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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 613 records · Page 34

Unsteady airloads due to separated flow on airfoils and wings

Experimental and computational studies of airloads due to separated flows over airfoils and wings conducted at the NASA Langley Research Center are surveyed. Results are presented for cases involving local flow separation such as shock-induced separation, for the initiation of leading-edge vortex flows, and for cases involving unsteady airloads due to flows separating over remote aircraft components. Good correlation is obtained between experiment and computation for cases of locally separating flow and steady computations of vortex flow over delta wings and complex forebody geometries are shown. Physical flow modeling issues and computational requirements for the case of vertical tail buffeting are developed.

Edwards, John W.↗

Some effects of surface anomalies in a global general circulation model.

The Mintz-Arakawa two-level general circulation model has been used in a series of experiments to compute the response of the atmosphere to certain persistent sea-surface temperature anomalies and to changes in the position of the continental Northern Hemisphere snow line over periods up to 90 days. Results are shown in terms of differences between anomaly and control histories are revealed by global, 30-day mean sea-level pressure maps, and time series of three regional indices of synoptic activity. The experiments show significant interhemispheric effects after about 1 month, phase shifts of 1 to 2 weeks in major cyclone developments, stronger reactions to sea-temperature anomalies in winter than in summer, and marked influence of the snow line on the winter monsoonal pressure difference between the continents and the North Atlantic Ocean.

Spar, J.↗

Arctic ocean radiative fluxes and cloud forcing estimated from the ISCCP C2 cloud dataset, 1983-1990

Radiative fluxes and cloud forcings for the ocean areas of the Arctic are computed from the monthly cloud product of the International Satellite Cloud Climatology Project (ISCCP) for 1983-90. Spatially averaged short-wave fluxes are compared well with climatological values, while downwelling longwave fluxes are significantly lower. This is probably due to the fact that the ISCCP cloud amounts are underestimates. Top-of-the-atmosphere radiative fluxes are in excellent agreement with measurements from the Earth Radiation Budget Experiment (ERBE). Computed cloud forcings indicate that clouds have a warming effect at the surface and at the top of the atmosphere during winter and a cooling effect during summer. The net radiative effect of clouds is larger at the surface during winter but greater at the top of the atmosphere during summer. Overall the net radiative effect of clouds at the top of the atmosphere is one of cooling. This is in contrast to a previous result from ERBE data showing arctic cloud forcings have a net warming effect. Sensitivities to errors in input parameters are generally greater during winter with cloud amount being the most important paarameter. During summer the surface radiation balance is most sensitive to errors in the measurements of surface reflectance. The results are encouraging, but the estimated error of 20 W/sq m in surface net radiative fluxes is too large, given that estimates of the net radiative warming effect due to a doubling of CO2 are on the order of 4 W/sq m. Because it is difficult to determine the accuracy of results with existing in situ observations, it is recommended that the development of improved algorithms for the retrieval of surface radiative properties be accompanied by the simultaneous assembly of validation datasets.

Schweiger, Axel J.↗

Increasing Capacity in Disordered Rocksalt Cathodes by Mg Doping

Using both computations and experiments, we demonstrate that the performance of Li-excess cation-disordered rocksalt cathodes can be improved by Mg substitution. Furthermore we find that Mg reduces the amount of Li in the compound that is strongly bound to F and thereby increases the capacity. This enables the use of fluorination as a tool to improve stability of the compounds without significant loss of capacity. Mg emerged as the most optimal substitution element from a systematic computational study aimed at identifying inactive doping elements with a strong enough bonding strength to fluorine to displace Li from the F environments. Our results also show that capacity can be traded for cycle life depending on whether Mg is substituted for Li or for the redox metal. This design strategy should be considered in fluorinated cathodes, which will facilitate the design of optimized disordered rocksalt oxyfluoride cathodes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ablation and Heating During Atmospheric Entry and Its Effect on Airburst Risk

Large meteoroids and asteroids entering the atmosphere endure tremendous heating from the shock heated air, and thereby lose a significant fraction of their mass during atmospheric entry a process known as ablation. The predicted evolution of the asteroids mass as it passes through the atmosphere can affect both the predicted energy deposition profile relevant to an airburst event, or the residual mass that strikes the ground in the case of an impact event. This presentation is divided roughly into two parts. In the first part, an overview of traditional models for heat transfer and ablation that are historically used in the meteor physics community is presented, and the validity in the asteroid entry regime discussed. Sensitivity analyses performed using the recently developed Fragment-Cloud Model (FCM) will be presented which show illustrate the range of sizes and entry parameters for which the predicted asteroid threat is most sensitive to the models for ablation and heat transfer. The second part of the presentation shall focus on recent work done under NASAs Asteroid Threat Assessment Project (ATAP) to develop new models for heat transfer and ablation using high-fidelity numerical simulation in concert with state-of-the-art experiments. Coupled computational fluid dynamics (CFD)radiation transport simulations preformed using the state-of-the-art entry modeling tools at NASA show that, for large meteoroids and asteroids, there can significant attenuation of the heat transfer to the surface (95 in some cases) by the products of ablation. In addition to the heat transfer, new models for the material response and ablation of asteroidal material have been developed [cite]. In the current work, we present finding from recent novel experiments performed in the arc jet facility at NASA Ames, which allows us to, in part, simulate the extreme environment experienced by the asteroid during entry. Briefly, the experimental set-up was comprised of a 1.5 conical article of machined H5 chondrite, which was exposed to a high-enthalpy flow resulting in approximately 4 kWcm2 of heating to the surface. A still frame capture from high-speed video taken during this experiment can be seen in Figure 1. In this figure, we can observe some of the major mechanisms for meteoroid ablation, such as melt flow, spallation (mechanical removal of material), and vaporization. Major findings from this, and other experiments will be discussed, as well progress on utilizing the data from the experiments to inform and develop improved models for ablation.

Asteroids↗

Theory-guided experimental design in battery materials research

A reliable energy storage ecosystem is imperative for a renewable energy future, and continued research is needed to develop promising rechargeable battery chemistries. To this end, better theoretical and experimental understanding of electrochemical mechanisms and structure-property relationships will allow us to accelerate the development of safer batteries with higher energy densities and longer lifetimes. This Review discusses the interplay between theory and experiment in battery materials research, enabling us to not only uncover hitherto unknown mechanisms but also rationally design more promising electrode and electrolyte materials. We examine specific case studies of theory-guided experimental design in lithium-ion, lithium-metal, sodium-metal, and all-solid-state batteries. We also offer insights into how this framework can be extended to multivalent batteries. To close the loop, we outline recent efforts in coupling machine learning with high-throughput computations and experiments. Last, recommendations for effective collaboration between theorists and experimentalists are provided.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The development of a high-resolution Eulerian radiation-hydrodynamics simulation capability for laser-driven Hohlraums

Hohlraums are hollow cylindrical cavities with high-Z material walls used to convert laser energy into uniform x-ray radiation drives for inertial confinement fusion capsule implosions and high energy density physics experiments. Credible computational modeling of hohlraums requires detailed modeling and coupling of laser physics, hydrodynamics, radiation transport, heat transport, and atomic physics. We report on improvements to Los Alamos National Laboratory's xRAGE radiation-hydrodynamics code in order to enable hohlraum modeling. xRAGE's Eulerian hydrodynamics and adaptive mesh refinement make it uniquely well suited to study the impacts of multiscale features in hohlraums. In order to provide confidence in this new modeling capability, we demonstrate xRAGE's ability to produce reasonable agreement with data from several benchmark hohlraum experiments. We also use xRAGE to perform integrated simulations of a recent layered high density carbon capsule implosion on the National Ignition Facility in order to evaluate the potential impacts of the capsule support tent, mixed cell conductivity methodologies, plasma transport, and cross-beam energy transfer (XBT). We find that XBT, seeded by plasma flows in the laser entrance hole (LEH), causes a slight decrease in energy coupling to the capsule and that all of these impact the symmetry of the x-ray drive such that they have an appreciable impact on the capsule implosion shape.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

CFD Modeling for Active Flow Control

This presentation describes current work under UEET Active Flow Control CFD Research Tool Development. The goal of this work is to develop computational tools for inlet active flow control design. This year s objectives were to perform CFD simulations of fully gridded vane vortex generators, micro-vortex genera- tors, and synthetic jets, and to compare flowfield results with wind tunnel tests of simple geometries with flow control devices. Comparisons are shown for a single micro-vortex generator on a flat plate, and for flow over an expansion ramp with sidewall effects. Vortex core location, pressure gradient and oil flow patterns are compared between experiment and computation. This work lays the groundwork for evaluating simplified modeling of arrays of devices, and provides the opportunity to test simple flow control device/sensor/ control loop interaction.

Buning, Pieter G.↗

Quantifying transport and electrocatalytic reaction processes in a gastight rotating cylinder electrode reactor via integration of Computational Fluid Dynamics modeling and experiments

Understanding the complexity of the multiple processes of mass, momentum, charge, and heat transport, and how these affect reaction kinetics at the electrode/electrolyte interface is one of the major challenges in the field of energy and catalysis. The rapid and rational scale-up of electrocatalytic systems to industrial scales require a detailed understanding of nonlinear transport-reaction processes, accessible only through the building of multi-physics models that capture with high fidelity the complexity of real-world devices. The gastight rotating cylinder electrode (RCE) reactor is a promising lab-scale tool that can decouple transport from intrinsic kinetics to generate data for first-principle models useful in the design of industrial, electrochemical reactors. Computational Fluid Dynamics (CFD) studies have previously been used to investigate the bulk flow in RCE reactors for simple corrosion and electroplating processes. However, the quantification of changes in local concentration within the viscous layer where catalysis takes place requires capturing the correct flow conditions inside the hydrodynamic boundary layer near the surface of the electrode. Further, this requires simulations with spatial resolution in the nm and μm scale and temporal resolutions between ms and s scales that are similar to the timescales for reactions on the electrode surface. In this study, experimental electrocatalysis is combined with CFD modeling to elucidate and parameterize the hydrodynamics in a gastight RCE reactor. CFD simulations of the electrochemical ferricyanide reduction reaction under mass transport limited conditions are used to evaluate the validity of the CFD model parameters by comparing calculated dimensionless mass transport descriptors to dimensionless correlations obtained experimentally. Justifications for assumptions and details of the simulation methods used in this study are presented to provide a detailed understanding of the effect that each model parameter has on the ability to accurately simulate electrocatalysis in RCE systems. The simulation methodology reported here is a first step towards the development of multi-scale models for the study of transport dependent electrocatalytic processes, such as the electrochemical transformation of CO 2 to fuels and chemicals.

42 ENGINEERING↗

Developments in Performance and Portability for MadGraph5_aMC@NLO

Event generators simulate particle interactions using Monte Carlo techniques, providing the primary connection between experiment and theory in experimental high energy physics. These software packages, which are the first step in the simulation worflow of collider experiments, represent approximately 5 to 20% of the annual WLCG usage for the ATLAS and CMS experiments. With computing architectures becoming more heterogeneous, it is important to ensure that these key software frameworks can be run on future systems, large and small. In this contribution, recent progress on porting and speeding up the Madgraph5_aMC@NLO event generator on hybrid architectures, i.e. CPU with GPU accelerators, is discussed. The main focus of this work has been in the calculation of scattering amplitudes and "matrix elements", which is the computational bottleneck of an event generation application. For physics processes limited to QCD leading order, the code generation toolkit has been expanded to produce matrix element calculations using C++ vector instructions on CPUs and using CUDA for NVidia GPUs, as well as using Alpaka, Kokkos and SYCL for multiple CPU and GPU architectures. Performance is reported in terms of matrix element calculations per time on NVidia, Intel, and AMD devices. The status and outlook for the integration of this work into a production release usable by the LHC experiments, with the same functionalities and very similar user interfaces as the current Fortran version, is also described.

Valassi, Andrea↗

Image processing tools for petabyte-scale light sheet microscopy data

Light sheet microscopy is a powerful technique for high-speed three-dimensional imaging of subcellular dynamics and large biological specimens. However, it often generates datasets ranging from hundreds of gigabytes to petabytes in size for a single experiment. Conventional computational tools process such images far slower than the time to acquire them and often fail outright due to memory limitations. To address these challenges, we present PetaKit5D, a scalable software solution for efficient petabyte-scale light sheet image processing. This software incorporates a suite of commonly used processing tools that are optimized for memory and performance. Notable advancements include rapid image readers and writers, fast and memory-efficient geometric transformations, high-performance Richardson–Lucy deconvolution and scalable Zarr-based stitching. These features outperform state-of-the-art methods by over one order of magnitude, enabling the processing of petabyte-scale image data at the full teravoxel rates of modern imaging cameras. The software opens new avenues for biological discoveries through large-scale imaging experiments.

97 MATHEMATICS AND COMPUTING↗

Nanosecond solvation dynamics in a polymer electrolyte for lithium batteries

Solvation dynamics critically affect charge transport. Spectroscopic experiments and computer simulations show that these dynamics in aqueous systems occur on a picosecond timescale. In the case of organic electrolytes, however, conflicting values ranging from 1 to several 100 picoseconds have been reported. We resolve this conflict by studying mixtures of an organic polymer and a lithium salt. Lithium ions coordinate with multiple polymer chains, resulting in temporary crosslinks. Relaxation of these crosslinks, detected by quasielastic neutron scattering, are directly related to solvation dynamics. Simulations reveal a broad spectrum of relaxation times. The average timescale for solvation dynamics in both experiment and simulation is one nanosecond. Here we present the direct measurement of ultraslow dynamics of solvation shell break-up in an electrolyte.

25 ENERGY STORAGE↗

Nuclear Quality Assurance Certification of the MCNP-ORIGEN Activation Automation tool

The MCNP-ORIGEN Activation Automation (MOAA) tool couples MCNP and ORIGEN-S, allowing to support ATR and TREAT experiments by predicting their composition and activity before their irradiation takes place. MOAA is developed and maintained by the Irradiation Experiment Neutronics Analysis group (C-150) at INL. This poster presents the motivation behind the development of MOAA, its main workflow, as well as the software quality assurance (SQA) efforts required by LWP-13620, "Managing Information Technology Assets."

07 ISOTOPE AND RADIATION SOURCES↗

Recommendations for Hypersonic Boundary Layer Transition Flight Testing

Much has been learned about the physics underlying the transition process at supersonic and hypersonic speeds through years of analysis, experiment and computation. Generally, the application of this knowledge has been restricted to simple shapes like plates, cones and spherical bodies. However, flight reentry vehicles are in reality never simple. They typically are highly complex geometries flown at angle of attack so three-dimensional effects are very important, as are roughness effects due to surface features and/or ablation. This paper will review our present understanding of the physics of the transition process and look back at some of the recent flight test programs for their successes and failures. The goal of this paper is to develop rationale for new hypersonic boundary layer transition flight experiments. Motivations will be derived from both an inward look at what we believe constitutes a good flight test program as well as an outward review of the goals and objectives of some recent US based unclassified proposals and programs. As part of our recommendations, this paper will address the need for careful experimental work as per the guidelines enunciated years ago by the U.S. Transition Study Group. Following these guidelines is essential to obtaining reliable, usable data for allowing refinement of transition estimation techniques.

Berry, Scott A.↗

Ab initio predictions on the rotational spectra of carbon-chain carbene molecules

We predict rotational constants for the carbon-chain molecules H2C=(C=)nC, n=3-8, using ab initio computations, observed values for the earlier members in the series, H2CCC and H2CCCC with n=1 and 2, and empirical geometry corrections derived from comparison of computation and experiment on related molecules. H2CCC and H2CCCC have already been observed by radioastronomy; higher members in the series, because of their large dipole moments, which we have calculated, are candidates for astronomical searches. Our predictions can guide searches and assist in both astronomical and laboratory detection.

NASA Discipline Number 52-10↗

Low-Reynolds Number Aerodynamics of an 8.9 Percent Scale Semispan Swept Wing for Assessment of Icing Effects

Aerodynamic assessment of icing effects on swept wings is an important component of a larger effort to improve three-dimensional icing simulation capabilities. An understanding of ice-shape geometric fidelity and Reynolds and Mach number effects on the iced-wing aerodynamics is needed to guide the development and validation of ice-accretion simulation tools. To this end, wind-tunnel testing and computational flow simulations were carried out for an 8.9%-scale semispan wing based upon the Common Research Model airplane configuration. The wind-tunnel testing was conducted at the Wichita State University 7 ft x 10 ft Beech wind tunnel from Reynolds numbers of 0.8×10(exp 6) to 2.4×10(exp 6) and corresponding Mach numbers of 0.09 to 0.27. This paper presents the results of initial studies investigating the model mounting configuration, clean-wing aerodynamics and effects of artificial ice roughness. Four different model mounting configurations were considered and a circular splitter plate combined with a streamlined shroud was selected as the baseline geometry for the remainder of the experiments and computational simulations. A detailed study of the clean-wing aerodynamics and stall characteristics was made. In all cases, the flow over the outboard sections of the wing separated as the wing stalled with the inboard sections near the root maintaining attached flow. Computational flow simulations were carried out with the ONERA elsA software that solves the compressible, three-dimensional RANS equations. The computations were carried out in either fully turbulent mode or with natural transition. Better agreement between the experimental and computational results was obtained when considering computations with free transition compared to turbulent solutions. These results indicate that experimental evolution of the clean wing performance coefficients were due to the effect of three-dimensional transition location and that this must be taken into account for future data analysis. This research also confirmed that artificial ice roughness created with rapid-prototype manufacturing methods can generate aerodynamic performance effects comparable to grit roughness of equivalent size when proper care is exercised in design and installation. The conclusions of this combined experimental and computational study contributed directly to the successful implementation of follow-on test campaigns with numerous artificial ice-shape configurations for this 8.9% scale model.

Aerodynamics↗

The electrodynamic and hydrodynamic phenomena in magnetically-levitated molten droplets. II - Transient behavior and heat transfer considerations

Computed results are presented describing the transient evolution of the velocity and the temperature fields in a levitation-melted, electromagnetically-positioned metallic sample under microgravity, for conditions, when the heating current is switched off. Thus the calculations trace the evolution from one steady state corresponding to the simultaneous operation of both the heating and the positioning coils to that corresponding to the operation of the positioning coils only. The calculations have shown that the velocity field will decay much more rapidly than the temperature field, so that the cooling and subsequent undercooling and recalescence of the samples should take place from an essentially stagnant melt, meeting the original objectives of the experiment. The computed results for the velocity decay appear to agree with asymptotic calculations and also appear to follow the scaling laws.

Zong, Jin-Ho↗

Low-Reynolds Number Aerodynamics of an 8.9 Percent Scale Semispan Swept Wing for Assessment of Icing Effects

Aerodynamic assessment of icing effects on swept wings is an important component of a larger effort to improve three-dimensional icing simulation capabilities. An understanding of ice-shape geometric fidelity and Reynolds and Mach number effects on the iced-wing aerodynamics is needed to guide the development and validation of ice-accretion simulation tools. To this end, wind-tunnel testing and computational flow simulations were carried out for an 8.9 percent-scale semispan wing based upon the Common Research Model airplane configuration. The wind-tunnel testing was conducted at the Wichita State University 7 by 10 ft Beech wind tunnel from Reynolds numbers of 0.8×10(exp 6) to 2.4×10(exp 6) and corresponding Mach numbers of 0.09 to 0.27. This paper presents the results of initial studies investigating the model mounting configuration, clean-wing aerodynamics and effects of artificial ice roughness. Four different model mounting configurations were considered and a circular splitter plate combined with a streamlined shroud was selected as the baseline geometry for the remainder of the experiments and computational simulations. A detailed study of the clean-wing aerodynamics and stall characteristics was made. In all cases, the flow over the outboard sections of the wing separated as the wing stalled with the inboard sections near the root maintaining attached flow. Computational flow simulations were carried out with the ONERA elsA software that solves the compressible, threedimensional RANS equations. The computations were carried out in either fully turbulent mode or with natural transition. Better agreement between the experimental and computational results was obtained when considering computations with free transition compared to turbulent solutions. These results indicate that experimental evolution of the clean wing performance coefficients were due to the effect of three-dimensional transition location and that this must be taken into account for future data analysis. This research also confirmed that artificial ice roughness created with rapid-prototype manufacturing methods can generate aerodynamic performance effects comparable to grit roughness of equivalent size when proper care is exercised in design and installation. The conclusions of this combined experimental and computational study contributed directly to the successful implementation of follow-on test campaigns with numerous artificial ice-shape configurations for this 8.9 percent scale model.

Aerodynamics↗