaction system. The finite element method is employed to convert the initial boundary value problem into a set of first order differential equations which are solved simultaneously by the DE program. The equations for thermal design sensitivities are derived by using the direct differentiation method and are solved by the DE program. A recursive quadratic programming algorithm with an active set strategy called a linearization method is used to optimally design the cure cycle, subjected to the given design performance requirements. The difficulty of casting the cure cycle design process into a proper mathematical form is recognized. Various optimal design problems are formulated to address theses aspects. The optimal solutions of these formulations are compared and discussed.

Hou, Jean W.↗

NASA NTRS1984

Direct simulations of chemically reacting turbulent mixing layers

The report presents the results of direct numerical simulations of chemically reacting turbulent mixing layers. The work consists of two parts: (1) the development and testing of a spectral numerical computer code that treats the diffusion reaction equations; and (2) the simulation of a series of cases of chemical reactions occurring on mixing layers. The reaction considered is a binary, irreversible reaction with no heat release. The reacting species are nonpremixed. The results of the numerical tests indicate that the high accuracy of the spectral methods observed for rigid body rotation are also obtained when diffusion, reaction, and more complex flows are considered. In the simulations, the effects of vortex rollup and smaller scale turbulence on the overall reaction rates are investigated. The simulation results are found to be in approximate agreement with similarity theory. Comparisons of simulation results with certain modeling hypotheses indicate limitations in these hypotheses. The nondimensional product thickness computed from the simulations is compared with laboratory values and is found to be in reasonable agreement, especially since there are no adjustable constants in the method.

Riley, J. J.↗

NASA NTRSDate not supplied

Extinction of the Stagnation Point Diffusion Flame: Effect of Conductive Heat Loss into Solid Interior

The planned microgravity experiment Growth and Extinction Limit (GEL) is designed to study the material flammability and extinction of thermally thick solid with an emphasis to quantify the effect of conductive heat loss into the solid interior by measuring the in-depth temperature profile. To obtain a more detailed understanding of the extinction phenomena, a previously developed one-dimensional axisymmetric stagnation-point diffusion flame model is expanded to account for the excessive heat loss into the solid beyond the steady burning state. This is important because for thick solids, this is important because the burning period can have a long and slow solid transient with a quasi-steady gas -phase. A non-dimensional excessive conductive heat loss parameter Ψ is defined in the paper and extensive numerical computations have been performed to determine the extinction boundary and the characteristics of near-limit flames. The classical U-shaped flammability boundary in the oxygen vs. stretch rate plot now becomes a series of U-shaped boundaries as a function of Ψ. For a given oxygen ambient, extinction boundary is a function of Ψ. The boundary consists of a blowoff branch and a radiative quenching branch. This is similar to the steady burning flammability boundary (Ψ =0) in the oxygen vs stretch rate plot. Extensive computed data including flame and pyrolysis temperatures, burning rate, flame standoff distance, and reaction rate are presented along the extinction boundaries. In particular, we note that the non-dimensional gas reaction rate is the ratio of diffusion reaction time to the reaction diffusion time, so it has the classical Damhkoler number character. By examining the maximum non-dimensional reaction rates, we observe that along the extinction boundaries, they are approximate constant across the entire range of stretch rates (from quenching to blow-off). These critical values are of the order unity but may vary in different oxygen ambient. The implication will be discussed in the presentation together with the near-limit flame structures.

Chengyao Li↗