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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Fast estimation of reaction rates in spherical and non-spherical porous catalysts

Here we present a methodology for modeling multi-step reaction rates in porous catalyst particles for use in CFD-DEM and two fluid models. Single-step effectiveness factors based on a Thiele modulus, while useful, cannot accurately capture the cascading reaction systems common in high temperature vapor-phase chemical reactors like fluidized catalytic cracking units and catalytic biomass fast pyrolysis systems. Instead, multi-step effectiveness vectors derived from steady-state solutions to the governing reaction-diffusion equations are needed. Solutions for various catalyst shapes are presented, including spheres, cylinders, and prisms. Computational challenges inherent in repeated evaluation of reaction rates with diffusion limitations are discussed, and an efficient implementation based on pre-computed lookup tables is proposed and demonstrated on a simulation of a fluidized bed reactor. Open-source code is provided for the compilation of reaction rate tables for use in ODE, DEM, and two-fluid models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

A novel generalized metal dissolution approach for the synthesis of mixed valent mesoporous metal oxides

A novel approach is introduced to synthesize multivalent, mesoporous metal oxides with high surface area using zero oxidation state precursors. In this paper, the synthesis and comprehensive characterization of the metal oxides of s block, p block, transition metal, and lanthanide series elements are reported. Some of the synthesized metal oxides showed mixed phases at relatively low temperatures which is advantageous over single-phase materials. The initial metal dissolution process allows this method to be extended to any metal in the periodic table and metal alloys. A green and highly efficient catalytic sp 2 -sp 2 C–C coupling reaction is carried out using high surface area MoO3 (142 m 2 /g) where complete conversion is observed within one hour.

36 MATERIALS SCIENCE↗
DOE OSTI2020

US Department of Energy, Office of Science High Performance Computing Facility Operational Assessment 2019 Oak Ridge Leadership Computing Facility

Oak Ridge National Laboratory's (ORNL's) Leadership Computing Facility (OLCF) continues to surpass its operational target goals: supporting users; delivering fast, reliable computational ecosystems; creating innovative solutions for high performance computing (HPC) needs; and managing risks, safety, and security associated with operating some of the most powerful computers in the world. The results can be seen in the cutting-edge science conducted by users and the praise from the research community. Calendar year (CY) 2019 was a big year as OLCF staff ran five world-class resources (the leadershipclass computers Titan and Summit, the large analysis cluster called Eos, and the massive parallel filesystems called Atlas and Alpine)) and also began power and cooling upgrades for a 2021 exascale system called Frontier. While continuing exceptional operation of Titan, Eos, and Rhea, the OLCF released the Summit supercomputer for production on January 1, 2019. Summit debuted as the most capable and efficient system in its class and has been recognized as the most powerful system in the world for its performance on both the high performance linpack (HPL) and conjugate gradient (HPCG) benchmark applications since June 2018 according to TOP500. Summit represents the culmination of a multiyear effort between the OLCF, IBM, NVIDIA, and Mellanox to deliver a system that is unmatched for modeling, simulation, data analysis, and learning. To hit the ground running with science-ready applications on day one, application teams worked closely with the OLCF through the Center for Accelerated Application Readiness (CAAR) program for years in advance of the Summit deployment. CY 2019 was filled with outstanding results and accomplishments: a very high rating from users on overall satisfaction for the sixth year in a row; a tremendous amount of core-hours delivered to researchers from two leadership-class systems; and success in delivering on the allocation split of roughly 60%, 30%, and 10% of core-hours offered for the Innovative and Novel Computational Impact on Theory and Experiment (INCITE), Advanced Scientific Computing Research Leadership Computing Challenge (ALCC), and Director's Discretionary (DD) programs, respectively (see Operational Performance section). These accomplishments, coupled with the high utilization rates (overall and capability usage), represent the fulfillment of the promise of both leadership-class machines: efficient facilitation of leadership-class computational applications. Table ES.1 presents a summary of the 2019 OLCF metric targets and the associated results. More information can be found in the Operational Performance section for each OLCF resource. The scientific accomplishments of OLCF users are a strong indication of long-term operational success, with publications this year in such notable journals and publications as Nature, Nature Physics, Nature Plants, Physical Review X, Journal of the American Physical Society, Cell, Nano Letters, and Trends in Biotechnology. Crucial domain-specific discoveries facilitated by resources at the OLCF are described in the High Performance Computing Facility Operational Assessment 2019 Oak Ridge Leadership Computing Facility (OAR) Strategic Results section. For example, researchers used Summit to pinpoint and understand the production of proteins from genetic information, including mutations and the functional expression of disease (Section 8.2).

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1994

Two-sample discrimination of Poisson means

This paper presents a statistical test for detecting significant differences between two random count accumulations. The null hypothesis is that the two samples share a common random arrival process with a mean count proportional to each sample's exposure. The model represents the partition of N total events into two counts, A and B, as a sequence of N independent Bernoulli trials whose partition fraction, f, is determined by the ratio of the exposures of A and B. The detection of a significant difference is claimed when the background (null) hypothesis is rejected, which occurs when the observed sample falls in a critical region of (A, B) space. The critical region depends on f and the desired significance level, alpha. The model correctly takes into account the fluctuations in both the signals and the background data, including the important case of small numbers of counts in the signal, the background, or both. The significance can be exactly determined from the cumulative binomial distribution, which in turn can be inverted to determine the critical A(B) or B(A) contour. This paper gives efficient implementations of these tests, based on lookup tables. Applications include the detection of clustering of astronomical objects, the detection of faint emission or absorption lines in photon-limited spectroscopy, the detection of faint emitters or absorbers in photon-limited imaging, and dosimetry.

Lampton, M.↗
NASA NTRS2003

Assessment, Validation, and Refinement of the Atmospheric Correction Algorithm for the Ocean Color Sensors

The primary focus of this proposed research is for the atmospheric correction algorithm evaluation and development and satellite sensor calibration and characterization. It is well known that the atmospheric correction, which removes more than 90% of sensor-measured signals contributed from atmosphere in the visible, is the key procedure in the ocean color remote sensing (Gordon and Wang, 1994). The accuracy and effectiveness of the atmospheric correction directly affect the remotely retrieved ocean bio-optical products. On the other hand, for ocean color remote sensing, in order to obtain the required accuracy in the derived water-leaving signals from satellite measurements, an on-orbit vicarious calibration of the whole system, i.e., sensor and algorithms, is necessary. In addition, it is important to address issues of (i) cross-calibration of two or more sensors and (ii) in-orbit vicarious calibration of the sensor-atmosphere system. The goal of these researches is to develop methods for meaningful comparison and possible merging of data products from multiple ocean color missions. In the past year, much efforts have been on (a) understanding and correcting the artifacts appeared in the SeaWiFS-derived ocean and atmospheric produces; (b) developing an efficient method in generating the SeaWiFS aerosol lookup tables, (c) evaluating the effects of calibration error in the near-infrared (NIR) band to the atmospheric correction of the ocean color remote sensors, (d) comparing the aerosol correction algorithm using the singlescattering epsilon (the current SeaWiFS algorithm) vs. the multiple-scattering epsilon method, and (e) continuing on activities for the International Ocean-Color Coordinating Group (IOCCG) atmospheric correction working group. In this report, I will briefly present and discuss these and some other research activities.

Wang, Menghua↗
NASA NTRSDate not supplied

Is LaTeX Use Correlated with the Number of Equations in a Manuscript?

Astronomers often use LaTeX to compose and submit paper manuscripts (1), but its adoption is not universal. Some journals prefer Word submissions, and large organizations with standardized software loads may also pressure their scientists to use Word. Furthermore, text and table transcription has been shown to be more efficient with Word than with LaTeX (2). LaTeX is most favored by fields that are mathematically intensive (1). While Knauff and Nejasmic (2) found Word to be similarly efficient in transcribing equations, users reported greater enjoyment of LaTeX. We suspect that Word may therefore influence its users to include fewer equations, but this underlying hypothesis is not easily tested. We test the hypothesis that manuscripts submitted to the arXiV in LaTeX format have more equations on average than those submitted in PDF format only.

Althea V Moorhead↗
DOE OSTI2016

The fan of influence of streams and channel feedbacks to simulated land surface water and carbon dynamics

Large-scale land models assume unidirectional land-to-river hydrological interactions, without considering feedbacks between channels and land. Using a tested, physically based model with explicit multiway interactions between overland, channel, wetland, and groundwater flows, we assessed how the representation and properties of channels influence simulated land surface hydrologic, biogeochemical, and ecosystem dynamics. A zone near the channels where various fluxes and states are significantly influenced by the channels, referred to as the fan of influence (FoI) of channels, has been identified. We elucidated two mechanisms inducing the model-derived FoI: the base flow mechanism, in which incised, gaining streams lower the water table and induce more base flow, and the relatively more efficient conveyance of the channel network compared to overland flow. We systematically varied drainage density and grid resolution to quantify the size of the FoI, which is found to span a large fraction of the watershed (25-50%) for hydrologic variables including depth to water table and recharge, etc. The FoI is more pronounced with low-resolution simulations but remains noticeable in hyperresolution (25 m) subbasin simulations. The FoI and the channel influence on basin-average fluxes are also similar in simulations with alternative parameter sets. We found that high-order, entrenched streams cause larger FoI. In addition, removing the simulated channels has disproportionally large influence on modeled wetland areas and inundation duration, which has implications for coupled biogeochemical or ecological modeling. Our results suggest that explicit channel representation provides important feedbacks to land surface dynamics which should be considered in meso or large-scale simulations. Since grid refinement incurs prohibitive computational cost, subgrid channel parameterization has advantages in efficiency over grid-based representations that do not distinguish between overland flow and channel flow.

58 GEOSCIENCES↗
DOE OSTI2024

Optimization of a High Pressure Turbine Blade and Sector-Based Annular Rig Design for Supercritical CO2 Power Cycle Representative Testing

Abstract As part of the ongoing research into the design of hardware for zero emission cycles, a first-stage high-pressure turbine (HPT) blade is optimized for a 300 MWe supercritical CO2 (sCO2) power cycle using the surrogate-assisted genetic algorithm optimizer in Numeca FINE/Design three-dimensional with objectives of increasing efficiency and decreasing heat load to the blade. Supercritical CO2 property tables are constructed from NIST REFPROP data for the condensable gas simulation in FINE/Turbo. A detailed mesh sensitivity study is performed for a baseline design to identify the proper-grid refinement and efficiently allocate resources for the optimization. Seventy design variables are selected for the initial population generation. Self-organizing maps are then used to focus the design variables on the most important ones affecting the objective functions. The optimization results in approximately 3000 three-dimensional Reynolds Averaged Navier Stokes simulations of different blade shapes with increases in efficiency of up to 0.85% and decreases in heat load of 14%. Families of blade shapes are identified for experimental testing in an annular rig at the Purdue Experimental Turbine Aerothermal Laboratory. A design to adapt the annular cascade for testing optimized geometries is introduced, which features eccentric radius sectors allowing for scaled-up geometries of sCO2 optimized blade profiles to be tested at design cycle representative conditions at high Reynolds numbers in dry air. Analysis into the effects of Reynolds number, working fluid, and geometric relations are presented to prove the efficacy of the test method.

Engineering↗
DOE OSTI2010

Adaptive and Efficient Computing for Subsurface Simulation within ParFlow

This project is concerned with the PF.WRF model as a means to enable more accurate predictions of wind fluctuations and subsurface storage. As developed at LLNL, PF.WRF couples a groundwater (subsurface) and surface water flow model (ParFlow) to a mesoscale atmospheric model (WRF, Weather Research and Forecasting Model). It was developed as a unique tool to address coupled water balance and wind energy questions that occur across traditionally separated research regimes of the atmosphere, land surface, and subsurface. PF.WRF is capable of simulating fluid, mass, and energy transport processes in groundwater, vadose zone, root zone, and land surface systems, including overland flow, and allows for the WRF model to both directly drive and respond to surface and subsurface hydrologic processes and conditions. The current PF.WRF model is constrained to have uniform spatial gridding below the land surface and matching areal grids with the WRF model at the land surface. There are often cases where it is advantageous for land surface, overland flow and subsurface models to have finer gridding than their atmospheric counterparts. Finer vertical discretization is also advantageous near the land surface (to properly capture feedbacks) yet many applications have a large vertical extent. However, the surface flow is strongly dependent on topography leading to a need for greater lateral resolution in some regions and the subsurface flow is tightly coupled to the atmospheric model near the surface leading to a need for finer vertical resolution. In addition, the interactions (e.g. rain) will be highly variable in space and time across the problem domain so an adaptive scheme is preferred to a static strategy to efficiently use computing and memory resources. As a result, this project focussed on algorithmic research required for development of an adaptive simulation capability in the PF.WRF system and its subsequent use in an application problem in the Central Valley of California. This report documents schemes of use for a future implementation of an adaptive grid capability within the ParFlow subsurface flow simulator in PF.WRF. The methods describe specific handling of the coarse/fine boundaries within a cell-centered discretization of the nonlinear parabolic Richards equation model for variable saturated flow. In addition, we describe development of a spline fit and table lookup method implemented within ParFlow to enhance computational efficiency of variably saturated flow calculations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Quantum Complexity of the Kronecker Coefficients

Whether or not the Kronecker coefficients of the symmetric group count some set of combinatorial objects is a longstanding open question. In this work we show that a given Kronecker coefficient is proportional to the rank of a projector that can be measured efficiently using a quantum computer. In other words a Kronecker coefficient counts the dimension of the vector space spanned by the accepting witnesses of a QMA verifier, where QMA is the quantum analogue of NP . This implies that approximating the Kronecker coefficients to within a given relative error is not harder than a certain natural class of problems that captures the complexity of estimating thermal properties of quantum many-body systems. A second consequence is that deciding positivity of Kronecker coefficients is contained in QMA , complementing a recent NP -hardness result of Ikenmeyer, Mulmuley, and Walter. We obtain similar results for the related problem of approximating row sums of the character table of the symmetric group. Finally, we discuss an efficient quantum algorithm that approximates normalized Kronecker coefficients to inverse-polynomial additive error. Published by the American Physical Society 2024

Physics↗
DOE OSTI2011

New Methodology for Estimating Fuel Economy by Vehicle Class

Office of Highway Policy Information to develop a new methodology to generate annual estimates of average fuel efficiency and number of motor vehicles registered by vehicle class for Table VM-1 of the Highway Statistics annual publication. This paper describes the new methodology developed under this effort and compares the results of the existing manual method and the new systematic approach. The methodology developed under this study takes a two-step approach. First, the preliminary fuel efficiency rates are estimated based on vehicle stock models for different classes of vehicles. Then, a reconciliation model is used to adjust the initial fuel consumption rates from the vehicle stock models and match the VMT information for each vehicle class and the reported total fuel consumption. This reconciliation model utilizes a systematic approach that produces documentable and reproducible results. The basic framework utilizes a mathematical programming formulation to minimize the deviations between the fuel economy estimates published in the previous year s Highway Statistics and the results from the vehicle stock models, subject to the constraint that fuel consumptions for different vehicle classes must sum to the total fuel consumption estimate published in Table MF-21 of the current year Highway Statistics. The results generated from this new approach provide a smoother time series for the fuel economies by vehicle class. It also utilizes the most up-to-date and best available data with sound econometric models to generate MPG estimates by vehicle class.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Accurate noncovalent interactions in atomistic systems via quantum Drude oscillators

Accurately modeling polarization and van der Waals (vdW) interactions in atomistic systems typically requires high-level quantum-mechanical methods that are computationally expensive, hence limited in applicability. To address this challenge, efficient yet physically grounded models are needed—ones that not only enable accurate predictions but also provide insight into how noncovalent interactions scale in complex molecular and material systems. This review highlights the quantum Drude oscillator (QDO) model, a physically motivated and computationally efficient framework that captures the essential features of electronic response, including polarization and dispersion forces, across a wide range of chemical and material systems. We discuss how the QDO model quantitatively reproduces the polarization response of many-electron atoms and how key components of noncovalent interactions—exchange-repulsion, polarization, and dispersion—emerge naturally in QDO dimers. Furthermore, the model provides predictive scaling laws that elucidate trends in polarizability and dispersion across the periodic table and in molecular assemblies. By uniting interpretability, accuracy, and efficiency, the QDO model offers a versatile approach for modeling noncovalent interactions in systems ranging from isolated molecules to complex condensed phases and nanostructured materials.

Khabibrakhmanov, Almaz [Univ. of Luxembourg, Luxem↗
DOE OSTI2025

Hydraulic Testing of the Lost Lake Aquifer Near Recovery Well RWM001R

An aquifer pumping test was conducted on the Lost Lake Aquifer Zone (LLAZ) at the recently installed recovery well RWM001R in accordance with the approved test plan (Dixon, 2024). The objective of the testing was to determine baseline well performance parameters and aquifer hydraulic conductivity. This testing consisted of two step-drawdown tests to determine well performance properties and two constant pumping rate aquifer tests with recovery periods to determine aquifer hydraulic properties. Well performance parameters determined included specific capacity, well efficiency, and head loss coefficients. The results of the step-drawdown testing are presented in Tables ES1 and ES2 whereas the results of the constant pumping rate testing are presented in Table ES3. The average specific capacity of RWM001R operating at pump capacity (~54 gpm) was 2.2 gpm/ft using data from the final step of both tests. The average well efficiency determined from both step-drawdown tests was 56% using data from the final step of both tests. For both step-drawdown tests, well efficiency was inversely related to the pumping rate with the average efficiency decreasing from approximately 79% to 56%. Aquifer head loss coefficients from both tests were comparable (Table ES2).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2012

Measurement of the jet radius and transverse momentum dependence of inclusive jet suppression in lead-lead collisions at s N N = 2.76 TeV with the ATLAS detector

CERN-LHC. Measurements of the ratio, Rcp, between jet production in the central to peripheral regions in Lead Lead collisions at a centre of mass energy/nucleon of 2.76 TeV. Jets are reconstructed with |eta|<2.1, covering the jet PT range 38-210 GeV, using the anti-Kt algorithm with norminal jet radii of R=0.2, 0.3, 0.4 and 0.5. Seven regions of centrality are considered from the most peripheral of 60-80% to the most central 0-10%. Rcp is studied as a function of jet PT, number of participating nucleons NPART and R for each of the centrality regions, as well as the ratio of Rcp/Rcp(R=0.2) as a function of jet PT for each R=0.3, 0.4 and 0.5. Finally values of the covariance matrix for staistical correlations between jet PT bins are given. In the tables the first systematic errors are from JES, JER, efficiency, xin and Rcoll and are 100% correlated in PT. The second systematic errors are those that are partially correlated or uncorrelated in pt, taken to be 100% uncorrelated, from the regularization parameter.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1977

Baseline tests of the EPC Hummingbird electric passenger vehicle

The rear-mounted internal combustion engine in a four-passenger Volkswagen Thing was replaced with an electric motor made by modifying an aircraft generator and powered by 12 heavy-duty, lead-acid battery modules. Vehicle performance tests were conducted to measure vehicle maximum speed, range at constant speed, range over stop-and-go driving schedules, maximum acceleration, gradeability limit, road energy consumption, road power, indicated energy consumption, braking capability, battery charger efficiency, and battery characteristics. Test results are presented in tables and charts.

Slavik, R. J.↗
NASA NTRS1983

High speed machining of space shuttle external tank liquid hydrogen barrel panel

Actual and projected optimum High Speed Machining data for producing shuttle external tank liquid hydrogen barrel panels of aluminum alloy 2219-T87 are reported. The data included various machining parameters; e.g., spindle speeds, cutting speed, table feed, chip load, metal removal rate, horsepower, cutting efficiency, cutter wear (lack of) and chip removal methods.

Hankins, J. D.↗
DOE OSTI2022

High Efficiency Heat Pumps Can Pave the Path for Building Decarbonization in Cold Climates: Preprint

Heat pumps play an instrumental role in buildings decarbonization strategies. Recent advances in heat pump systems employ variable-speed compressor technology and electronically commutated fan motors. Inherently, the heating capacity and efficiency of heat pumps decrease with falling outdoor temperatures. Compared to single-speed heat pumps, variable speed systems can maintain higher heating and cooling efficiencies over a wider range of outdoor temperatures. The goal of this multi-phase project was to determine the energy savings of a high efficiency, variable-speed, air-source, split system heat pump designed for cold climate applications. The first project phase was to evaluate the performance of the heat pump in the laboratory under varying outdoor conditions in heating and cooling modes. The second phase was to translate the laboratory-measured performance into lookup tables for EnergyPlus hourly building simulation engine. Then, two sets of annual building simulations were performed using typical meteorological year weather from the Chicago-O'Hare airport for three different building types (a single-family residence, a strip mall, and a low-rise office building). The first set simulated a standard efficiency heat pump while the second set utilized the phase two performance tables to model a high efficiency heat pump. The high efficiency heat pump produced significant annual heating energy savings in all three buildings. The variable speed compressor and fan control also contributed to cooling energy savings. The simulated annual energy savings ranged from 22% to 35% over their respective baseline. The project's findings helped a Midwest electric utility, Commonwealth Edison (ComEd), design new incentives around high efficiency heat pumps.

cold climate heat pump↗