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At least 1,459 records · Page 81

Computational Simulation of Acoustic Modes in Rocket Combustors

A combination of computational fluid dynamic analysis and analytical solutions is being used to characterize the dominant modes in liquid rocket engines in conjunction with laboratory experiments. The analytical solutions are based on simplified geometries and flow conditions and are used for careful validation of the numerical formulation. The validated computational model is then extended to realistic geometries and flow conditions to test the effects of various parameters on chamber modes, to guide and interpret companion laboratory experiments in simplified combustors, and to scale the measurements to engine operating conditions. In turn, the experiments are used to validate and improve the model. The present paper gives an overview of the numerical and analytical techniques along with comparisons illustrating the accuracy of the computations as a function of grid resolution. A representative parametric study of the effect of combustor mean flow Mach number and combustor aspect ratio on the chamber modes is then presented for both transverse and longitudinal modes. The results show that higher mean flow Mach numbers drive the modes to lower frequencies. Estimates of transverse wave mechanics in a high aspect ratio combustor are then contrasted with longitudinal modes in a long and narrow combustor to provide understanding of potential experimental simulations.

Harper, Brent↗

Cryogenic Pressure Control Modeling for Ellipsoidal Space Tanks in Reduced Gravity

A computational fluid dynamics (CFD) model is developed to simulate pressure control of an ellipsoidal-shaped liquid hydrogen tank under external heating in low gravity. Pressure control is provided by an axial jet thermodynamic vent system (TVS) centered within the vessel that injects cooler liquid into the tank, mixing the contents and reducing tank pressure. The two-phase cryogenic tank model considers liquid hydrogen in its own vapor with liquid density varying with temperature only and a fully compressible ullage. The axisymmetric model is developed using a custom version of the commercially available FLOW-3D software and simulates low gravity extrapolations of engineering checkout tests performed at Marshall Space Flight Center in 1999 in support of the Solar Thermal Upper Stage Technology Demonstrator (STUSTD) program. Model results illustrate that stable low gravity liquid-gas interfaces are maintained during all phases of the pressure control cycle. Steady and relatively smooth ullage pressurization rates are predicted. This work advances current low gravity CFD modeling capabilities for cryogenic pressure control and aids the development of a low cost CFD-based design process for space hardware.

Hedayat, Ali↗

Cryogenic Pressure Control Modeling for Ellipsoidal Space Tanks

A computational fluid dynamics (CFD) model is developed to simulate pressure control of an ellipsoidal-shaped liquid hydrogen tank under external heating in normal gravity. Pressure control is provided by an axial jet thermodynamic vent system (TVS) centered within the vessel that injects cooler liquid into the tank, mixing the contents and reducing tank pressure. The two-phase cryogenic tank model considers liquid hydrogen in its own vapor with liquid density varying with temperature only and a fully compressible ullage. The axisymmetric model is developed using a custom version of the commercially available FLOW-31) software. Quantitative model validation is ,provided by engineering checkout tests performed at Marshall Space Flight Center in 1999 in support of the Solar Thermal Upper Stage_ Technology Demonstrator (STUSTD) program. The engineering checkout tests provide cryogenic tank self-pressurization test data at various heat leaks and tank fill levels. The predicted self-pressurization rates, ullage and liquid temperatures at discrete locations within the STUSTD tank are in good agreement with test data. The work presented here advances current CFD modeling capabilities for cryogenic pressure control and helps develop a low cost CFD-based design process for space hardware.

Lopez, Alfredo↗

Computational simulation of liquid fuel rocket injectors

A major component of any liquid propellant rocket is the propellant injection system. Issues of interest include the degree of liquid vaporization and its impact on the combustion process, the pressure and temperature fields in the combustion chamber, and the cooling of the injector face and chamber walls. The Finite Difference Navier-Stokes (FDNS) code is a primary computational tool used in the MSFC Computational Fluid Dynamics Branch. The branch has dedicated a significant amount of resources to development of this code for prediction of both liquid and solid fuel rocket performance. The FDNS code is currently being upgraded to include the capability to model liquid/gas multi-phase flows for fuel injection simulation. An important aspect of this effort is benchmarking the code capabilities to predict existing experimental injection data. The objective of this MSFC/ASEE Summer Faculty Fellowship term was to evaluate the capabilities of the modified FDNS code to predict flow fields with liquid injection. Comparisons were made between code predictions and existing experimental data. A significant portion of the effort included a search for appropriate validation data. Also, code simulation deficiencies were identified.

Landrum, D. Brian↗

The Physics of Hard Spheres Experiment on MSL-1: Required Measurements and Instrument Performance

The Physics of HArd Spheres Experiment (PHaSE), one of NASA Lewis Research Center's first major light scattering experiments for microgravity research on complex fluids, flew on board the Space Shuttle's Microgravity Science Laboratory (MSL-1) in 1997. Using colloidal systems of various concentrations of micron-sized plastic spheres in a refractive index-matching fluid as test samples, illuminated by laser light during and after crystallization, investigations were conducted to measure the nucleation and growth rate of colloidal crystals as well as the structure, rheology, and dynamics of the equilibrium crystal. Together, these measurements support an enhanced understanding of the nature of the liquid-to-solid transition. Achievement of the science objectives required an accurate experimental determination of eight fundamental properties for the hard sphere colloidal samples. The instrument design met almost all of the original measurement requirements, but with compromise on the number of samples on which data were taken. The instrument performs 2-D Bragg and low angle scattering from 0.4 deg. to 60 deg., dynamic and single-channel static scattering from 10 deg. to 170 deg., rheology using fiber optics, and white light imaging of the sample. As a result, PHaSE provided a timely microgravity demonstration of critical light scattering measurement techniques and hardware concepts, while generating data already showing promise of interesting new scientific findings in the field of condensed matter physics.

Doherty, Michael P.↗

Anomalies and Local Structure of Liquid Water from Boiling to the Supercooled Regime as Predicted by the Many-Body MB-pol Model

For the past 50 years, researchers have sought molecular models that can accurately reproduce water’s microscopic structure and thermophysical properties across broad ranges of its complex phase diagram. Herein, molecular dynamics simulations with the many-body MB-pol model are performed to monitor the thermodynamic response functions and local structure of liquid water from the boiling point down to deeply supercooled temperatures at ambient pressure. The isothermal compressibility and isobaric heat capacity show maxima near 223 K, in excellent agreement with recent experiments, and the liquid density exhibits a minimum at ~208 K. A local tetrahedral arrangement, where each water molecule accepts and donates two hydrogen bonds, is found to be the most probable hydrogen-bonding topology at all temperatures. Further, this work suggests that MB-pol may provide predictive capability for studies of liquid water’s physical properties across broad ranges of thermodynamic states, including the so-called water’s “no man’s land” which is difficult to probe experimentally.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Zero-point motion of liquid and solid hydrogen

We present an inelastic neutron scattering study of liquid and solid hydrogen carried out using the wide Angular Range Chopper Spectrometer at Oak Ridge National Laboratory. From the observed dynamic structure factor, we obtained empirical estimates of the molecular mean-squared displacement and average translational kinetic energy. Here we find that the former quantity increases with temperature, indicating that a combination of thermal and quantum effects is important near the liquid-solid phase transition, contrary to previous measurements. We also find that the kinetic energy drops dramatically on melting of the crystals, a consequence of the large increase in molar volume together with the Heisenberg indeterminacy principle. Our results are compared with quantum Monte Carlo simulations based on different model potentials. In general, there is good agreement between our findings and theoretical predictions based on the Silvera-Goldman and Buck potentials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Spray Combustion Modeling with VOF and Finite-Rate Chemistry

A spray atomization and combustion model is developed based on the volume-of-fluid (VOF) transport equation with finite-rate chemistry model. The gas-liquid interface mass, momentum and energy conservation laws are modeled by continuum surface force mechanisms. A new solution method is developed such that the present VOF model can be applied for all-speed range flows. The objectives of the present study are: (1) to develop and verify the fractional volume-of-fluid (VOF) cell partitioning approach into a predictor-corrector algorithm to deal with multiphase (gas-liquid) free surface flow problems; (2) to implement the developed unified algorithm in a general purpose computational fluid dynamics (CFD) code, Finite Difference Navier-Stokes (FDNS), with droplet dynamics and finite-rate chemistry models; and (3) to demonstrate the effectiveness of the present approach by simulating benchmark problems of jet breakup/spray atomization and combustion. Modeling multiphase fluid flows poses a significant challenge because a required boundary must be applied to a transient, irregular surface that is discontinuous, and the flow regimes considered can range from incompressible to highspeed compressible flows. The flow-process modeling is further complicated by surface tension, interfacial heat and mass transfer, spray formation and turbulence, and their interactions. The major contribution of the present method is to combine the novel feature of the Volume of Fluid (VOF) method and the Eulerian/Lagrangian method into a unified algorithm for efficient noniterative, time-accurate calculations of multiphase free surface flows valid at all speeds. The proposed method reformulated the VOF equation to strongly couple two distinct phases (liquid and gas), and tracks droplets on a Lagrangian frame when spray model is required, using a unified predictor-corrector technique to account for the non-linear linkages through the convective contributions of VOF. The discontinuities within the sharp interface will be modeled as a volume force to avoid stiffness. Formations of droplets, tracking of droplet dynamics and modeling of the droplet breakup/evaporation, are handled through the same unified predictor-corrector procedure. Thus the new algorithm is non-iterative and is flexible for general geometries with arbitrarily complex topology in free surfaces. The FDNS finite-difference Navier-Stokes code is employed as the baseline of the current development. Benchmark test cases of shear coaxial LOX/H2 liquid jet with atomization/combustion and impinging jet test cases are investigated in the present work. Preliminary data comparisons show good qualitative agreement between data and the present analysis. It is indicative from these results that the present method has great potential to become a general engineering design analysis and diagnostics tool for problems involving spray combustion.

Chen, Yen-Sen↗

Characterizing Droplet Formation from Non-Linear Slosh in a Propellant Tank

The Fluid Dynamics Branch (ER42) at the Marshall Space Flight Center (MSFC) was tasked with characterizing the formation and evolution of liquid droplets resulting from nonlinear propellant slosh in a storage tank. Lateral excitation of propellant tanks can produce high amplitude nonlinear slosh waves through large amplitude excitations and or excitation frequencies near a resonance frequency of the tank. The high amplitude slosh waves become breaking waves upon attaining a certain amplitude or encountering a contracting geometry such as the upper dome section of a spherical tank. Inherent perturbations in the thinning regions of breaking waves result in alternating regions of high and low pressure within the fluid. Droplets form once the force from the local pressure differential becomes larger than the force maintaining the fluid interface shape due to surface tension. Droplets released from breaking waves in a pressurized tank may lead to ullage collapse given the appropriate conditions due to the increased liquid surface area and thus heat transfer between the fluids. The goal of this project is to create an engineering model that describes droplet formation as a function of propellant slosh for use in the evaluation of ullage collapse during a sloshing event. The Volume of Fluid (VOF) model in the production level Computational Fluid Dynamics (CFD) code Loci-Stream was used to predict droplet formation from breaking waves with realistic surface tension characteristics. Various excitation frequencies and amplitudes were investigated at multiple fill levels for a single storage tank to create the engineering model of droplet formation from lateral propellant slosh.

Brodnick, Jacob↗

Providing Thermal Stability for an Exascale Supercomputer: A Case Study of Frontier's Cooling System

High performance computing (HPC) systems frequently produce large dynamic power swings, even under typical operating conditions, that can present a significant challenge for their direct-liquid cooling systems. Further, the primary cooling loops that must remove this waste heat have response times measured in minutes while the underlying HPC component thermal stress is measured in seconds. The per-socket power demand for both compute processing units (CPUs) and graphic processing units ( GPUs) continues to increase with each successive generation while case temperatures are declining. New HPC systems are expected to exacerbate the challenge of these dynamic power swings and the impact on effective and timely cooling systems. This paper describes the cooling and controls system for Oak Ridge National Laboratory’s Frontier Supercomputer, the first sustained exascale system, as a case study for this situation. The cooling and control system for Frontier demonstrates specific success, but with a number of trade-offs and decisions that suggest further design and operating optimizations for the community at large to consider.

42 ENGINEERING↗

Ab initio Molecular Dynamics Assessment of Thermodynamic and Transport Properties in (K,Li)Cl and (K, Na)Cl Molten Salt Mixtures

Molten salt mixtures are integral part of highly important technological applications such as nuclear reactors. However, due to inherent difficulties associated with experiment at high temperatures and the intrinsic complexity of liquid-phase multi-component systems, understanding their properties at a molecular level remains a challenge. Here, we report on an ab initio molecular dynamics investigation on structural, electronic, transport, and thermal properties of two common molten salt mixtures, (K, Li)Cl and (K,Na)Cl, at five different compositions and three temperatures. Most of the properties were found to depend on both composition and temperature. While properties, like atomic charges, show additive behaviors, other properties, such as electrical conductivity, show considerable deviations from additivity. We shall show that the mixing of the molten salt mixtures is mainly driven by entropy, and that the KCl and LiCl mix better than KCl and NaCl. Our computational results are in general consistent with available experimental data. Comparison with available theoretical data is also provided.

Nguyen, Manh Thuong↗

Gravity Probe-B Spacecraft attitude control based on the dynamics of slosh wave-induced fluid stress distribution on rotating dewar container of cryogenic propellant

The dynamical behavior of fluids, in particular the effect of surface tension on partially-filled rotating fluids, in a full-scale Gravity Probe-B Spacecraft propellant dewar tank imposed by various frequencies of gravity jitters have been investigated. Results show that fluid stress distribution exerted on the outer and inner walls of rotating dewar are closely related to the characteristics of slosh waves excited on the liquid-vapor interface in the rotating dewar tank. This can provide a set of tool for the spacecraft dynamic control leading toward the control of spacecraft unbalance caused by the uneven fluid stress distribution due to slosh wave excitations.

Hung, R. J.↗

Experimental, Numerical and Analytical Characterization of Slosh Dynamics Applied to In-Space Propellant Storage, Management and Transfer

Experimental and numerical results are presented from a new cryogenic fluid slosh program at the Florida Institute of Technology (FIT). Water and cryogenic liquid nitrogen are used in various ground-based tests with an approximately 30 cm diameter spherical tank to characterize damping, slosh mode frequencies, and slosh forces. The experimental results are compared to a computational fluid dynamics (CFD) model for validation. An analytical model is constructed from prior work for comparison. Good agreement is seen between experimental, numerical, and analytical results.

slosh↗

Experimental, Numerical and Analytical Characterization of Slosh Dynamics Applied to In-Space Propellant Storage, Management and Transfer

Experimental and numerical results are presented from a new cryogenic fluid slosh program at the Florida Institute of Technology (FIT). Water and cryogenic liquid nitrogen are used in various ground-based tests with an approximately 30 cm diameter spherical tank to characterize damping, slosh mode frequencies, and slosh forces. The experimental results are compared to a computational fluid dynamics (CFD) model for validation. An analytical model is constructed from prior work for comparison. Good agreement is seen between experimental, numerical, and analytical results.

slosh mode frequencies↗

Propellant Slosh Analysis for the Solar Dynamics Observatory

The Solar Dynamics Observatory (SDO) mission, part of the Living With a Star program, is a geosynchronous satellite with tight pointing requirements. Due to a large amount of liquid propellant, a detailed slosh analysis is required to ensure the tight pointing budget can be satisfied. Much of the high fidelity slosh analysis and simulation has been performed via computational fluid dynamics. Even though this method of simulation is very accurate, it requires significant computational effort and specialized knowledge, limiting the ability of the SDO project to access fluid dynamics simulations at will. Furthermore, it is very difficult to incorporate most of these models into simulations of the overall spacecraft and its environment. Ultimately, the effects of the propellant slosh on the attitude stability and pointing performance of the entire spacecraft are of great interest to attitude control engineers. Equivalent mechanical models, such as models that approximate the fluid slosh effects by analogy to the movements of a point-mass pendulum, are important tools in simulating propellant slosh dynamics as part of the entire attitude determination and control system. This paper describes some of the current methods used to analyze and model slosh. It focuses on equivalent mechanical models and their incorporation into control-based analysis tools such as Simulink. The SDO mission is used as the case study for this work.

Mason, Paul A. C.↗

Experimental Investigation of Mercury's Magma Ocean Viscosity: Implications for the Formation of Mercury's Cumulate Mantle, Its Subsequent Dynamic Evolution, and Crustal Petrogenesis

Mercury has a compositionally heterogeneous surface that was produced by different periods of igneous activity during Mercury’s history, perhaps suggesting heterogeneous mantle sources. Furthermore, understanding the structure of Mercury’s mantle formed during the planet’s magma ocean stage could help in developing a petrologic model for Mercury, and thus, its dynamic history in the context of crustal petrogenesis. We present results of falling sphere viscometry experiments on late stage Mercurian magma ocean analogue compositions. Owing to the presence of sulfur on the surface of Mercury, two compositions were tested, one with sulfur and one without. The liquids have viscosities of 0.6-3.9 (sulfur-bearing) and 0.6-10.9 Pa·s (sulfur-free), similar to an andesite at the tested experimental conditions (1.4-6.2 GPa, 1600-2000°C). We present new viscosity models that enable extrapolation beyond the experimental conditions and evaluate grain growth and the potential for crystal entrainment in a cooling, convecting magma ocean. We consider scenarios with and without a graphite flotation crust, which suggests two possible endmember outcomes for Mercury’s mantle structure. With a graphite flotation crust, crystallization of the mantle would be fractional with negatively buoyant minerals sinking to form a stratified cumulate pile according to the crystallization sequence. Without a flotation crust, crystals would largely remain entrained in the convecting liquid during solidification, producing a homogeneous mantle. In the context of these endmember models, the chemically heterogeneous surface could result from dynamical stirring or mixing of a mantle that was initially compositionally stratified, or from different extents of melting of a homogeneous mantle.

58 GEOSCIENCES↗

Unraveling Anisotropic and Pulsating Etching of ZnO Nanorods in Hydrochloric Acid via Correlative Electron Microscopy

Despite much technical progress achieved so far, the exact surface and shape evolution during wet chemical etching is less unraveled, especially in ionically bonded ceramics. Herein, by using in situ liquid cell transmission electron microscopy, a repeated two-stage anisotropic and pulsating periodic etching dynamic is discovered during the pencil shape evolution of a single crystal ZnO nanorod in aqueous hydrochloric acid. Specifically, the nanopencil tip shrinks at a slower rate along [0001̅] than that along the $\langle$101̅0$\rangle$ directions, resulting in a sharper ZnO pencil tip. Afterward, rapid tip dissolution happens due to accelerated etching rates along various crystal directions. Concurrently, the vicinal base region of the original nanopencil tip emerges as a new tip followed by the repeated sequence of tip shrinking and removal. The high-index surfaces, such as {101̅m} (m = 0, 1, 2, or 3) and {21̅1̅n} (n = 0, 1, 2, or 3), are found to preferentially expose in different ratios. Our 3D electron tomography, convergent beam electron diffraction, middle-angle bright-field STEM, and XPS results indicate the dissociative Cl – species were bound to the Zn-terminated tip surfaces. Furthermore, DFT calculation suggests the preferential Cl – passivation over the {101̅1} and (0001) surfaces of lower energy than others, leading to preferential surface exposures and the oscillatory variation of different facet etching rates. The boosted reactivity due to high-index nanoscale surface exposures is confirmed by comparatively enhanced chemical sensing and CO 2 hydrogenation activity. In conclusion, these findings provide an in-depth understanding of anisotropic wet chemical etching of ionic nanocrystals and offer a design strategy for advanced functional materials.

36 MATERIALS SCIENCE↗