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NASA NTRS1988

A streamwise upwind algorithm for the Euler and Navier-Stokes equations applied to transonic flows

A new algorithm was developed for the Euler and Navier-Stokes equations that uses upwind differencing based on the streawise direction. This algorithm is time accurate and can be used in codes for calculating unsteady transonic flows over wings. Such codes can be used for the flutter analysis of wings. In this algorithm, the coordinate system is locally rotated to align with the streamwise direction. For differencing the convective terms in the streamwise direction, a new form of flux splitting is employed, in which the biasing depends on the local Mach number. In the plane perpendicular to the stream direction, the new flux splitting uses the condition of no flow in that local plane. By using a locally rotated coordinate system, the convective flux vector biasing depends on the total Mach number. Hence, the switching of the flux vector biasing occurs across shock waves and the proper domain of dependence is used in supersonic regions. For comparison, many other upwind methods switch differencing based on Mach number of shock waves in multidimensional flows. The formulas for the convective flux vector differencing do not contain any user specified parameters. So, the amount of numerical dissipation is automatically determined.

Goorjian, Peter M.↗

NASA NTRS1988

A streamwise upwind algorithm for the Euler and Navier-Stokes equations applied to transonic flows

A new algorithm was developed for the Euler and Navier-Stokes equations that uses upwind differencing based on the streamwise direction. This algorithm is time accurate and can be used in codes for calculating unsteady transonic flows over wings. Such codes can be used for the flutter analysis of wings. In this algorithm, the coordinate system is locally rotated to align with the streamwise direction. For differencing the convective terms in the streamwise direction, a new form of flux splitting is employed, in which the biasing depends on the local Mach number. In the plane perpendicular to the stream direction, the new flux splitting uses the condition of no flow in that local plane. By using a locally rotated coordinate system, the convective flux vector biasing depends on the total Mach number. Hence, the switching of the flux vector biasing occurs across shock waves and the proper domain of dependence is used in supersonic regions. For comparison, many other upwind methods switch differencing based on Mach number of shock wave in multidimensional flows. The formulas for the convective flux vector differencing do not contain any user specified parameters. So, the amount of numerical dissipation is automatically determined.

Goorjian, P. M.↗

DOE OSTI2024

Investigation of acoustic waves under subsurface conditions to improve the predictions of rock mechanical properties and natural fracture characteristics

Mechanical properties and natural fracture characteristics are critical to investigate for subsurface engineering applications, including carbon storage, well drilling, and stimulation, as they govern rock stability, fluid flow, and mechanical behavior under stress. This dissertation integrates experimental and machine learning approaches to enhance the prediction and understanding of these properties by analyzing acoustic wave behavior under varied subsurface conditions. First, the influence of temperature, pore pressure, and supercritical CO2 (scCO2) saturation on poroelastic properties is examined using Gray Berea sandstone samples. The results show that temperature and pore pressure significantly affect the bulk modulus and Biot’s coefficient, while scCO2 saturation impacts rock compressibility, informing strategies for effective geological carbon storage. The study extends this understanding by experimentally evaluating the impact of reservoir depletion on the dynamic mechanical properties of the emerging Caney shale in South Oklahoma with the employment of unsupervised machine learning to predict static mechanical properties across the Caney shale. Integrating petrophysical data and chemostratigraphy, the workflow—featuring K-means clustering, principal component analysis (PCA), and inverse distance weighting (IDW)—improves stratigraphic characterization and the estimation of static-to-dynamic modulus ratios, which is vital for optimizing drilling and stimulation strategies. Finally, the work explores how natural fracture characteristics in shale influence acoustic waveforms and shear wave splitting (SWS) analysis. Experimental data on fractured samples under different stress and temperature conditions, combined with machine learning models such as K-nearest neighbors (KNN) and extreme gradient boosting (XGBoost), reveal key fracture properties impacting SWS and wave propagation. Together, these studies provide a comprehensive framework for linking acoustic wave behavior with rock properties, advancing the methods for monitoring and predicting geomechanical changes. The insights offered valuable implications for safer, more efficient CO2 injection, hydrocarbon extraction, and subsurface management.

Elkholy, Sherif↗

NASA NTRS1992

Investigation of upwind, multigrid, multiblock numerical schemes for three dimensional flows. Volume 1: Runge-Kutta methods for a thin layer Navier-Stokes solver

A state-of-the-art computer code has been developed that incorporates a modified Runge-Kutta time integration scheme, upwind numerical techniques, multigrid acceleration, and multi-block capabilities (RUMM). A three-dimensional thin-layer formulation of the Navier-Stokes equations is employed. For turbulent flow cases, the Baldwin-Lomax algebraic turbulence model is used. Two different upwind techniques are available: van Leer's flux-vector splitting and Roe's flux-difference splitting. Full approximation multi-grid plus implicit residual and corrector smoothing were implemented to enhance the rate of convergence. Multi-block capabilities were developed to provide geometric flexibility. This feature allows the developed computer code to accommodate any grid topology or grid configuration with multiple topologies. The results shown in this dissertation were chosen to validate the computer code and display its geometric flexibility, which is provided by the multi-block structure.

Cannizzaro, Frank E.↗

DOE OSTI2021

Machine Learning Using Open Data Sources for Detection of Nuclear Proliferation Activities (U)

In FY2020, Savannah River National Laboratory (SRNL) in collaboration with the Sanghani Center for Artificial Intelligence and Data Analytics (SCAIDA) at Virginia Polytechnic Institute and State University (VT) and funded by the Department of Energy’s (DOE) Defense Nuclear Nonproliferation Research and Development, began developing a demonstration prototype system that uses multiple machine learning and data analytic methods on large-scale open data sources to identify new, developing, and/or undeclared nuclear programs. Using the announcement in May 2018 of the proposed Savannah River Plutonium Processing Facility (SRPPF) as a test subject, the goal of this 2-year project is to forecast the SRPPF using only data prior to May 2018. The project work is split into a preliminary prototype development for the first year with an initial evaluation of viability followed by the second year of development to create an integrated prototype system and more extensive performance evaluation. This report documents the results of the preliminary-phase tasks.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

NASA NTRS1988

Navier-Stokes calculations of hovering rotor flowfields

Unsteady, thin-layer Navier-Stokes equations written in rotor coordinates are solved using a partially flux-split, implicit numerical algorithm to calculate the flowfields of a hovering rotor blade at subsonic and transonic conditions. Numerical results are in good agreement with experimental data for both nonlifting and lifting rectangular blades. For the lifting case, the rotor wake effects are modeled by applying a correction to the geometric angle of attack of the blades. Alternate methods of calculating the hovering rotor flowfields in blade-fixed mode that have the same circulation distribution as a hovering blade are explored. All of the results presented in this paper were computed on a Cray-2 supercomputer.

Srinivasan, G. R.↗

NASA NTRS1989

Solution techniques for incompressible flow problems

A three-step Petrov-Galerkin (PG)/operator spliting scheme for the time-dependent incompressible Navier-Stokes equations is proposed. Each time step is split into two Stokes problems and one nonlinear convection-diffusion problem. Using a PG technique on the two outer Stokes problems ensures a stable scheme despite equal-order interpolation, while using a streamline upwind PG scheme on the inner convection-diffusion problem ensures a numerically stable solution at high Reynolds numbers. Numerical tests of this method have been carried out.

Tezduyar, T. E.↗

NASA NTRS2006

Pointing Reference Scheme for Free-Space Optical Communications Systems

A scheme is proposed for referencing the propagation direction of the transmit laser signal in pointing a free-space optical communications terminal. This recently developed scheme enables the use of low-cost, commercial silicon-based sensors for tracking the direction of the transmit laser, regardless of the transmit wavelength. Compared with previous methods, the scheme offers some advantages of less mechanical and optical complexity and avoids expensive and exotic sensor technologies. In free-space optical communications, the transmit beam must be accurately pointed toward the receiver in order to maintain the communication link. The current approaches to achieve this function call for part of the transmit beam to be split off and projected onto an optical sensor used to infer the pointed direction. This requires that the optical sensor be sensitive to the wavelength of the transmit laser. If a different transmit wavelength is desired, for example to obtain a source capable of higher data rates, this can become quite impractical because of the unavailability or inefficiency of sensors at these wavelengths. The innovation proposed here decouples this requirement by allowing any transmit wavelength to be used with any sensor. We have applied this idea to a particular system that transmits at the standard telecommunication wavelength of 1,550 nm and uses a silicon-based sensor, sensitive from 0.5 to 1.0 micrometers, to determine the pointing direction. The scheme shown in the figure involves integrating a low-power 980-nm reference or boresight laser beam coupled to the 1,550-nm transmit beam via a wavelength-division-multiplexed fiber coupler. Both of these signals propagate through the optical fiber where they achieve an extremely high level of co-alignment before they are launched into the telescope. The telescope uses a dichroic beam splitter to reflect the 980- nm beam onto the silicon image sensor (a quad detector, charge-coupled device, or active-pixel-sensor array) while the 1,550- nm signal beam is transmitted through the optical assembly toward the remotely located receiver. Since the 980-nm reference signal originates from the same single-mode fiber-coupled source as the transmit signal, its position on the sensor is used to accurately determine the propagation direction of the transmit signal. The optics are considerably simpler in the proposed scheme due to the use of a single aperture for transmitting and receiving. Moreover, the issue of mechanical misalignment does not arise because the reference signal and transmitted laser beams are inherently co-aligned. The beam quality of the 980-nm reference signal used for tracking is required to be circularly symmetric and stable at the tracking-plane sensor array in order to minimize error in the centroiding algorithm of the pointing system. However, since the transmit signal is delivered through a fiber that supports a single mode at 1,550 nm, propagation of higher order 980-nm modes is possible. Preliminary analysis shows that the overall mode profile is dominated by the fundamental mode, giving a near symmetric profile. The instability of the mode was also measured and found to be negligible in comparison to the other error contributions in the centroid position on the sensor array.

Wright, Malcolm↗

NASA NTRS2010

The Slope Imaging Multi-Polarization Photon-Counting Lidar: Development and Performance Results

The Slope Imaging Multi-polarization Photon-counting Lidar is an airborne instrument developed to demonstrate laser altimetry measurement methods that will enable more efficient observations of topography and surface properties from space. The instrument was developed through the NASA Earth Science Technology Office Instrument Incubator Program with a focus on cryosphere remote sensing. The SIMPL transmitter is an 11 KHz, 1064 nm, plane-polarized micropulse laser transmitter that is frequency doubled to 532 nm and split into four push-broom beams. The receiver employs single-photon, polarimetric ranging at 532 and 1064 nm using Single Photon Counting Modules in order to achieve simultaneous sampling of surface elevation, slope, roughness and depolarizing scattering properties, the latter used to differentiate surface types. Data acquired over ice-covered Lake Erie in February, 2009 are documenting SIMPL s measurement performance and capabilities, demonstrating differentiation of open water and several ice cover types. ICESat-2 will employ several of the technologies advanced by SIMPL, including micropulse, single photon ranging in a multi-beam, push-broom configuration operating at 532 nm.

Dabney, Phillip↗

DOE OSTI2017

Thin film surface modifications of thin/tunable liquid/gas diffusion layers for high-efficiency proton exchange membrane electrolyzer cells

We present that a proton exchange membrane electrolyzer cell (PEMEC) is one of the most promising devices for high-efficiency and low-cost energy storage and ultrahigh purity hydrogen production. As one of the critical components in PEMECs, the titanium thin/tunable LGDL (TT-LGDL) with its advantages of small thickness, planar surface, straight-through pores, and well-controlled pore morphologies, achieved superior multifunctional performance for hydrogen and oxygen production from water splitting even at low temperature. Different thin film surface treatments on the novel TT-LGDLs for enhancing the interfacial contacts and PEMEC performance were investigated both in-situ and ex-situ for the first time. Surface modified TT-LGDLs with about 180 nm thick Au thin film yielded performance improvement (voltage reduction), from 1.6849 V with untreated TT-LGDLs to only 1.6328 V with treated TT-LGDLs at 2.0 A/cm 2 and 80°C. Furthermore, the hydrogen/oxygen production rate was increased by about 28.2% at 1.60 V and 80°C. The durability test demonstrated that the surface treated TT-LGDL has good stability as well. Finally, the gold electroplating surface treatment is a promising method for the PEMEC performance enhancement and titanium material protection even in harsh environment.

08 HYDROGEN↗

DOE OSTI2024

Probabilistic locked mode predictor in the presence of a resistive wall and finite island saturation in tokamaks

We present a framework for estimating the probability of locking to an error field in a rotating tokamak plasma. This leverages machine learning methods trained on data from a mode-locking model, including an error field, resistive magnetohydrodynamics modeling of the plasma, a resistive wall, and an external vacuum region, leading to a fifth-order ordinary differential equation (ODE) system. It is an extension of the model without a resistive wall introduced by Akçay et al. [Phys. Plasmas 28, 082106 (2021)]. Tearing mode saturation by a finite island width is also modeled. We vary three pairs of control parameters in our studies: the momentum source plus either the error field, the tearing stability index, or the island saturation term. The order parameters are the time-asymptotic values of the five ODE variables. Normalization of them reduces the system to 2D and facilitates the classification into locked (L) or unlocked (U) states, as illustrated by Akçay et al., [Phys. Plasmas 28, 082106 (2021)]. This classification splits the control space into three regions: L̂, with only L states; Û, with only U states; and a hysteresis (hysteretic) region Ĥ, with both L and U states. In regions L̂ and Û, the cubic equation of torque balance yields one real root. Region Ĥ has three roots, allowing bifurcations between the L and U states. The classification of the ODE solutions into L/U is used to estimate the locking probability, conditional on the pair of the control parameters, using a neural network. We also explore estimating the locking probability for a sparse dataset, using a transfer learning method based on a dense model dataset.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

A unified hp-HDG framework for Friedrichs' PDE systems

Here, this work proposes a unified hp-adaptivity framework for hybridized discontinuous Galerkin (HDG) method for a large class of partial differential equations (PDEs) of Friedrichs' type. In particular, we present unified hp-HDG formulations for abstract one-field and two-field structures and prove their well-posedness. In order to handle non-conforming interfaces we simply take advantage of HDG built-in mortar structures. With split-type mortars and the approximation space of trace, a numerical flux can be derived via Godunov approach and be naturally employed without any additional treatment. As a consequence, the proposed formulations are parameter-free. We perform several numerical experiments for time-independent and linear PDEs including elliptic, hyperbolic, and mixed-type to verify the proposed unified hp-formulations and demonstrate the effectiveness of hp-adaptation. Two adaptivity criteria are considered: one is based on a simple and fast error indicator, while the other is rigorous but more expensive using an adjoint-based error estimate. The numerical results show that these two approaches are comparable in terms of convergence rate even for problems with strong gradients, discontinuities, and singularities.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Exceptional electrocatalytic oxygen evolution via tunable charge transfer interactions in La 0.5 Sr 1.5 Ni 1– x Fe x O 4±δ Ruddlesden-Popper oxides

The electrolysis of water is of global importance to store renewable energy and the methodical design of next-generation oxygen evolution catalysts requires a greater understanding of the structural and electronic contributions that give rise to increased activities. Herein, we report a series of Ruddlesden–Popper La 0.5 Sr 1.5 Ni 1– x Fe x O 4±δ oxides that promote charge transfer via cross-gap hybridization to enhance electrocatalytic water splitting. Using selective substitution of lanthanum with strontium and nickel with iron to tune the extent to which transition metal and oxygen valence bands hybridize, we demonstrate remarkable catalytic activity of 10 mA cm –2 at a 360 mV overpotential and mass activity of 1930 mA mg –1 ox at 1.63 V via a mechanism that utilizes lattice oxygen. This work demonstrates that Ruddlesden–Popper materials can be utilized as active catalysts for oxygen evolution through rational design of structural and electronic configurations that are unattainable in many other crystalline metal oxide phases.

25 ENERGY STORAGE↗

DOE OSTI2023

Direct imaging of shock wave splitting in diamond at Mbar pressure

Understanding the behavior of matter at extreme pressures of the order of a megabar (Mbar) is essential to gain insight into various physical phenomena at macroscales—the formation of planets, young stars, and the cores of super-Earths, and at microscales—damage to ceramic materials and high-pressure plastic transformation and phase transitions in solids. Under dynamic compression of solids up to Mbar pressures, even a solid with high strength exhibits plastic properties, causing the induced shock wave to split in two: an elastic precursor and a plastic shock wave. This phenomenon is described by theoretical models based on indirect measurements of material response. The advent of x-ray free-electron lasers (XFELs) has made it possible to use their ultrashort pulses for direct observations of the propagation of shock waves in solid materials by the method of phase-contrast radiography. However, there is still a lack of comprehensive data for verification of theoretical models of different solids. Here, we present the results of an experiment in which the evolution of the coupled elastic–plastic wave structure in diamond was directly observed and studied with submicrometer spatial resolution, using the unique capabilities of the x-ray free-electron laser (XFEL). The direct measurements allowed, for the first time, the fitting and validation of the 2D failure model for diamond in the range of several Mbar. Our experimental approach opens new possibilities for the direct verification and construction of equations of state of matter in the ultra-high-stress range, which are relevant to solving a variety of problems in high-energy-density physics.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Hyper Suprime-Cam Year 3 results: Cosmology from galaxy clustering and weak lensing with HSC and SDSS using the minimal bias model

Here, we present cosmological parameter constraints from a blind joint analysis of three two-point correlation functions measured from the Year 3 Hyper Suprime-Cam (HSC-Y3) imaging data, covering about 416 deg 2 , and the SDSS DR11 spectroscopic galaxies spanning the redshift range [0.15, 0.70]. We subdivide the SDSS galaxies into three luminosity-cut, and therefore nearly volume-limited samples separated in redshift, each of which acts as a large-scale structure tracer characterized by the measurement of the projected correlation function, w p ⁡(R). We also use the measurements of the galaxy-galaxy weak-lensing signal Δ⁢Σ⁡(R) for each of these SDSS samples which act as lenses for a secure sample of source galaxies selected from the HSC-Y3 shape catalog based on their photometric redshifts. We combine these measurements with the cosmic shear correlation functions, ξ ± ⁡($\vartheta$) measured for our HSC source sample. We model these observables with the minimal bias model of the galaxy clustering observables in the context of a flat Λ⁢CDM cosmology. We use conservative scale cuts, R >12 and 8⁢ℎ -1 Mpc for Δ⁢Σ and w p , respectively, where the minimal bias model is valid, in addition to conservative prior on the residual bias in the mean redshift of the HSC photometric source galaxies. We present various validation tests of our model as well as analysis methods. Our baseline analysis yields S 8 = $0.77⁢5^{+0.043}_{-0.038}$ (68% C.I.) for the Λ⁢CDM model, after marginalizing over uncertainties in other parameters. Our value of S 8 is consistent with that from the Planck 2018 data, but the credible interval of our result is still relatively large. We show that various internal consistency tests based on different splits of the data are passed. Our results are statistically consistent with those of a companion paper, which extends this analysis to smaller scales with an emulator-based halo model, using Δ⁢Σ⁡(R) and w p ⁡(R) down to R >3 and 2⁢ℎ -1 Mpc, respectively.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Direct solar self-catalyzing pyrolysis of natural gas to hydrogen and high-quality graphite (Final Technical Report)

This project, led by researchers at UCLA in partnership with Southwest Solar Technology (SST) and SolGrapH, successfully demonstrated a new method for producing clean hydrogen fuel and high-quality graphite using concentrated solar energy. The primary goal was to develop a technology that converts natural gas (primarily methane) into two valuable products—hydrogen gas and solid carbon—without releasing carbon dioxide (CO2) into the atmosphere. This process, known as solar thermal pyrolysis, uses heat from the sun to split the methane molecules directly.

03 NATURAL GAS↗

NASA NTRS1990

Efficient real gas Navier-Stokes computations of high speed flows using an LU scheme

An efficient method to account for the chemically frozen thermodynamic and transport properties of air in three dimensional Navier-Stokes calculations was demonstrated. This approach uses an explicitly specified equation of state (EOS) so that the fluid pressure, temperature and transport properties are directly related to the flow variables. Since the pressure is explicitly known as a general function of the flow variables no assumptions are made regarding the pressure derivatives in the construction of the flux Jacobians. The method is efficient since no sub-iterations are required to deduce the pressure and temperature from the flux variables and allows different equations of state to be easily supplied to the code. The flexibility of the EOS approach is demonstrated by implementing a high order TVD upwinding scheme based upon flux differencing and Van Leer's flux vector splitting. The EOS approach is demonstrated by computing the hypersonic flow through the corner region of two mutually perpendicular flat plates and through a simplified model of a scramjet module gap-seal configuration.

Coirier, William J.↗

NASA NTRS1990

Efficient real gas Navier-Stokes computations of high speed flows using an LU scheme

Coirier, William J.↗