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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 181 records · Page 10

Preliminary Study on Fine-Grained Power and Energy Measurements on Grace Hopper GH200 with Open-Source Performance Tools

The increasing adoption of tightly integrated, heterogeneous architectures, combined with the slowdown of Moore’s law, has made application power and energy-driven optimizations critical to efficiently use high-performance computing systems. This paper introduces a newly developed open-source toolkit that seamlessly integrates the Linux real-time hardware monitoring program hwmon with the Performance Application Programming Interface and the Score-P performance measurement system, thereby enabling fine-grained power and energy measurements for high-performance computing applications. Our primary target platform is the Wombat test bed, which is a system based on the NVIDIA GH200 superchip. The toolkit can capture transient power peaks with high temporal resolution (50 ms) and, thanks to Score-P integration, can map power metrics to specific code regions, thereby providing actionable information on power-intensive operations and inefficiencies. The toolkit also provides a holistic view of both the power and the energy consumption of the entire GH200 superchip by covering all major components: the Grace CPU, the Hopper GPU, and the I/O subsystem. Experiments that use Locally Self-consistent Multiple Scattering, which is an application for first-principles calculations of materials developed at Oak Ridge National Laboratory, have demonstrated the tool’s ability to identify transient power spikes and uncover opportunities for energy-aware optimizations. Additionally, we introduce a Python-based utility for converting Open Trace Format 2 traces to Parquet format, thus enabling advanced data analysis for numerical integration methods applied to power data for accurate energy profiling.

Hernandez Mendoza, Oscar [ORNL] (ORCID:00000002538↗

EFFORT (EFFectiveness Of Rate sTructure for enabling demand response)

This tool helps utilities evaluate potential time of use price-plans and find effective hours for price plan on peak periods and the potential price-elastic demand response. An optimization model can be used to find tiered prices for the time of use tariffs and analyze the impact on load profiles, energy consumption, utility, and customer savings. The tool is equipped with an optimization model to determine the energy consumption of electric appliances that can leverage survey data containing information on the number of appliances owned by customers. Lastly, a statistical model can be used to predict system-level load based on exogenous parameters such as weather, time of day, month, type of day, and year. The tool is scripted in Python and uses the Pyomo python optimization language.

Duwadi, Kapil↗

Universal Utility Data Exchange (UUDEX): Information Exchange Models for Solar DER

This report describes how the Universal Utility Data Exchange (UUDEX) can encapsulate and exchange information about distributed energy resources (DER) within UUDEX-formatted JSON documents. It proposes to use the existing extensible markup language (XML) information exchange format described in IEEE Std 2030.5, IEEE Standard for Smart Energy Profile Application Protocol but not other information exchange provisions of IEEE 2030.5, rather, relying on equivalent mechanisms in UUDEX. This will allow adoption of the UUDEX exchanges with minimal changes to the structure of the information exchanged and will not require a modification to the UUDEX documentation if IEEE 2030.5 makes changes to the information models.

42 ENGINEERING↗

Towards a Description of the Ground State Properties of LiHm Complexes and Reaction Energetics of Hydrogenation of Small Li Clusters using VQE-based Quantum Chemical Calculations

<span style="font-family: Roboto; font-size: 11pt;">This presentation describes the utilization of the variational quantum eigensolver (VQE) using a unitary coupled cluster with singles and doubles (UCCSD) ansatz to simulate a series of LiH</span><sub style="font-family: Roboto; font-size: 11pt;">n</sub><span style="font-family: Roboto; font-size: 11pt;"> molecules (n=1-3), including their singly charged ions. The performance is considered using a simulator by systematically increasing system size, providing data to compare against future VQE calculations. The predicted energy profiles are in semi-quantitative agreement with highly accurate CCSD/FCI methods.</span>

quantum computing↗

Ab Initio Molecular Dynamics Insights into Stress Corrosion Cracking and Dissolution of Metal Oxides

Oxide phases such as α-Fe2O3 (hematite) and α-Al2O3 (corundum) are highly insoluble in water; however, subcritical crack growth has been observed in humidity nonetheless. Chemically induced bond breaking at the crack tip appears unlikely due to sterically hindered molecular transport. The molecular mechanics of a crack in corundum with a reactive force field reveal minimal lattice trapping, leading to bond breaking before sufficient space opens for water transport. To address this, we model a pre-built blunt crack with space for H2O molecule adsorption at the tip and show that it reduces fracture toughness by lowering the critical J-integral. Then, we explore stress-enhanced dissolution to understand the mechanism of crack tip blunting in the oxide/water system. Density functional theory combined with metadynamics was employed to describe atomic dissolution from flat hematite and corundum surfaces in pure water. Strain accelerates dissolution, stabilizing intermediate states with broken bonds before full atom detachment, while the free energy profile of unstrained surfaces is almost monotonic. The atomistic calculations provided input for a kinetic model, predicting the shape evolution of a blunt crack tip, which displays three distinct regimes: (i) dissolution primarily away from the tip, (ii) enhanced blunting near but not at the apex, and (iii) sharpening near the apex. The transition between regimes occurs at a low strain, highlighting the critical role of water in the subcritical crack growth of oxide scales, with dissolution as the fundamental microscopic mechanism behind this process.

Chemistry↗

Observations of quiet-time interplanetary electron enhancements of Jovian origin

Electron data from Explorer 47 show a number of quiet-time enhancements in the intensity of interplanetary electrons over the energy range 0.22-2.5 MeV, lasting from 3 to 20 days both in the interplanetary medium and inside the magnetotail. The observed enhancements differ from those associated with solar electron events or magnetospheric bursts in their energy-time profiles and energy spectra, and in the presence of possible intensity fluctuations suggesting a periodicity. The energy spectra are not unlike those obtained in the vicinity of Jupiter by Pioneer 10. These observations, together with the fact that enhancements occurred during times when the earth could be magnetically connected to the magnetosphere of Jupiter, lead to the suggestion that the observed electrons may be of Jovian origin.

Krimigis, S. M.↗

Steady and unsteady transonic flow

An investigation of the transonic flow over a circular arc airfoil was conducted to obtain basic information for turbulence modeling of shock-induced separated flows and to verify numerical computer codes which are being developed to simulate such flows. The investigation included the employment of a laser velocimeter to obtain data concerning the mean velocity, the shear stress, and the turbulent kinetic energy profiles in the flowfield downstream of the airfoil midchord where the flow features are more complex. Depending on the free-stream Mach number, the flowfield developed was either steady with shock-wave-induced separation extending from the foot of the shock wave to beyond the trailing edge or unsteady with a periodic motion also undergoing shock-induced separation. The experimental data were compared with the results of numerical simulations in which a computer code was employed that solved the time-dependent Reynolds' averaged compressible Navier-Stokes equations.

Seegmiller, H. L.↗

Comparison of multiequation turbulence models for several shock-separated boundary-layer interaction flows

Several multiequation eddy viscosity models of turbulence are used with the Navier-Stokes equations to compute three classes of experimentally documented shock-separated turbulent boundary-layer flows. The types of flow studied are: (1) a normal shock at transonic speeds in both a circular duct and a two-dimensional channel; (2) an incident oblique shock at supersonic speeds on a flat surface; and (3) a two-dimensional compression corner at supersonic speeds. Established zero-equation (algebraic), one-equation (kinetic energy), and two-equation (kinetic energy plus length scale) turbulence models are each utilized to describe the Reynolds shear stress for the three classes of flows. These models are assessed by comparing the calculated values of skin friction, wall pressure distribution, velocity, Mach number, and turbulent kinetic energy profiles with experimental measurements. Of the models tested the two-equation model results gave the best overall agreement with the data.

Viegas, J. R.↗

Trailing-edge flows at high Reynolds number

An investigation of trailing-edge flows at high Reynolds number and subsonic Mach numbers is presented. Symmetric and asymmetric trailing-edge flows are studied, each flow having pressure gradient regions upstream of the trailing edge similar to an airfoil. Measurements include model surface pressures, mean velocity, turbulent shear stress, and turbulent kinetic energy profiles in the trailing-edge and near-wake regions. Comparisons of the symmetric data with numerical solutions of boundary layer as well as Navier-Stokes equations employing two different turbulence models show increasing effects on viscous interactions as the Mach number increases. Both turbulence models yielded solutions of the mean flow of comparable quality. The experimental results of the asymmetric case are discussed.

Viswanath, P. R.↗

Asymmetric trailing-edge flows at high Reynolds number

Results from an experimental investigation of asymmetric trailing-edge flows at high Reynolds numbers and subsonic Mach numbers are presented. Measurements include skin friction; surface and flow-field pressures; and mean-velocity, turbulent shear-stress, and turbulent kinetic-energy profiles in the trailing-edge region. Comparisons are made with computed solutions using Reynolds averaged Navier-Stokes and boundary-layer equations; two different turbulence models are used. Two attached flow are considered, one having a moderate adverse pressure gradient and the other a more severe gradient. From the comparisons, an evaluation is made of the predictions for these two pressure-gradient cases. Although the comparisons demonstrate reasonable agreement for the moderate pressure-gradient case, some differences are noted for the severe pressure-gradient case.

Cleary, J. W.↗

Results of the ETV-1 breadboard tests under steady-state and transient conditions

Steady state tests were run to characterize the system and component efficiencies over the complete speed-torque capabilities of the propulsion system in both motoring and regenerative modes of operation. The steady state data were obtained using a battery simulator to separate the effects on efficiency caused by changing battery state-of-charge and component temperature. Transient tests were performed to determine the energy profiles of the propulsion system operating over the SAE J227a driving schedules.

Sargent, N. B.↗

Full-coverage film cooling. I - Three-dimensional measurements of turbulence structure. II - Prediction of the recovery-region hydrodynamics

Hydrodynamic measurements of turbulence structure were performed with a triaxial hot wire in the full coverage and the recovery regions following an array of injection holes under isothermal conditions at ambient temperature and pressure for blowing ratios of 0.9 and 0.4. High levels of turbulence kinetic energy (TKE) were determined for low blowing, and low TKE levels were found for the high blowing levels; in the recovery region, the flow can be represented by a model with an outer boundary layer and a 2-dimensional inner boundary layer. Recovery region hydrodynamics can be modelled by considering that a new boundary layer started to grow immediately after the end of blowing; the Prandtl mixing length distributions calculated from the values of mean velocity and turbulent shear stresses were consistent with the presence of a dual boundary layer structure in the recovery region. The program used here contains a one-equation model of turbulence, using turbulence kinetic energy with an algebraic mixing length; this 2-dimensional, finite difference program can predict the mean velocity and turbulence kinetic energy profiles based on initial values, boundary conditions, and a closure condition.

Yavuzkurt, S.↗

Computation of turbulent boundary layer flows with an algebraic stress turbulence model

An algebraic stress turbulence model is presented, characterized by the following: (1) the eddy viscosity expression is derived from the Reynolds stress turbulence model; (2) the turbulent kinetic energy dissipation rate equation is improved by including a production range time scale; and (3) the diffusion coefficients for turbulence equations are adjusted so that the kinetic energy profile extends further into the free stream region found in most experimental data. The turbulent flow equations were solved using a finite element method. Examples include: fully developed channel flow, fully developed pipe flow, flat plate boundary layer flow, plane jet exhausting into a moving stream, circular jet exhausting into a moving stream, and wall jet flow. Computational results compare favorably with experimental data for most of the examples considered. Significantly improved results were obtained for the plane jet flow, the circular jet flow, and the wall jet flow; whereas the remainder are comparable to those obtained by finite difference methods using the standard kappa-epsilon turbulence model. The latter seems to be promising with further improvement of the expression for the eddy viscosity coefficient.

Kim, Sang-Wook↗

Direct Numerical Simulation of Supersonic Turbulent Boundary Layers

The talk will present some initial results from the direct numerical simulation (DNS) of compressible turbulent boundary layers. We solve numerically the compressible Navier-Stokes equations using a method based on Spalart's transformation for the incompressible turbulent boundary layer. This allows the spatially developing boundary layer to be transformed to a calculation with periodic boundary conditions in the streamwise and spanwise directions. The equations are solved using Fourier expansions in the horizontal directions and B-splines in the wall-normal direction. The first simulation is at Mach 2.5 with a momentum thickness Reynolds number based on wall viscosity of R(sub theta(sup 1)) = 825. We are examining the physics of the compressible boundary layer using turbulence statistics and budget equations. The turbulence statistics include: rms (root mean square) and mean profiles, energy spectra, and two-point correlations. It is found that there are large density gradients which require significantly more resolution than the incompressible case.

Guarini, Stephen↗

Comparison of Square and Radial Geometries for High Intensity Laser Power Beaming Receivers

In an effort to further advance a realizable form of wireless power transmission (WPT), high intensity laser power beaming (HILPB) has been developed for both space and terrestrial applications. Unique optical-to-electrical receivers are employed with near infrared (IR-A) continuous-wave (CW) semiconductor lasers to experimentally investigate the HILPB system. In this paper, parasitic feedback, uneven illumination and the implications of receiver array geometries are considered and experimental hardware results for HILPB are presented. The TEM00 Gaussian energy profile of the laser beam presents a challenge to the effectiveness of the receiver to perform efficient photoelectric conversion, due to the resulting non-uniform illumination of the photovoltaic cell arrays. In this investigation, the geometry of the receiver is considered as a technique to tailor the receiver design to accommodate the Gaussian beam profile, and in doing so it is demonstrated that such a methodology is successful in generating bulk receiver output power levels reaching 25 W from 7.2 sq cm of photovoltaic cells. These results are scalable, and may be realized by implementing receiver arraying and utilizing higher power source lasers to achieve a 1.0 sq m receiver capable of generating over 30 kW of electrical power. This type of system would enable long range optical "refueling" of electric platforms, such as MUAV s, airships, robotic exploration missions and provide power to spacecraft platforms which may utilize it to drive electric means of propulsion. In addition, a smaller HILPB receiver aperture size could be utilized to establish a robust optical communications link within environments containing high levels of background radiance, to achieve high signal to noise ratios.

Raible, Daniel E.↗

Simple Ion Channels: From Structure to Electrophysiology and Back

A reliable way to establish whether our understanding of a channel is satisfactory is to reproduce its measured ionic conductance over a broad range of applied voltages in computer simulations. In molecular dynamics (MD), this can be done by way of applying an external electric field to the system and counting the number of ions that traverse the channel per unit time. Since this approach is computationally very expensive, we have developed a markedly more efficient alternative in which MD is combined with the electrodiffusion (ED) equation. In this approach, the assumptions of the ED equation can be rigorously tested, and the precision and consistency of the calculated conductance can be determined. We have demonstrated that the full current/voltage dependence and the underlying free energy profile for a simple channel can be reliably calculated from equilibrium or non-equilibrium MD simulations at a single voltage. To carry out MD simulations, a structural model of a channel has to be assumed, which is an important constraint, considering that high-resolution structures are available for only very few simple channels. If the comparison of calculated ionic conductance with electrophysiological data is satisfactory, it greatly increases our confidence that the structure and the function are described sufficiently accurately. We examined the validity of the ED for several channels embedded in phospholipid membranes - four naturally occurring channels: trichotoxin, alamethicin, p7 from hepatitis C virus (HCV) and Vpu from the HIV-1 virus, and a synthetic, hexameric channel, formed by a 21-residue peptide that contains only leucine and serine. All these channels mediate transport of potassium and chloride ions. It was found that the ED equation is satisfactory for these systems. In some of them experimental and calculated electrophysiological properties are in good agreement, whereas in others there are strong indications that the structural models are incorrect.

molecular dynamics (MD↗