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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Tidal Disruption Event Galaxy Binner

This software simulates astronomical survey detections of tidal disruptions of stars by super-massive black holes. It begins with the synthetic galaxy catalogue described in van Velzen 2008 (https://arxiv.org/abs/1707.03458). The stellar disruption rate in each galaxy is estimated based on Stone & Metzger 2016 (https://arxiv.org/abs/1410.7772). Based on these rates, and the present-day stellar mass function in the galaxy, disruptions are randomly sampled, and the properties of the resulting flares are sampled based on empirical distributions. The code also accounts for obscuration by dust in the host galaxy. Finally, the survey selection effects are applied. The detectable simulated flares are stored in a database, allowing histograms of their properties to be created.

Roth, NathanielJ.↗
DOE OSTI2022

Latent Space Dynamics Identification

LaSDI is a data-driven physical simulation software that forms a latent space for a given high-fidelity model and discovers a set of ordinary differential equations for the latent space dynamics. It allows a fast and accurate solution process, which is useful for multi-query decision making applications, such as design optimization and uncertainty quantification. The performance of the LaSDI framework is demonstrated on four different problems, i.e., 1D and 2D Burgers equations, nonlinear heat conduction, and radial advection problems. Both linear and nonlinear compression techniques, such as neural network and proper orthogonal decomposition, are used to form a latent space. A concept of local dynamics identification procedure is introduced to enable a parametric model, which enhances the accuracy level over a given parameter space.

Fries, William↗
DOE OSTI2023

GSAS-II (GENERAL STRUCTURE AND ALAYSIS SYSTEM-II)

GSAS-II is a comprehensive data analysis and simulation software package for determining atomistic structures from single-crystal and powder diffraction data. X-ray, neutron and electron data may be used. Constant-wavelength, time-of-flight and pink-beam sources may be employed and analyses may combine different types of data. The package is oriented towards materials characterization problems, but protein crystallography, pair-distribution function analysis, small-angle scattering and reflectometry analysis are all included. GSAS-II provides tools for indexing and solving structures from powder diffraction data, in addition to structure, data and results visualization tools

TOBY, BRIANH↗
DOE OSTI2023

Semi-Analytical Leakage Solutions for Aquifers (SALSA) v1

SALSA is a semi-analytical modeling tool that can provide assessments of pressure perturbations and brine leakage because of fluid injection and extraction activities in sedimentary basins. Sedimentary basins typically contain vertical sequences of near-horizontal aquifers separated by less-permeable aquitards. In the context of geologic carbon sequestration (GCS), while aquitards are relied upon to contain injected buoyant free-phase CO2 and limit inter-aquifer brine flow, the large number of leaky wells (e.g., unused/unsuccessful exploration wells, or improperly plugged water or oil/gas wells) that are present in sedimentary basins creates concerns for potential leakage and groundwater contamination. The mathematical theory and solution method included in SALSA is presented in our recent manuscript under review. SALSA is the first to account for the coupled leakage through aquitards and leaky wells, with geologic pressurization sources. SALSA based on semi-analytical solutions can be computationally very efficient for problems containing many injection and leaky wells in multilayered sedimentary systems, compared to any numerical simulation software requiring local mesh refinement around each well to obtain accurate results. Therefore, stakeholders (e.g., regulators, operators) for site screening, injection and post-injection pressure behavior and assessing leakage risks can use SALSA as a fast-predictive tool in GCS applications in multilayered aquifer systems.

Cihan, Abdullah↗
DOE OSTI2025

DEMographic MicrOSimulation (DEMOS) v2.0

DEMOS is an agent-based simulation framework used to evolve population demographic characteristics or lifecycle events such as education, marital status etc. DEMOS modules are designed to capture the interdependencies of short-term and long-term lifecycle events often influential in downstream transportation and land use modeling. An important facet of DEMOS is that it is dynamic, meaning it captures the impact of an agent's demographic characteristics in year 't' on their demographic status in year 't+1'. This has important consequences on medium- and long-term downstream modeling in different domains, such as transportation where decisions such as household vehicle transactions (i.e., buying, selling, or replacing a vehicle) depend current or past household vehicle holdings as well as household transitions. Other downstream modeling that can be enabled by DEMOS include building technology adoption or retrofit decisions, and more. DEMOS modules include: individual age progression year by year, individual mortality events, household restructuring events including marriage match-making; household birth events; individual education participation; individual labor force participation; child leaving household; household in-migration and out-migration for the region; household residence location choice and household mandatory destination choice (work and school). This version of DEMOS is tailored to be integrated with the land use simulation software UrbanSim.

Caicedo, Juan [UrbanSim, Inc.]↗
DOE OSTI2025

HDF5 in the exascale era: Delivering efficient and scalable parallel I/O for exascale applications

Accurately modeling real-world systems requires scientific applications at exascale to generate massive amounts of data and manage data storage efficiently. However, parallel input and output (I/O) faces challenges due to new application workflows and the state-of-the-art memory, interconnect, and storage architectures considered in exascale designs. The storage hierarchy has expanded with node-local persistent memory, solid-state storage, and traditional disk and tape-based storage, thus requiring efficiency at each layer and much more efficient data movement among these layers. This paper discusses how the ExaHDF5 project improved the I/O performance and data management for exascale architectures by enhancing HDF5, a widely used parallel I/O library. The team developed an Asynchronous I/O Virtual Object Layer (VOL) connector that allowed overlapping I/O with computation. They also created a Cache VOL to complement asynchronous I/O by incorporating fast storage layers, such as burst buffer and node-local storage, into the parallel I/O workflow through caching and staging data. Additionally, the team enabled data aggregation and I/O at the node level by using a Subfiling Virtual File Driver (VFD). To demonstrate superior I/O performance with HDF5 at exascale, the ExaHDF5 team collaborated with several exascale applications. In this paper, we show I/O performance improvements for three applications: Cabana (a particle-based simulation library), EQSIM (a regional earthquake simulation software), and E3SM (a climate system modeling library).

Asynchronous I/Ol↗
DOE OSTI2019

Deep learning for accelerated all-dielectric metasurface design

Deep learning has risen to the forefront of many fields in recent years, overcoming challenges previously considered intractable with conventional means. Materials discovery and optimization is one such field, but significant challenges remain, including the requirement of large labeled datasets and one-to-many mapping that arises in solving the inverse problem. Here we demonstrate modeling of complex all-dielectric metasurface systems with deep neural networks, using both the metasurface geometry and knowledge of the underlying physics as inputs. Our deep learning network is highly accurate, achieving an average mean square error of only 1.16 × 10 -3 and is over five orders of magnitude faster than conventional electromagnetic simulation software. We further develop a novel method to solve the inverse modeling problem, termed fast forward dictionary search (FFDS), which offers tremendous controls to the designer and only requires an accurate forward neural network model. These techniques significantly increase the viability of more complex all-dielectric metasurface designs and provide opportunities for the future of tailored light matter interactions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Enter the AHU (36th Chamber of ASHRAE): A Multi-site Field Study of ASHRAE G36

Despite being recognized as the best practice for advanced building controls, ASHRAE Guideline 36 (G36) has seen slow adoption in retrofit cases. Decisionmakers lack credible field evidence to justify the time and person-power investment. Most prior analyses have relied on software simulations, which overlook implementation challenges and fail to persuade owners to move from models to real-world deployment. This paper presents a multi-site field study of G36 performance, drawing on measured results from 17 projects across diverse building types and climate zones. The analysis disaggregates outcomes by the most widely adopted air handling unit (AHU) based G36 strategies, including trim-and-respond approaches to supply air temperature (SAT) and duct static pressure (DSP) reset, and economizer controls. Results for controls re programming implementations are encouraging, with HVAC savings ranging from 2% - 49%, with a median of 18%. The range aligns with simulation study findings showing 1% - 46% savings through these three strategies. These findings show that even without capital investment in control infrastructure upgrades, existing building owners are reaping significant benefits from updating HVAC sequences of operation to industry best-practice solutions. The results give practitioners and decisionmakers a reference point on what to expect, which strategies deliver, and how field performance may compare to simulation.

Deshpande, Reva↗
DOE OSTI2010

Characterization of cation environments in polycrystalline forsterite by Mg-25 MAS, MQMAS, and QCPMG NMR

Forsterite (Mg2SiO4) is a silicate mineral frequently studied in the Earth sciences as it has a simple crystal structure and fast dissolution kinetics (elemental release rates under typical conditions on the order of 10-7 mol/m2/s1). During the dissolution process, spectroscopic techniques are often utilized to augment solution chemical analysis and to provide data for determining reaction mechanisms. Nuclear magnetic resonance (NMR) is able to interrogate the local bonding arrangement and coordination of a particular nuclide to obtain in structural information. Although previous NMR studies have focused on the silicon and oxygen environments in forsterite, studies focusing on the two nonequivalent magnesium environments in forsterite are limited to a few single-crystal studies. In this study, we present the results of 25Mg MAS, MQMAS, and static QCMG experiments performed on a powdered sample of pure synthetic forsterite. We also present spectral fits obtained from simulation software packages, which directly provide quadrupolar parameters for 25Mg nuclei occupying each of the two nonequivalent magnesium sites in the forsterite structure. These results are compared to calculations of the electric field gradient tenor conducted in previous ab initio studies to make definitive assignments correlating each peak to their respective magnesium site in the forsterite structure. Although previous NMR investigations of forsterite have focused on single-crystal samples, we have focused on powdered forsterite as the increased surface area of powdered samples makes them more amenable to laboratory-scale dissolution studies and, ultimately, the products from chemical weathering may be monitored an quantified.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Modular Adaptive Packing for Integrally Cooled Absorbers

Process intensification is one cornerstone in ION Clean Energy’s (ION) efforts to lowering CO2 capture cost. ION has modeled, designed, and fabricated an innovative gas-liquid contactor known as Modular Adaptive Packing (MAP). During two successful SBIR Phase I and II projects entitled: “Rapid Design and Testing of Novel Gas-Liquid Contacting Devices for Post-Combustion CO2 Capture via 3D-printing”, ION developed and proved this new technology at bench scale. MAP, a 3D-printed lattice-structured packing, combines the absorber gas/liquid contactor with an innovative in-situ heat-exchanger. Thanks to the capabilities of 3D-printing, the lattice structure of MAP contains hollow channels through which coolant water can be pumped to remove the heat of reaction from CO2 absorption. ION refers to this novel method of heat exchange as intracooling. After 25.4 cm (10 in) diameter MAP modules were fabricated, ION built and tested a packing characterization rig at its pilot facility in Boulder, Colorado, U.S.A. To provide baseline results for the characterization rig, ION tested Sulzer’s Mellapak™ 250Y (MP250Y) as a standard structured packing. ION’s MAP was then compared directly to the baseline MP250Y packing to evaluate key indicators including pressure drop, liquid hold-up, and effective area. MAP has a higher pressure drop than MP250Y at the same gas velocities in addition to greater liquid holdup. However, ION found that MAP displays a higher wetting coverage of 93% compared to 65% for MP250Y and reduces shearing forces that result in undesirable droplet formation. Using Optimized Gas Treating’s (OGT) rate-based simulation software ProTreat®, a conceptual evaluation of MAP was modeled for a CO2 absorber using 30 wt% MEA solvent over a range of lean loadings at 90% CO2 capture from a coal-fired power plant. ION modeled a 25-meter column absorber for both the standard MP250Y packing and a hybrid column. The hybrid absorber contained 10 m of MP250Y packing at the top and bottom with the middle 5 meters comprised of MAP. Compared to a traditional intercooled absorber, MAP can remove 22% more heat and increase overall MEA carrying capacity by 4% without increasing overall pressure drop.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2012

Particle Physics at the University of Pittsburgh Summary Report for Proposal Period FY'09-11

Presented is the final summary report for grant DOE-FG02-91ER40646. The HEP group at the University consists of three tasks: B,D and L. Task B supports Pitt's CDF group at the energy frontier which includes Joe Boudreau and Paul Shepard. Work of the group includes Hao Song's thesis on the measurement of the B_c lifetime using exclusive J/psi+pion decays, and an update of the previous B_c semi-leptonic analyses under the supervision of Paul Shepard. Task D supports Pitt's neutrino group at the intensity frontier which includes PIs Dytman, Naples and Paolone. The group also includes postdoctoral research associate Danko, and thesis students Isvan (MINOS), Eberly (Minerva ), Ren (Minerva )and Hansen (T2K). This report summarizes their progress on ongoing experiments which are designed to make significant contributions to a detailed understanding of the neutrino mixing matrix. Task L supports Pitt's ATLAS group at the energy frontier and includes investigators Vladimir Savinov, James Mueller and Joe Boudreau. This group contributed both to hardware (calorimeter electronics, Savinov) and to software (Simulation, Detector Description, and Visualization: Boudreau and Mueller; MC generators: Savinov) and a summary of their progress is presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2012

Manufacturing Process Modeling of 100-400 kW e Combined Heat and Power Stationary Fuel Cell Systems

A one year project to examine the processes employed in the manufacture of combined heat and power stationary fuel cells operating in the 100-400kWe range was commissioned in June 2010. The results of this project would be used to inform decision makers in charge of allocating R&D resources by highlighting the most expensive steps in the manufacturing process where processing alternatives might have the greatest potential for high impact cost reduction. Three fuel cell technologies were examined: phosphoric acid (PAFC), molten carbonate (MCFC), and solid oxide (SOFC) fuel cells. Two fuel cell technologies, PAFC and MCFC, are represented by commercially available products within the study boundaries. United Technologies Corporation (UTC) offers the PureCell 400 ® , a 400 kWe combined heat and power PAFC system. FuelCell Energy (FCE) offers the DFC-300 ® , a 375 kWe combined heat and power MCFC. A combined heat and power SOFC within the study boundaries is not available in the marketplace at the time of this study. Process based cost models using 2010 dollars were developed for each fuel cell technology. For all three technologies, model boundaries encompassed all direct and indirect materials; direct and indirect labor; capital, maintenance, tooling, floor space, and energy costs associated with the manufacturing process. Cost estimates were developed with academic and patent literature, industry partners, supplier quotations, Monte Carlo simulation software, and DFMA software. Life cycle and non-manufacturing costs such as sales, administration, R&D, office floor space, and profit were not quantified. Results presented are for assumed annual production volumes of 5, 20, 50, and 500 MWe/yr, and expressed in terms of dollars per kilowatt of electrical energy. A model baseline production volume of 20 MWe/yr (similar to recent production volumes experienced by UTC and FCE) was assumed for all three technologies.

Warren, Joshua A.↗
DOE OSTI2012

A Low Cost, High Capacity Regenerable Sorbent for Pre-combustion CO 2 Capture

The overall objective of the proposed research is to develop a low cost, high capacity CO 2 sorbent and demonstrate its technical and economic viability for pre-combustion CO 2 capture. The specific objectives supporting our research plan were to optimize the chemical structure and physical properties of the sorbent, scale-up its production using high throughput manufacturing equipment and bulk raw materials and then evaluate its performance, first in bench-scale experiments and then in slipstream tests using actual coal-derived synthesis gas. One of the objectives of the laboratory-scale evaluations was to demonstrate the life and durability of the sorbent for over 10,000 cycles and to assess the impact of contaminants (such as sulfur) on its performance. In the field tests, our objective was to demonstrate the operation of the sorbent using actual coal-derived synthesis gas streams generated by air-blown and oxygen-blown commercial and pilot-scale coal gasifiers (the CO 2 partial pressure in these gas streams is significantly different, which directly impacts the operating conditions hence the performance of the sorbent). To support the field demonstration work, TDA collaborated with Phillips 66 and Southern Company to carry out two separate field tests using actual coal-derived synthesis gas at the Wabash River IGCC Power Plant in Terre Haute, IN and the National Carbon Capture Center (NCCC) in Wilsonville, AL. In collaboration with the University of California, Irvine (UCI), a detailed engineering and economic analysis for the new CO 2 capture system was also proposed to be carried out using Aspen Plus™ simulation software, and estimate its effect on the plant efficiency.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2012

Demonstration with Energy and Daylighting Assessment of Sunlight Responsive Thermochromic (SRT) Window Systems

Pleotint, LLC was able to successfully extrude thermochromic interlayer for use in the fenestration industry. Pleotint has developed a thermochromic sytem that requires two thermochromic colors to make a neutral color when in the tinted state. These two colors were assembled into a single interlayer called a tri-layer prelam by Crown Operations for use in the glass lamination industry. Various locations, orientations, and constructions of thermochromic windows were studied with funds from this contract. Locations included Australia, California, Costa Rica, Indiana, Iowa, Mexico. Installed orientations included vertical and skylight glazing applications. Various constructions included monolithic, double pane, triple pane constructions. A daylighting study was conducted at LinEl Signature. LinEl Signature has a conference room with a sylight roof system that has a west orientation. The existing LinEl Signature conference room had constant tint 40% VLT transparent skylights. Irradiance meters were installed on the interior and exterior sides of a constant tint skylight. After a month and a half of data collection, the irradiance meters were removed and the constant tint skylights were replaced with Pleotint thermochromic skylight windows. The irradiance meters were reinstalled in the same locations and irradiance data was collected. Both data sets were compared. The data showed that there was a linear relationship with exterior and interior irradiance for the existing constant tint skylights. The thermochromic skylights have a non-linear relationship. The thermochromic skylights were able to limit the amount of irradiance that passed through the thermochromic skylight. A second study of the LinEl Signature conference was performed using EnergyPlus to calculate the amount of Illuminance that passed through constant tint skylights as compared to thermochromic skylights. The constant tint skylights transmitted Illuminance is 2.8 times higher than the thermochromic skylights during the months of May, June, July, August and 1.9 times higher than the thermochromic skylight during the months of March, April, September, October. Calculated illuminance levels were much more consistent as compared to the existing constant tint skylights installed at LinEl Signature. This allows for a more comfortable interior space in regard to glare discomfort and interior lighting control. Lawrence Berkeley National Laboratory was contracted to characterize the performance of the thermochromic interlayer and thermochromic window systems. Thermochromic interlayer was characterized with spectrometer equipment. The thermochromic window systems were characterized using LBNL’s Advanced Window Test Facility. A copy of the report can be found in the Appendix. Iowa State University was contracted to compare thermochromic window technology to constant tint technology. Iowa State University conducted the testing at the Energy Resource Station (ERS). The ERS has the ability to simultaneously test side-by-side competing building technologies. The building is equipped with two identical air handling units, each with its own dedicated and identical chiller. One air handling unit supplies the four test rooms designated as the A rooms and the other unit serves the four test rooms designated as the B rooms. There is one A test room and one B test rooms arranged as pairs in a side-by-side design with each pair having a different exposure. There is a pair of test rooms that face the south, an east and west facing pair. Each of the test rooms is a mirror image of its match with identical construction. The rooms are unoccupied; however, the capability to impose false loads on the rooms exists. The false loads and room lighting can be scheduled to simulate various usage patterns. A copy of the report can be found in the Appendix. GARD Analytics was contracted to compare EnergyPlus building simulations to the data recorded at the Iowa ERS. The goal of this research was to validate the building simulation software developed by the US Department of Energy. EnergyPlus is a whole building software package that includes thermochromic window system algorithms. The accuracy of these thermochromic window system algorithms were of special interest for this research.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2013

Analysis of Daylighting Requirements within ASHRAE Standard 90.1

Pacific Northwest National Laboratory (PNNL), under the Building Energy Codes Program (BECP) funded by U.S. Department of Energy (DOE), provides support to the ASHRAE/IES/IESNA Standard 90.1(Standard 90.1) Standing Standards Project Committee (SSPC 90.1) and its subcommittees. In an effort to provide the ASHRAE SSPC 90.1 with data that will improve the daylighting and fenestration requirements in the Standard, PNNL collaborated with Heschong Mahone Group (HMG), now part of TRC Solutions. Combining EnergyPlus, a whole-building energy simulation software developed by DOE, with Radiance, a highly accurate illumination modeling software (Ward 1994), the daylighting requirements within Standard 90.1 were analyzed in greater detail. The initial scope of the study was to evaluate the impact of the fraction of window area compared to exterior wall area (window-to-wall ratio (WWR)) on energy consumption when daylighting controls are implemented. This scope was expanded to study the impact of fenestration visible transmittance (VT), electric lighting controls and daylighted area on building energy consumption.

90.1↗
DOE OSTI2013

Analysis of the Production Cost for Various Grades of Biomass Thermal Treatment

Process flow sheets were developed for the thermal treatment of southern pine wood chips at four temperatures (150, 180, 230, and 270 degrees C) and two different scales (20 and 100 ton/hour). The larger capacity processes had as their primary heat source hot gas assumed to be available in quantity from an adjacent biorefinery. Mass and energy balances for these flow sheets were developed using Aspen Plus process simulation software. The hot gas demands in the larger processes, up to 1.9 million lb/hour, were of questionable feasibility because of the volume to be moved. This heat was of low utility because the torrefaction process, especially at higher temperatures, is a net heat producer if the organic byproduct gases are burned. A thermal treatment flow sheet using wood chips dried in the biorefinery to 10% moisture content (rather than 30% for green chips) with transfer of high temperature steam from the thermal treatment depot to the biorefinery was also examined. The equipment size information from all of these cases was used in several different equipment cost estimating methods to estimate the major equipment costs for each process. From these, factored estimates of other plant costs were determined, leading to estimates (± 30% accuracy) of total plant capital cost. The 20 ton/hour processes were close to 25 million dollars except for the 230 degrees C case using dried wood chips which was only 15 million dollars because of its small furnace. The larger processes ranged from 64-120 million dollars. From these capital costs and projections of several categories of operating costs, the processing cost of thermally treated pine chips was found to be $28-33 per ton depending on the degree of treatment and without any credits for steam generation. If the excess energy output of the two 20 ton/hr depot cases at 270 degrees C can be sold for $10 per million BTU, the net processing cost dropped to $13/ton product starting with green wood chips or only $3 per ton if using dried chips from the biorefinery. Including a 12% return on invested capital raised all of the operating cost results by about $20/ton.

09 BIOMASS FUELS↗