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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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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

The rate of development of atomic mixing and temperature equilibration in inertial confinement fusion implosions

The MARBLE project is a novel inertial confinement fusion platform for studying the development of atomic mixing and temperature equilibration in inertial confinement fusion implosions and their impact on thermonuclear burn. Experiments involve the laser-driven implosion of capsules filled with deuterated engineered foams whose pores are filled with a gaseous mixture of hydrogen and tritium. By varying the size of the foam pores, we can study the timescale of the development of atomic mix relative to the development of thermal equilibrium between species. In contrast, previous separated reactant experiments have only provided information on the total amount of mix mass. Additionally, we report on the series of MARBLE experiments [first reported in Haines et al., Nat. Commun. 11, 544 (2020)] performed on the University of Rochester's OMEGA laser facility and detailed and highly resolved three-dimensional radiation-hydrodynamic simulations of the implosions. In both the experimental and simulation results, we observe that the reactants do not achieve thermal equilibrium during the course of the implosion except in atomically mixed regions—i.e., that atomic mixing develops faster than thermal equilibration between species. The results suggest that ion temperature variations in the mixture are at least as important as reactant concentration variations for determining the fusion reaction rates.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Atomic Mixing of Initially Separated Mixtures

We consider the atomic mixing of two materials, initially separated in space, at fixed temperature– pressure conditions [T, p], and zero mass-mean velocity. Each material is composed of a specified set of atomic species whose density corresponds to the specieswise real Equation of State (EOS) $\tilde{&#961}$ i [T, p]. Because there are no spatial gradients in the mean [T, p] state, the only mechanism for mixing is a specieswise nonequilibrium thermal velocity distribution. The recipe for nonequilibrium species mass fluxes is taken directly from Hirschfelder, Curtiss, and Bird, who express the diffusion velocities in terms of gradients in the molar concentrations and pairwise coefficients of diffusion. EOS data from the SESAME library is used for all species. Data for the specieswise self diffusion coefficients is adopted from the Orbital Free Molecular Dynamics (OFMD) simulations of Ticknor et al.; the so-called Darken approximation is used to express the mutual diffusion coefficients of a mixture in the manner used by White et al. A one-dimensional spatial domain is used; with the left half occupied by one multispecies material and the right half occupied by the other, and with zero–gradient boundary conditions at the ends of the domain. Hence the total mass in the domain is a constant. At time t = 0 the materials are separated. Accordingly, spatial gradients at the separation point are infinite and the species fluxes are also infinite. As t → $\textbf{∞}$ the spatial gradients approach zero and a uniform set of species concentrations is obtained; at this point the system is said to be at “thermodynamic equilibrium.” Analytic solution of the problem is not possible in general due to the nonlinear concentration dependence of the species fluxes. Hence we utilize the numerical solution apparatus in Mathematica for obtaining accurate time-dependent solutions for the mixing of various initial species masses for conditions of interest in laser-driven Inertial Confinement Fusion. Concentration profiles and the speed of propagation of the mixing fronts are discussed in light of the nonlinearity of the problem.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1977

Ion-beam-induced atomic mixing

Calculations based on the diffusion model are presented of atomic mixing by ion bombardment. This mixing is assumed to have its basis, as does sputtering, in the collision cascades generated by the primary beam. Sharp interfaces within a target are seen to be smoothed by ion bombardment. Mixing may place fundamental limits on the resolution of ion microprobes.

Haff, P. K.↗
DOE OSTI2022

Modeling atomically mixed graded density impactors

Graded density impactors (GDIs) are multi-material composite impactors used in gas gun experiments to tailor the drive conditions imparted to a sample test material. Previous graded density impactors generally rely on thin, but discrete, layers of different materials. The thinner and the greater number of layers will result in smoother compression. Taken to the limit of very thin layers would be pure material 1 at one surface, such as the front surface of an impactor, smoothly transitioning at the atomic scale to pure material 2 on the back surface. Such an impactor can initially shock, then smoothly compresses a material during a dynamic experiment. This type of experiment can serve to explore a larger region of thermodynamic space than a single or even multi-shock experiments. An overview of how graded density impactors are made is reviewed and sample results are given. Additionally, a strategy for modeling these kinds of impactors is presented. The length scales of constituent mixing are given from the experimental build through electrochemical-deposition. Equation of state models for pure constituents and their subsequent mixtures are presented. It is demonstrated that the time scales for pressure and temperature equilibration, for atomically mixed GDIs, are short enough to be a justifiable closure for the resulting multiphase flow. Furthermore, we present simulation results of dynamic shock followed by a ramp compression, utilizing a silver/gold graded density impactor, onto a tantalum sample.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Probing rutile solid-phase crystallization of atomically mixed Mn-alloyed TiO 2 coatings through XANES analysis

Phase transformation via dopant introduction is an emerging strategy for tuning the electronic and catalytic properties of oxides. However, developing a general theory of ternary alloys and their microstructure evolution remains challenging due to the knowledge gaps in how point defects such as dopants lead to the formation of complex or metastable phases. We investigate the influence of Mn concentration and annealing temperature on the microstructure evolution of amorphous Mn-alloyed TiO 2 synthesized via Atomic Layer Deposition. In conclusion, our findings reveal a new crystallization pathway resulting in a direct amorphous TiO 2 to rutile transformation without an intermediate anatase phase and our multi-parameter thermal processing conditions show potential for AI-assisted data acquisition and analysis for studying complex oxide coatings.

36 MATERIALS SCIENCE↗
NASA NTRS1983

Atomization and mixing study

The state of the art in atomization and mixing for triplet, pentad, and coaxial injectors is described. Injectors that are applicable for LOX/hydrocarbon propellants and main chamber and fuel rich preburner/gas generator mixture ratios are of special interest. Various applicable correlating equations and parameters as well as test data found in the literature are presented. The validity, utility, and important aspects of these data and correlations are discussed and the measurement techniques used are evaluated. Propellant mixing tests performed are described and summarized, results are reported, and tentative conclusions are included.

Ferrenberg, A.↗
NASA NTRS1985

Atomization and Mixing Study

The primary objective was the obtainment of atomization and mixing performance data for a variety of typical liquid oxygen/hydrocarbon injector element designs. Such data are required to establish injector design criteria and to provide critical inputs to liquid rocket engine combustor performance and stability analysis, and computational codes and methods. Deficiencies and problems with the atomization test equipment were identified, and action initiated to resolve them. Test results of the gas/liquid mixing tests indicated that an assessment of test methods was required. A series of 71 liquid/liquid tests were performed.

Ferrenberg, A.↗
NASA NTRS2016

Characterization of an Atomic Hydrogen Source for Charge Exchange Experiments

We characterized the dissociation fraction of a thermal dissociation atomic hydrogen source byinjecting the mixed atomic and molecular output of the source into an electron beam ion trapcontaining highly charged ions and recording the x-ray spectrum generated by charge exchangeusing a high-resolution x-ray calorimeter spectrometer. We exploit the fact that the charge exchangestate-selective capture cross sections are very different for atomic and molecular hydrogen incidenton the same ions, enabling a clear spectroscopic diagnostic of the neutral species.

issociationX-ray spectrometersX-ray spectraMolecul↗
NASA NTRS1993

Fundamental rocket injector/spray programs at the Phillips Laboratory

The performance and stability of liquid rocket engines is determined to a large degree by atomization, mixing, and combustion processes. Control over these processes is exerted through the design of the injector. Injectors in liquid rocket engines are called upon to perform many functions. They must first of all mix the propellants to provide suitable performance in the shortest possible length. For main injectors, this is driven by the tradeoff between the combustion chamber performance, stability, efficiency, and its weight and cost. In gas generators and preburners, however, it is also driven by the possibility of damage to downstream components, for example piping and turbine blades. This can occur if unburned fuel and oxidant later react to create hot spots. Weight and cost considerations require that the injector design be simple and lightweight. For reusable engines, the injectors must also be durable and easily maintained. Suitable atomization and mixing must be produced with as small a pressure drop as possible, so that the size and weight of pressure vessels and turbomachinery can be minimized. However, the pressure drop must not be so small as to promote feed system coupled instabilities. Another important function of the injectors is to ensure that the injector face plate and the chamber and nozzle walls are not damaged. Typically this requires reducing the heat transfer to an acceptable level and also keeping unburned oxygen from chemically attacking the walls, particularly in reusable engines. Therefore the mixing distribution is often tailored to be fuel-rich near the walls. Wall heat transfer can become catastrophically damaging in the presence of acoustic instabilities, so the injector must prevent these from occurring at all costs. In addition to acoustic stability (but coupled with it), injectors must also be kinetically stable. That is, the flame itself must maintain ignition in the combustion chamber. This is not typically a problem with main injectors, but can be a consideration in preburners, where the desire to keep turbine inlet temperatures as cool as possible can make it advantageous for the preburners to operate as far from stoichiometry as can be tolerated. For some missions such as single stage to orbit, all of the above requirements must be maintained over a throttleable range, for example 5:1 to 10:1. Finally, the injectors must be ignitable during startup where pressures and temperatures are far from design conditions, and ignition transients must be minimized in order to avoid damage to engine components. In order to satisfy these various constraints, the injector designer must be able to perform design tradeoff studies, and it is important that this be done with minimal time and costs. In fact, it can easily be argued that reducing engine development time and costs is essential to maintaining U.S. competitiveness in space. The Propulsion Directorate of the Phillips Laboratory has invested in a number of programs to advance liquid rocket engine technology, and several of these are directed at improving design tools for liquid rocket injectors. The purpose of the presentation will be to describe some of these latter programs.

Talley, D. G.↗
DOE OSTI2022

Bound on hot-spot mix in high-velocity, high-adiabat direct-drive cryogenic implosions based on comparison of absolute x-ray and neutron yields

In laser-driven implosions for laboratory fusion, the comparison of hot-spot x-ray yield to neutron production can serve to infer hot-spot mix. For high-performance direct-drive implosions, this ratio depends sensitively on the degree of equilibration between the ion and electron fluids. A scaling for x-ray yield as a function of neutron yield and characteristic ion and electron hot-spot temperatures is developed on the basis of simulations with varying degrees of equilibration. We apply this model to hot-spot x-ray measurements of direct-drive cryogenic implosions typical of the direct-drive designs with best ignition metrics. Furthermore, the comparison of the measured x-ray and neutron yields indicates that hot-spot mix, if present, is below a sensitivity estimated as ~ 2% by-atom mix of ablator plastic into the hot spot.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

SAF Combustion & Soot Processes [Slides]

The atomization, mixing, combustion and emissions characteristics of aviation fuels were measured using a novel approach based on a non-continuous injection scheme called the single-hole atomizer (SHA). High-speed microscopy revealed differences between fuels in terms of evaporation and mixing regimes over conditions relevant to modern and next generation aero-engine combustors. Measurements of liquid and vapor penetration, mixing fields, combustion and emissions metrics (ignition delay, lift-off length, PAH formation, soot mass) highlighted the effects of fuels and combustor conditions. The experimental results are being leveraged to adjust and validate chemical and CFD models. Detailed analysis of sampled soot showed subtle differences in soot morphology between fuels. The results revealed the presence of contaminants potentially affecting surface chemistry and the nucleation propensity of water droplets on particles. Chemical mechanisms for NJFCP A-2, C-1 and C-4 showed good performance over a large parameter space. Spray breakup at relight conditions is vastly different from the atomization observed at high pressure. CFD simulations of the SHA target conditions confirmed the good behavior of the C-1 kinetic mechanism. The simulations support the strong relationship between low and high temperature reactions. New altitude chamber facility to enable detailed characterization of the heterogeneous nucleation process of water on aerosol particles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Irradiation-enhanced diffusion and diffusion-limited creep in U 3 Si 2

U 3 Si 2 is an advanced fuel candidate due to its relatively high fissile density and attractive thermal properties. Compared to standard UO 2 fuel, there are significant data gaps for the thermophysical and thermomechanical properties of U 3 Si 2 . Point defect concentrations and mobilities under irradiation govern a number of important fuel performance properties, such as creep and fission gas release. In this work, we utilized density functional theory (DFT) data to inform a cluster dynamics framework to predict point defect concentrations in U 3 Si 2 under irradiation. Molecular dynamics (MD) simulations were used to examine the contribution of atomic mixing during ballistic cascades to diffusion, as well as the diffusivity of U and Si at grain boundaries. These atomic scale models for diffusivity were then used to inform a creep model based on bulk (Nabarro-Herring) and grain boundary (Coble) diffusional creep, and climb-limited dislocation creep. The model compares well against available experimental data and has been implemented in the BISON fuel performance code. Finally, a demonstration case using simple power profiles has been carried out, showing that negligible creep occurs due to the low temperatures experienced by U 3 Si 2 in-reactor, a consequence of its high thermal conductivity.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗