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NASA NTRS2024

Low-Speed Space Launch System Computational Fluid Dynamics: A Comprehensive Overview

In this review paper, low-speed computational work from NASA Langley in support of the Space Launch System (SLS) is discussed. This information includes both historic and present efforts with the Kestrel CFD solver. The low-speed aerodynamics of SLS is highly complex and analysis of the unsteady flowfield requires significant computational efforts. The SLS mission profile varies from the vehicle static on the launch pad through high-speed ascent, and this paper focuses on the prelaunch as well as liftoff and transition portions of the flight both in proximity to the launch tower and in isolation. High-alpha conditions, as large as 90 deg, result in a flowfield dominated by massive, large-scale flow separation and asymmetric vortices. High-fidelity solutions require an unsteady computational formulation to accurately capture the aerodynamics of the vehicle. A detailed discussion of the computational approach is presented, followed by key efforts to support the program, both historic and present, including information which has been either previously published or that has never before published external to NASA.

Brent Pomeroy↗

DOE OSTI2017

The clumped-isotope geochemistry of exhumed marbles from Naxos, Greece

Exhumation and accompanying retrograde metamorphism alter the compositions and textures of metamorphic rocks through deformation, mineral–mineral reactions, water–rock reactions, and diffusion-controlled intra- and inter-mineral atomic mobility. Here, we demonstrate that these processes are recorded in the clumped- and single-isotope (δ 13 C and δ 18 O) compositions of marbles, which can be used to constrain retrograde metamorphic histories. We collected 27 calcite and dolomite marbles along a transect from the rim to the center of the metamorphic core-complex of Naxos (Greece), and analyzed their carbonate single- and clumped-isotope compositions. The majority of Δ 47 values of whole-rock samples are consistent with exhumation- controlled cooling of the metamorphic complex. However, the data also reveal that water–rock interaction, deformation driven recrystallization and thermal shock associated with hydrothermal alteration may considerably impact the overall distribution of Δ 47 values. We analyzed specific carbonate fabrics influenced by deformation and fluid–rock reaction to study how these processes register in the carbonate clumped-isotope system. Δ 47 values of domains drilled from a calcite marble show a bimodal distribution. Low Δ 47 values correspond to an apparent temperature of 260 °C and are common in static fabrics; high Δ 47 values correspond to an apparent temperature of 200 °C and are common in dynamically recrystallized fabrics. We suggest that the low Δ 47 values reflect diffusion-controlled isotopic reordering during cooling, whereas high Δ 47 values reflect isotopic reordering driven by dynamic recrystallization. We further studied the mechanism by which dynamic recrystallization may alter Δ 47 values by controlled heating experiments. Results show no significant difference between laboratory reactions rates in the static and dynamic fabrics, consistent with a mineral-extrinsic mechanism, in which slip along crystal planes was associated with atomic-scale isotopic reordering in the calcite lattice. An intrinsic mechanism (enhanced isotopic reordering rate in deformed minerals) is contraindicated by these experiments. We suggest that Δ 47 values of dynamically recrystallized fabrics that form below the diffusion-controlled blocking-temperature for calcite constrain the temperature of deformation. We find that Δ 47 -based temperatures of static fabrics from Naxos marbles are ~60–80 °C higher than commonly observed in slowly cooled metamorphic rocks, and would suggest cooling rates of ~10 5 °CMyr -1 . A similar thermal history is inferred for dolomite marbles from the core vicinity, which preserve apparent temperatures up to 200 °C higher than a typical blocking temperature (~300 °C). This finding could be explained by a hydrothermal event driving a brief thermal pulse and locally resetting Δ 47 values. Rapid cooling of the core-complex region is consistent with a compilation of published cooling ages and a new apatite U–Th/He age, associating the thermal event with the emplacement of a granodiorite pluton at ~12 Ma.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Turbulence theories and statistical closure approaches

When discussing research in physics and in science more generally, it is common to ascribe equal importance to the three components of the scientific trinity: theoretical, experimental, and computational studies. This review will explore the future of modern turbulence theory by tracing its history, which began in earnest with Kolmogorov’s 1941 analysis of turbulence cascade and inertial range [A.N. Kolmogorov, Dokl. Akad. Nauk SSSR, 30, 299, (1941); 32, 19, (1941)]. The 80th Anniversary of Kolmogorov’s landmark study is a welcome opportunity to survey the achievements and evaluate the future of the theoretical approach of turbulence research. Over the years, turbulence theories have been critically important in laying the foundation of our understanding of the nature of turbulent flows. In particular, the Direct Interaction Approximation (DIA) [R.H. Kraichnan, J. Fluid Mech., 5, 497 (1959)] and its subsequent development, known as the statistical closure approach, can be identified as perhaps the most profound single advancement. The remarkable success of the statistical closure has furnished a platform to study such essential concepts as the energy transfer process and interacting scales, and the roles of the straining and sweeping motions. More recently, the quasi-Lagrangian formulation of V. L’vov & I. Procaccia and Kraichnan’s solvable passive scalar model provided powerful ways to explore another fundamental aspect of turbulent flows, the phenomena of intermittency, and the associated anomalous scaling exponents. In the meantime, the theory of fluid equilibria has been developed to describe the large-scale structures that can emerge from turbulent cascades of two-dimensional and geophysical flows at a later time. And yet, despite all these successes, analytical treatments suffer from mathematical complexities. As a result, the utility of theoretical approaches has been limited to relatively idealized flows. On the other hand, in recent decades, computational abilities and experimental facilities have reached an unprecedented scale. Looking beyond the horizon, the imminent deployment of exascale supercomputers will generate complete datasets of the entire flow field of key benchmark flows, allowing researchers to extract additional measurements concerning fully developed, complex turbulent flow fields far beyond those available from the statistical closure theories. Some other developments that could potentially influence the future course of turbulence theories include the advancement of machine learning, artificial intelligence, and data science; likely disruptions arising from the advent of quantum computation; and the increasingly prominent role of turbulence research in providing more accurate climate scientific data. Finally, turbulence theorists can leverage these developments by asking the right questions and developing advanced, sophisticated frameworks that will be able to predict and correlate vast amounts of data from the other two components of the trinity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

A weighted state redistribution algorithm for embedded boundary grids

State redistribution is an algorithm that stabilizes cut cells for embedded boundary grid methods. This work extends the earlier algorithm in several important ways. First, state redistribution is extended to three spatial dimensions. Second, we discuss several algorithmic changes and improvements motivated by the more complicated cut cell geometries that can occur in higher dimensions. In particular, we introduce a weighted version with less dissipation in an easily generalizable framework. Third, we demonstrate that state redistribution can also stabilize a solution update that includes both advective and diffusive contributions. Notably, the stabilization algorithm is shown to be effective for incompressible as well as compressible reacting flows. Finally, we discuss the implementation of the algorithm for several exascale-ready simulation codes based on AMReX, demonstrating ease of use in combination with domain decomposition, hybrid parallelism and complex physics.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2000

Efficient Use of Distributed Systems for Scientific Applications

Distributed computing has been regarded as the future of high performance computing. Nationwide high speed networks such as vBNS are becoming widely available to interconnect high-speed computers, virtual environments, scientific instruments and large data sets. One of the major issues to be addressed with distributed systems is the development of computational tools that facilitate the efficient execution of parallel applications on such systems. These tools must exploit the heterogeneous resources (networks and compute nodes) in distributed systems. This paper presents a tool, called PART, which addresses this issue for mesh partitioning. PART takes advantage of the following heterogeneous system features: (1) processor speed; (2) number of processors; (3) local network performance; and (4) wide area network performance. Further, different finite element applications under consideration may have different computational complexities, different communication patterns, and different element types, which also must be taken into consideration when partitioning. PART uses parallel simulated annealing to partition the domain, taking into consideration network and processor heterogeneity. The results of using PART for an explicit finite element application executing on two IBM SPs (located at Argonne National Laboratory and the San Diego Supercomputer Center) indicate an increase in efficiency by up to 36% as compared to METIS, a widely used mesh partitioning tool. The input to METIS was modified to take into consideration heterogeneous processor performance; METIS does not take into consideration heterogeneous networks. The execution times for these applications were reduced by up to 30% as compared to METIS. These results are given in Figure 1 for four irregular meshes with number of elements ranging from 30,269 elements for the Barth5 mesh to 11,451 elements for the Barth4 mesh. Future work with PART entails using the tool with an integrated application requiring distributed systems. In particular this application, illustrated in the document entails an integration of finite element and fluid dynamic simulations to address the cooling of turbine blades of a gas turbine engine design. It is not uncommon to encounter high-temperature, film-cooled turbine airfoils with 1,000,000s of degrees of freedom. This results because of the complexity of the various components of the airfoils, requiring fine-grain meshing for accuracy. Additional information is contained in the original.

Taylor, Valerie↗

DOE OSTI2016

Stabilized FE simulation of prototype thermal-hydraulics problems with integrated adjoint-based capabilities

A critical aspect of applying modern computational solution methods to complex multiphysics systems of relevance to nuclear reactor modeling, is the assessment of the predictive capability of specific proposed mathematical models. In this respect the understanding of numerical error, the sensitivity of the solution to parameters associated with input data, boundary condition uncertainty, and mathematical models is critical. Additionally, the ability to evaluate and or approximate the model efficiently, to allow development of a reasonable level of statistical diagnostics of the mathematical model and the physical system, is of central importance. In this study we report on initial efforts to apply integrated adjoint-based computational analysis and automatic differentiation tools to begin to address these issues. The study is carried out in the context of a Reynolds averaged Navier–Stokes approximation to turbulent fluid flow and heat transfer using a particular spatial discretization based on implicit fully-coupled stabilized FE methods. Initial results are presented that show the promise of these computational techniques in the context of nuclear reactor relevant prototype thermal-hydraulics problems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2013

Diet-induced obesity reprograms the inflammatory response of the murine lung to inhaled endotoxin

The co-occurrence of environmental factors is common in complex human diseases and, as such, understanding the molecular responses involved is essential to determine risk and susceptibility to disease. We have investigated the key biological pathways that define susceptibility for pulmonary infection during obesity in diet-induced obese (DIO) and regular weight (RW) C57BL/6 mice exposed to inhaled lipopolysaccharide (LPS). LPS induced a strong inflammatory response in all mice as indicated by elevated cell counts of macrophages and neutrophils and levels of proinflammatory cytokines (MDC, MIP-1γ, IL-12, RANTES) in the bronchoalveolar lavage fluid. Additionally, DIO mice exhibited 50% greater macrophage cell counts, but decreased levels of the cytokines, IL-6, TARC, TNF-α, and VEGF relative to RW mice. Microarray analysis of lung tissue showed over half of the LPS-induced expression in DIO mice consisted of genes unique for obese mice, suggesting that obesity reprograms how the lung responds to subsequent insult. In particular, we found that obese animals exposed to LPS have gene signatures showing increased inflammatory and oxidative stress response and decreased antioxidant capacity compared with RW. Because signaling pathways for these responses can be common to various sources of environmentally induced lung damage, we further identified biomarkers that are indicative of specific toxicant exposure by comparing gene signatures after LPS exposure to those from a parallel study with cigarette smoke. These data show obesity may increase sensitivity to further insult and that co-occurrence of environmental stressors result in complex biosignatures that are not predicted from analysis of individual exposures. - Highlights: ► Obesity modulates inflammatory markers in BAL fluid after LPS exposure. ► Obese animals have a unique transcriptional signature in lung after LPS exposure. ► Obesity elevates inflammatory stress and reduces antioxidant capacity in the lung. ► Toxicant-specific biomarkers predict exposure independent of systemic inflammation.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2013

Driving self-assembly and emergent dynamics in colloidal suspensions by time-dependent magnetic fields

In this review we discuss recent research on driving self assembly of magnetic particle suspensions subjected to alternating magnetic fields. The variety of structures and effects that can be induced in such systems is remarkably broad due to the large number of variables involved. The alternating field can be uniaxial, biaxial or triaxial, the particles can be spherical or anisometric, and the suspension can be dispersed throughout a volume or confined to a soft interface. In the simplest case the field drives the static or quasi-static assembly of unusual particle structures, such as sheets, networks and open-cell foams. More complex, emergent collective behaviors evolve in systems that can follow the time-dependent field vector. In these cases energy is continuously injected into the system and striking °ow patterns and structures can arise. In fluid volumes these include the formation of advection and vortex lattices. At air-liquid and liquid-liquid interfaces striking dynamic particle assemblies emerge due to the particle-mediated coupling of the applied field to surface excitations. These out-of-equilibrium interface assemblies exhibit a number of remarkable phenomena, including self-propulsion and surface mixing. In addition to discussing various methods of driven self assembly in magnetic suspensions, some of the remarkable properties of these novel materials are described.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Mechanically active materials in three-dimensional mesostructures

Complex, three-dimensional (3D) mesostructures that incorporate advanced, mechanically active materials are of broad, growing interest for their potential use in many emerging systems. The technology implications range from precision-sensing microelectromechanical systems, to tissue scaffolds that exploit the principles of mechanobiology, to mechanical energy harvesters that support broad bandwidth operation. The work presented here introduces strategies in guided assembly and heterogeneous materials integration as routes to complex, 3D microscale mechanical frameworks that incorporate multiple, independently addressable piezoelectric thin-film actuators for vibratory excitation and precise control. The approach combines transfer printing as a scheme for materials integration with structural buckling as a means for 2D-to-3D geometric transformation, for designs that range from simple, symmetric layouts to complex, hierarchical configurations, on planar or curvilinear surfaces. Systematic experimental and computational studies reveal the underlying characteristics and capabilities, including selective excitation of targeted vibrational modes for simultaneous measurements of viscosity and density of surrounding fluids. The results serve as the foundations for unusual classes of mechanically active 3D mesostructures with unique functions relevant to biosensing, mechanobiology, energy harvesting, and others.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Time scales for advection and (de)leptonization in a collapsar [Slides]

Characteristic time scales of leptonization (τ + ), deleptonization (τ – ), and fluid motion (τ a ) in a disk of hot gas accreting on to a black hole formed after a failed supernova. These time scales are set by neutrino emission, absorption, and magnetohydrodynamic turbulence, highlighting the complex interplay between the four forces of nature in these enigmatic systems.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Lagrangian simulations of spray interaction with a surface using a stochastic multi-regime impingement model

Modeling of spray impingement upon the piston or cylinder surface is important for hydrocarbon emission and soot predictions in high-fidelity simulation of internal combustion engines with direct injections. Due to the complexity of the physical process of spray impingement, current computational models heavily rely on the empirical studies which involve large uncertainties. A computational model is presented for spray impingement on solid walls in general computational fluid dynamics (CFD) simulations. The model adopts the Marmanis-Thoroddsen theory for determining the number of secondary droplets and a stochastic method for calculating the velocities of the secondary droplets. The numerical methods and parallel implementation of the impingement model are presented in detail. The model is implemented in Grit, which is a recently developed CPU/GPU performance-portable Lagrangian particle library, for accelerating spray simulations. The model and its implementation are tested for examples of spray impingements on flat and smooth surfaces with different impingement angles.

Ge, Wenjun↗

DOE OSTI2018

Numerical Methodology for Optimization of Compression-Ignited Engines Considering Combustion Noise Control

It is challenging to develop highly efficient and clean engines while meeting user expectations in terms of performance, comfort, and drivability. One of the critical aspects in this regard is combustion noise control. Combustion noise accounts for about 40 percent of the overall engine noise in typical turbocharged diesel engines. The experimental investigation of noise generation is difficult due to its inherent complexity and measurement limitations. Therefore, it is important to develop efficient numerical strategies in order to gain a better understanding of the combustion noise mechanisms. In this work, a novel methodology was developed, combining computational fluid dynamics (CFD) modeling and genetic algorithm (GA) technique to optimize the combustion system hardware design of a high-speed direct injection (HSDI) diesel engine, with respect to various emissions and performance targets including combustion noise. The CFD model was specifically set up to reproduce the unsteady pressure field inside the combustion chamber, thereby allowing an accurate prediction of the acoustic response of the combustion phenomena. The model was validated by simulating several steady operating conditions and comparing the numerical results against experimental data, in both temporal and frequency domains. Thereafter, a GA optimization was performed with the goal of minimizing indicated specific fuel consumption (ISFC) and combustion noise, while restricting pollutant (soot and NOx) emissions to their respective baseline values. Eight design variables were selected pertaining to piston bowl geometry, nozzle inclusion angle, number of injector nozzle holes, and in-cylinder swirl. An objective merit function (MF) based on the emissions, ISFC, and combustion noise was constructed to quantify the strength of the engine designs and was determined using the CFD model as the function evaluator. The in-cylinder noise level was characterized by the total resonance energy of local pressure oscillations. The optimum engine configuration thus obtained showed a significant improvement in terms of efficiency and combustion noise compared to the baseline system, along with both soot and NOx emissions within their respective constraints. This optimum configuration included a deeper and tighter bowl geometry with higher swirl and larger number of nozzle holes. Subsequently, a more detailed acoustics analysis based on proper orthogonal decomposition (POD) technique was carried out to further explore the combustion noise benefits achieved by the GA optimum. In conclusion, this computational study is a first of its kind (to the best of the authors’ knowledge), which demonstrates a comprehensive framework to incorporate combustion noise into a numerical optimization strategy for engine design.

42 ENGINEERING↗

NASA NTRS1978

Multipurpose miniature drag-force anemometer

Simple, rugged, accurate probe measures steady-state and dynamic flow angle, and turbulence intensity in flowing fluids at subsonic velocity. Probe is simpler in design and calibration, and more durable, than hot-wire and hot-film anemometers and is not affected by flow contamination. It is less expensive and complex than laser anemometers. Associated electronics are as simple as those of strain-gage pressure transducers.

Fralick, G. C.↗

NASA NTRS1987

Water facilities in retrospect and prospect: An illuminating tool for vehicle design

Water facilities play a fundamental role in the design of air, ground, and marine vehicles by providing a qualitative, and sometimes quantitative, description of complex flow phenomena. Water tunnels, channels, and tow tanks used as flow-diagnostic tools have experienced a renaissance in recent years in response to the increased complexity of designs suitable for advanced technology vehicles. These vehicles are frequently characterized by large regions of steady and unsteady 3-D flow separation and ensuing vortical flows. The visualization and interpretation of the complicated fluid motions about isolated vehicle components and complete configurations in a time and cost effective manner in hydrodynamic test facilities is a key element in the development of flow control concepts, and, hence, improved vehicle designs. A historical perspective of the role of water facilities in the vehicle design process is presented. The application of water facilities to specific aerodynamic and hydrodynamic flow problems is discussed, and the strengths and limitations of these important experimental tools are emphasized.

Erickson, Gary E.↗

NASA NTRS1991

RIPPLE - A new model for incompressible flows with free surfaces

A new free surface flow model, RIPPLE, is summarized. RIPPLE obtains finite difference solutions for incompressible flow problems having strong surface tension forces at free surfaces of arbitrarily complex topology. The key innovation is the continuum surface force model which represents surface tension as a (strongly) localized volume force. Other features include a higher-order momentum advection model, a volume-of-fluid free surface treatment, and an efficient two-step projection solution method. RIPPLE's unique capabilities are illustrated with two example problems: low-gravity jet-induced tank flow, and the collision and coalescence of two cylindrical rods.

Kothe, D. B.↗

NASA NTRS1995

Fluidic Control of Nozzle Flow: Some Performance Measurements

Results are presented of an experimental program that investigated the use of a secondary air stream to control the amount of flow through a convergent-divergent nozzle. These static tests utilized high pressure, ambient temperature air that was injected at the throat of the nozzle through an annular slot. Multiple injection slot sizes and injection angles were tested. The introduction of secondary flow was made in an opposing direction to the primary flow and the resulting flow field caused the primary stream to react as though the physical throat size had been reduced. The percentage reduction in primary flow rate was generally about twice the injected flow rate. The most effective throttling was achieved by injecting through the smallest slot in an orientation most nearly opposed to the approaching primary flow. Thrust edliciency, as measured by changes in nozzle thrust coefficient, was highest at high nozzle pressure ratios, NPR. The static test results agreed with predictions obtained prior from PABSD, a fully viscous computational fluid dynamics program. Since use of such an injection system on gas turbine engine exhaust nozzles would be primarily at high NPRs, it was concluded that fluidic control holds promise for reducing nozzle weight and complexity on future systems.

Federspiel, John↗

NASA NTRS2014

Designing Liquid Rocket Engine Injectors for Performance, Stability, and Cost

NASA is developing the Space Launch System (SLS) for crewed exploration missions beyond low Earth orbit. Marshall Space Flight Center (MSFC) is designing rocket engines for the SLS Advanced Booster (AB) concepts being developed to replace the Shuttle-derived solid rocket boosters. One AB concept uses large, Rocket-Propellant (RP)-fueled engines that pose significant design challenges. The injectors for these engines require high performance and stable operation while still meeting aggressive cost reduction goals for access to space. Historically, combustion stability problems have been a critical issue for such injector designs. Traditional, empirical injector design tools and methodologies, however, lack the ability to reliably predict complex injector dynamics that often lead to combustion stability. Reliance on these tools alone would likely result in an unaffordable test-fail-fix cycle for injector development. Recently at MSFC, a massively parallel computational fluid dynamics (CFD) program was successfully applied in the SLS AB injector design process. High-fidelity reacting flow simulations were conducted for both single-element and seven-element representations of the full-scale injector. Data from the CFD simulations was then used to significantly augment and improve the empirical design tools, resulting in a high-performance, stable injector design.

Westra, Douglas G.↗

NASA NTRS2018

Thermal Modeling and Correlation of the Space Environments Complex Vacuum Chamber and Cryoshroud

A thermal model of the Space Environments Complex (SEC) vacuum chamber and cryoshroud has been developed in support of upcoming thermal vacuum/thermal balance testing for Orion EM-1. The model was developed in Thermal Desktop and includes the vacuum chamber itself, a fluid model of the gaseous nitrogen flowing through the cryoshroud and the chamber piping, the Heat Flux System (HFS) within the cryoshroud, and the mechanical ground support equipment (MGSE) that interfaces with the vehicle. It has been correlated with steady state data from three tests. Two tests ran the cryoshroud in hot mode at 170 °F, and one test ran the cryoshroud in cold mode at -263 °F. Correlation was done using an optimization algorithm to find values of unknown contact conductances that minimized the RMS error between the model predictions and the test data. Overall, model quality was very good with a total RMS error of 2.6 °F.

Stalcup, Erik J.↗