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DOE OSTI2019

Methodology for Irradiation Creep Testing of SiC / SiC Composite Cladding

Irradiation creep compliance is a critical parameter for evaluating the stress evolution of silicon carbide (SiC) components during operation in various reactor concepts. Recent instrumented irradiation creep testing of SiC, performed at low dose in the Halden reactor, showed a creep compliance that is orders of magnitude higher than previous un-instrumented bend relaxation experiments performed in the High Flux Isotope Reactor (HFIR). This discrepancy illustrates the need for additional irradiation creep data for SiC. To this end, a novel irradiation capsule design has been developed to test miniature SiC tensile specimens under loading during irradiation in the HFIR. The experiment design uses the coolant pressure of the HFIR to compress a bellows, which applies the loading on the specimen. Preliminary thermal finite element models were developed to estimate the temperature distribution within the specimen and surrounding capsule components. Similar structural models were developed to evaluate the stress distribution within the specimen. The thermal analyses show that within the gauge section, the specimen temperatures remain within ~10°C of the nominal 300°C design temperature. Similarly, the structural analysis predicts axial stresses within ~10 MPa of the target stress of 100 MPa. These initial analyses show that irradiation creep testing of SiC in the HFIR is feasible and could provide a low-cost, high-throughput vehicle for gathering needed irradiation creep data.

36 MATERIALS SCIENCE↗

NASA NTRS2023

CME Propagation Through the Heliosphere: Status and Future of Observations and Model Development

The ISWAT (International Space Weather Action Teams) heliosphere clusters H1 and H2 have a focus on interplanetary space and its characteristics, especially on the large-scale co-rotating and transient structures impacting Earth. Solar wind stream interaction regions, generated by the interaction between high-speed solar wind originating in large-scale open coronal magnetic fields and slower solar wind from closed magnetic fields, are regions of compressed plasma and magnetic field followed by high-speed streams that recur at the ~27 day solar rotation period. Short-term reconfigurations of the lower coronal magnetic field generate flare emissions and provide the energy to accelerate enormous amounts of magnetised plasma and particles in the form of coronal mass ejections into interplanetary space. The dynamic interplay between these phenomena changes the configuration of interplanetary space on various temporal and spatial scales which in turn influences the propagation of individual structures. While considerable efforts have been made to model the solar wind, we outline the limitations arising from the rather large uncertainties in parameters inferred from observations that make reliable predictions of the structures impacting Earth difficult. Moreover, the increased complexity of interplanetary space as solar activity rises in cycle 25 is likely to pose a challenge to these models. Combining observational and modeling expertise will extend our knowledge of the relationship between these different phenomena and the underlying physical processes, leading to improved models and scientific understanding and more-reliable space-weather forecasting. The current paper summarizes the efforts and progress achieved in recent years, identifies open questions, and gives an outlook for the next 5–10 years. It acts as basis for updating the existing COSPAR roadmap by Schrijver et al. (2015), as well as providing a useful and practical guide for peer-users and the next generation of space weather scientists.

Space weather↗

DOE OSTI2020

Calculation of the detonation state of HN 3 with quantum accuracy

HN 3 is a unique liquid energetic material that exhibits ultrafast detonation chemistry and a transition to metallic states during detonation. We combine the Chebyshev interaction model for efficient simulation (ChIMES) many-body reactive force field and the extended-Lagrangian multiscale shock technique molecular dynamics method to calculate the detonation properties of HN 3 with the accuracy of Kohn–Sham density-functional theory. ChIMES is based on a Chebyshev polynomial expansion and can accurately reproduce density-functional theory molecular dynamics (DFT-MD) simulations for a wide range of unreactive and decomposition conditions of liquid HN 3 . We show that addition of random displacement configurations and the energies of gas-phase equilibrium products in the training set allows ChIMES to efficiently explore the complex potential energy surface. Schemes for selecting force field parameters and the inclusion of stress tensor and energy data in the training set are examined. Structural and dynamical properties and chemistry predictions for the resulting models are benchmarked against DFT-MD. We demonstrate that the inclusion of explicit four-body energy terms is necessary to capture the potential energy surface across a wide range of conditions. Our results generally retain the accuracy of DFT-MD while yielding a high degree of computational efficiency, allowing simulations to approach orders of magnitude larger time and spatial scales. The techniques and recipes for MD model creation we present allow for direct simulation of nanosecond shock compression experiments and calculation of the detonation properties of materials with the accuracy of Kohn–Sham density-functional theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Utah FORGE: Pump and Probe Test on an Intact Westerly Granite Sample

This dataset contains results from a pump and probe experiment conducted on an intact Westerly Granite sample with a diameter of 1 inch and a height of 1 3/8 inches. The experiment was performed within an aluminum triaxial pressure vessel (TEMCO) to investigate the non-linear acoustic parameters of the sample under varying axial pressures. The confining pressure was maintained at 4 MPa, while the axial pressure was incrementally increased from 1 MPa to 17 MPa before being reduced back to 1 MPa. 5 dynamic pressure oscillations of 0.5 MPa were applied over a 10 minute interval. The dataset includes pump controller data, linear variable differential transformer (LVDT) measurements, and acoustic data. The pump controller data tracks the confining and axial pressures, flow rates, and pump volumes. LVDT measurements provide detailed records of the axial displacement of the cell piston. Additionally, acoustic data captured by s-wave transducers is archived in a compressed file.

15 GEOTHERMAL ENERGY↗

NASA NTRS1955

An Investigation of the Effects of Nose and Lip Shapes for an Underslung Scoop Inlet at Mach Numbers from 0 to 1.9

An experimental investigation was conducted to determine the performance characteristics an underslung nose-scoop air-induction system for a supersonic airplane. Five different nose shapes, three lip shapes, and two internal diffusers were investigated. Tests were made at Mach numbers from 0 to 1.9, angles of attack from 0 deg to approximately l5 deg, and mass-flow ratios from 0 to maximum obtainable. It was found that the underslung nose-scoop inlet was able to operate at Mach numbers from 0.6 to 1.9 over a large positive angle-of-attack range without adverse effects on the pressure recovery. Although there was no one inlet configuration that was markedly superior over the entire range of operating variables, the arrangement having a nose designed to give increased supersonic compression at low angles of attack, and a sharp lip (configuration designated N3L3) showed the most favorable performance characteristics over the supersonic Mach number range. Inlets with sizable lip radii gave satisfactory performance up to a Mach number of 1.5; however, as a result of an increase in drag, the performance of such inlets was markedly inferior to the sharp-lip configuration above Mach numbers of 1.5. Throughout the range of test Mach numbers all inlet configurations evidenced stable air-flow characteristics over the mass-flow range for normal engine operation. Analysis of the inlet performance on the basis of a propulsive thrust parameter showed that a fixed inlet area could be used for Mach numbers up to 1.5 with only a small sacrifice in performance.

NOSE CONE↗

NASA NTRS1991

Numerical simulations of turbulent thermal convection with differential rotation

The solar nebula, from which the planets in our solar system formed, featured a disk of gas and dust grains in rapid, differential rotation, and at some stage was likely to have been unstable to thermal convection. This situation is suspected by many to lead to significant turbulent Reynolds stress production and angular momentum transport in such systems, and estimates of transport rates have been attempted from unsubstantiated phenomenological models. In order to determine the circumstances and physical conditions under which our own planetary system formed and to explain recent observations of young stellar systems, it is necessary to develop realistic models of heat and angular momentum transport for such flows. Developing an understanding of complicated flows featuring thermal convection, rotation, and shear is also of wide interest in stellar astrophysics and in planetary and terrestrial atmospheric studies. The ultimate objective is to develop workable models based on the numerical simulations for constructing global solar nebula models; viz., relatively simple prescriptions for heat and angular momentum fluxes from given system parameters (e.g., ratios of rotation, shear, and convective lapse rates) are characterized, quantified, and developed. Toward this end, our program has been to attempt to understand the behavior of the direct numerical simulations of Boussinesq convection, which, despite the complexity of the results, is still an overly simplified approximation to the real system and should be more amenable to analysis. These results are also intended to be tested against turbulence models, especially those designed for atmospheric boundary layers, and may provide a basis for subgrid-scale models. In order to make the numerical simulations more realistic with regard to the solar nebula problem, a fully compressible code that will allow incorporation of large density stratifications and realistic thermodynamic and radiative properties is developed. In order to explore the properties of these flows at the very high values of Re found in natural systems and the very low values of Pr found in most astrophysical contexts, we will need to employ large-eddy simulations for which we want to determine the most appropriate subgrid-scale model to incorporate.

Cabot, William H.↗

NASA NTRS1984

Opening of an interface flaw in a layered elastic half-plane under compressive loading

A static analysis is given of the problem of an elastic layer perfectly bonded, except for a frictionless interface crack, to a dissimilar elastic half-plane. The free surface of the layer is loaded by a finite pressure distribution directly over the crack. The problem is formulated using the two dimensional linear elasticity equations. Using Fourier transforms, the governing equations are converted to a pair of coupled singular integral equations. The integral equations are reduced to a set of simultaneous algebraic equations by expanding the unknown functions in a series of Jacobi polynomials and then evaluating the singular Cauchy-type integrals. The resulting equations are found to be ill-conditioned and, consequently, are solved in the least-squares sense. Results from the analysis show that, under a normal pressure distribution on the free surface of the layer and depending on the combination of geometric and material parameters, the ends of the crack can open. The resulting stresses at the crack-tips are singular, implying that crack growth is possible. The extent of the opening and the crack-top stress intensity factors depend on the width of the pressure distribution zone, the layer thickness, and the relative material properties of the layer and half-plane.

Kennedy, J. M.↗

DOE OSTI2024

Effect of Pressure on Crystal Structure and Phonon Density of States of FeSi

The strongly correlated material FeSi displays several unusual thermal, magnetic, and structural properties under varying pressure-temperature (P-T) conditions. It is a potential thermoelectric alloy and a material with several geochemical implications as a possible constituent at the Earth's core-mantle boundary (CMB). Previous theoretical studies predicted a pressure-induced B20-B2 transition at ambient temperature below 40 GPa; however, experimentally, the structural transition is observed only at high P-T conditions. In this study, we have performed high-pressure powder X-ray diffraction (XRD) up to 90 GPa and Nuclear Resonant Inelastic X-ray Scattering (NRIXS) measurements up to 120 GPa to understand the phase stability and lattice dynamics. Our study provides evidence for a non-hydrostatic stress-induced B20-B2 transition in FeSi at around 36 GPa. We deduced the Fe partial phonon density of states (PDOS) and thermal parameters from NRIXS measurements up to 120 GPa and compared them with density functional theory (DFT) calculations. Furthermore, the computations show pressure-induced metallization and the band gap closing around 12 GPa.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Parallel accelerated cyclic reduction preconditioner for three-dimensional elliptic PDEs with variable coefficients

We present a robust and scalable preconditioner for the solution of large-scale linear systems that arise from the discretization of elliptic PDEs amenable to rank compression. The preconditioner is based on hierarchical low-rank approximations and the cyclic reduction method. The setup and application phases of the preconditioner achieve log-linear complexity in memory footprint and number of operations, and numerical experiments exhibit good weak and strong scalability at large processor counts in a distributed memory environment. Numerical experiments with linear systems that feature symmetry and nonsymmetry, definiteness and indefiniteness, constant and variable coefficients demonstrate the preconditioner applicability and robustness. Furthermore, it is possible to control the number of iterations via the accuracy threshold of the hierarchical matrix approximations and their arithmetic operations, and the tuning of the admissibility condition parameter. Together, these parameters allow for optimization of the memory requirements and performance of the preconditioner.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Proton beam quality enhancement by spectral phase control of a PW-class laser system

We report on experimental investigations of proton acceleration from solid foils irradiated with PW-class laser-pulses, where highest proton cut-off energies were achieved for temporal pulse parameters that varied significantly from those of an ideally Fourier transform limited (FTL) pulse. Controlled spectral phase modulation of the driver laser by means of an acousto-optic programmable dispersive filter enabled us to manipulate the temporal shape of the last picoseconds around the main pulse and to study the effect on proton acceleration from thin foil targets. The results show that applying positive third order dispersion values to short pulses is favourable for proton acceleration and can lead to maximum energies of 70 MeV in target normal direction at 18 J laser energy for thin plastic foils, significantly enhancing the maximum energy compared to ideally compressed FTL pulses. The paper further proves the robustness and applicability of this enhancement effect for the use of different target materials and thicknesses as well as laser energy and temporal intensity contrast settings. We demonstrate that application relevant proton beam quality was reliably achieved over many months of operation with appropriate control of spectral phase and temporal contrast conditions using a state-of-the-art high-repetition rate PW laser system.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Design of a High-Pressure Fuel System for Use with Dimethyl Ether

The paper documents the modeling and experimental work on a common rail fuel injection system for Dimethyl Ether, a potential diesel substitute with a low carbon intensity signature. The DME fuel system is deployed on a light duty 2.2L compression ignition engine. The paper describes the injector optimization to shift to higher flows to account for the lower heating value and density of the DME when compared to diesel. The type of the injection system used for the DME application is an advanced rendering of the Common rail noted for a one-piece piston-needle injector construction and a solenoid driven spill valve featuring a pressure balanced poppet. A dedicated high-pressure fuel pump designed to pressurize DME is used. The design results in a fast acting open and close injection event, reduced leakage, with reduced cavitation in the fuel injector volume. Design parameters for system optimization included fill and spill orifices, needle lift, bias spring, and injector hole size. The design model provides good correlation of the instantaneous rates of injection with experiments across a wide range of pressure and injection timings. Proposed performance milestones for the design included similar DME injection duration to the diesel counterpart for same fuel energy injected into the cylinder to retain high engine cycle efficiency. Here, the dedicated DME design provided reduced hydraulic delays of 50%. Tests demonstrated sustained operation at pressures of 1000 bar, with capability to reach 1500bar. Durability tests showed no cavitation-deterioration over a 200-hour test cycle by means of spray imaging and hardware inspection.

De Ojeda, William [WM International Engineering, L↗

NASA NTRS2012

Operational Analysis in the Launch Environment

The launch environment is a challenging regime to work due to changing system dynamics, changing environmental loading, joint compression loads that cannot be easily applied on the ground, and control effects. Operational testing is one of the few feasible approaches to capture system level dynamics since ground testing cannot reproduce all of these conditions easily. However, the most successful applications of Operational Modal Testing involve systems with good stationarity and long data acquisition times. This paper covers an ongoing effort to understand the launch environment and the utility of current operational modal tools. This work is expected to produce a collection of operational tools that can be applied to non-stationary launch environment, experience dealing with launch data, and an expanding database of flight parameters such as damping. This paper reports on recent efforts to build a software framework for the data processing utilizing existing and specialty tools; understand the limits of current tools; assess a wider variety of current tools; and expand the experience with additional datasets as well as to begin to address issues raised in earlier launch analysis studies.

James, George↗

NASA NTRS1999

Modelling of Spherical Gas Bubble Oscillations and Sonoluminescence

The discovery of single-bubble sonoluminescence has led to a renewed interest in the forced radial oscillations of gas bubbles. Many of the more recent studies devoted to this topic have used several simplifications in the modelling, and in particular in accounting for liquid compressibility and thermal processes in the bubble. In this paper the significance of these simplifications is explored by contrasting the results of Lohse and co-workers with those of a more detailed model. It is found that, even though there may be little apparent difference between the radius-versus time behaviour of the bubble as predicted by the two models, quantities such as the spherical stability boundary and the threshold for rectified diffusion are affected in a quantitatively significant way. These effects are a manifestation of the subtle dependence upon dissipative processes of the phase of radial motion with respect to the driving sound field. The parameter space region, where according to the theory of Lohse and co-workers, sonoluminescence should be observable, is recalculated with the new model and is found to be enlarged with respect to the earlier estimate. The dependence of this parameter region on sound frequency is also illustrated.

Prosperetti, A.↗

NASA NTRS2000

Nonlinear Stability and Structure of Compressible Reacting Mixing Layers

The parabolized stability equations (PSE) are used to investigate issues of nonlinear flow development and mixing in compressible reacting shear layers. Particular interest is placed on investigating the change in flow structure that occurs when compressibility and heat release are added to the flow. These conditions allow the 'outer' instability modes- one associated with each of the fast and slow streams-to dominate over the 'central', Kelvin-Helmholtz mode that unaccompanied in incompressible nonreacting mixing layers. Analysis of scalar probability density functions in flows with dominant outer modes demonstrates the ineffective, one-sided nature of mixing that accompany these flow structures. Colayer conditions, where two modes have equal growth rate and the mixing layer is formed by two sets of vortices, offer some opportunity for mixing enhancement. Their extent, however, is found to be limited in the mixing layer's parameter space. Extensive validation of the PSE technique also provides a unique perspective on central- mode vortex pairing, further supporting the view that pairing is primarily governed perspective sheds insight on how linear stability theory is able to provide such an accurate prediction of experimentally-observed, fully nonlinear flow phenomenon.

Day, M. J.↗

NASA NTRS2010

Mechanics of Re-Torquing in Bolted Flange Connections

It has been widely accepted that the phenomenon of time-dependent loosening of flange connections is a strong consequence of the viscous nature of the compression seal material. Characterizing the coupled interaction between gasket creep and elastic bolt stiffness has been useful in predicting conditions that facilitate leakage. Prior advances on this sub-class of bolted joints has lead to the development of (1) constitutive models for elastomerics, (2) initial tightening strategies, (3) etc. The effect of re-torque, which is a major consideration for typical bolted flange seals used on the Space Shuttle fleet, has not been fully characterized, however. The current study presents a systematic approach to characterizing bolted joint behavior as the consequence of sequentially applied torques. Based on exprimenta1 and numerical results, the optimal re-torquing parameters have been identified that allow for the negligible load loss after pre-load application

Gordon, Ali P.↗

NASA NTRS2026

An Investigation Regarding the Effects of Volume Dynamics on Gas Turbine Engine Performance and Operability

This work explores the impact of adding volume dynamics to an electrified turbofan engine model. The zero-dimensional single-input single-output volume elements capture the physics of fluid compressibility of flow in the engine core gas path turbomachinery during transient operation with greater fidelity. Some background regarding the motivation for this effort is provided. A model of the volume element is developed from first principles. The baseline engine model is described and an explanation is given of the modifications made to incorporate the volume elements into the new model. Details of the simulated inputs, designed to elicit exaggerated dynamic responses and to facilitate comparison between the baseline and modified engine models, are explicated. The results of these simulations are presented and discussed, demonstrating that the transient performance and operability of the modified engine model, measured by parameters such as shaft speeds, thrust, and high-pressure compressor (HPC) stall margin, are impacted by the additional dynamics. Commentary is provided regarding potential explanations for the differences in behavior exhibited by the two models. Finally, suggestions are offered for future work that might improve the volume models developed in this effort and leverage the improved fidelity enabled by the modeling of turbomachinery volume dynamics.

Volume dynamics↗

DOE OSTI2025

Numerical analysis of air dehumidification through electrospray-enhanced vortical flow cyclone separator

The dehumidification of air is a highly energy-intensive process, typically requiring vapor compression systems to cool the air significantly below its dew point temperature. Here, this study numerically investigates air dehumidification achieved by electrostatic and dielectrophoresis forces in a converging duct and centrifugal principles in cyclone separators. An electrospray was employed to energize water droplets, which then captured water vapor via dielectrophoresis. A novelty of the present study is the inclusion of a cyclone separator positioned downstream of the electrospray. This combination increased the dehumidification efficiency and controlled the flow of the condensate. By integrating electrospray technology and applying an electric field, this study examines the impact of particle separation efficiency, pressure drops, and cyclone performance on air dehumidification. The control parameters for air dehumidification were investigated. Three cyclones were modelled for airflow rates of 5 cubic feet per minute [cfm] (0.0024 m 3 /s), 38 cfm (0.0179 m 3 /s), and 200 cfm (0.094 m 3 /s). The results indicated air dehumidification was up to 5.7 % under environmental conditions, similar to those used to validate the CFD model. The degree of air dehumidification was primarily influenced by the electric charge acquired by the water droplets, their flight trajectory, and the vorticity intensity within the cyclone. Air dehumidification could increase by up to 13 % by increasing the number of droplets injected into the air stream, the flight time, and the electrical charge. The breakdown electric field strength threshold near the electrospray was a limiting factor for further enhancing dehumidification performance. This study examines the optimization of an electro-assisted dehumidification system that includes cyclone-based droplet separation through numerical analysis. The results provide insights into the design of energy-efficient air treatment technologies.

42 ENGINEERING↗

DOE OSTI2022

Zero-Field Splitting Calculations by Multiconfiguration Pair-Density Functional Theory

Zero-field splitting (ZFS) is a fundamental molecular property that is especially relevant for single-molecule magnets (SMMs), electron paramagnetic resonance spectra, and quantum computing. Developing a method that can accurately predict ZFS parameters can be very powerful for designing new SMMs. One of the challenges is to include external correlation in an inherently multiconfigurational open-shell species for the accurate prediction of magnetic properties. Previously available methods depend on expensive multireference perturbation theory calculations to include external correlation. In this paper, we present spin-orbit-inclusive multiconfiguration and multistate pair-density functional theory (MC-PDFT) calculations of ZFSs; these calculations have a cost comparable to complete-active-space self-consistent field (CASSCF) theory, but they include correlation external to the active space. We found that combining a multistate formulation of MC-PDFT, namely, compressed-state multistate pair-density functional theory, with orbitals optimized by weighted-state-averaged CASSCF, yields reasonably accurate ZFS results

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗