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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 OSTI2027

From zonal to nodal capacity expansion planning: Spatial aggregation impacts on a realistic test-case

Solving power system capacity expansion planning (CEP) problems at realistic spatial resolutions is computationally challenging. Thus, a common practice is to solve CEP over zonal models with low spatial resolution rather than over full-scale nodal power networks. Due to improvements in solving large-scale stochastic mixed integer programs, these computational limitations are becoming less relevant, and the assumption that zonal models are realistic and useful approximations of nodal CEP is worth revisiting. Here, this work is the first to conduct a systematic computational study on the assumption that spatial aggregation can reasonably be used for ISO-scale CEP. By considering a realistic, large-scale test network based on the state of California with over 8000 buses, we find that well-designed small spatial aggregations can yield good approximations but that coarser zonal models may result in large distortions of investment decisions, e.g., capacity under-investment of up to 41% for the lowest resolution model considered.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Multilevel well modeling in aggregation-based nonlinear multigrid for multiphase flow in porous media

A full approximation scheme (FAS) nonlinear multigrid solver for two-phase flow and transport problems driven by wells with multiple perforations is developed here. It is an extension to our previous work on FAS solvers for diffusion and transport problems. The solver is applicable to discrete problems defined on unstructured grids as the coarsening algorithm is aggregation-based and algebraic. To construct coarse basis that can better capture the radial flow near wells, coarse grids in which perforated well cells are not near the coarse-element interface are desired. This is achieved by an aggregation algorithm proposed in this paper that makes use of the location of well cells in the cell-connectivity graph. Numerical examples in which the FAS solver is compared against Newton's method on benchmark problems are given. In particular, for a refined version of the SAIGUP model, the FAS solver is at least 35% faster than Newton's method for time steps with a CFL number greater than 10.

58 GEOSCIENCES↗
DOE OSTI2024

CoarsenConf: Equivariant Coarsening with Aggregated Attention for Molecular Conformer Generation

Molecular conformer generation (MCG) is an important task in cheminformatics and drug discovery. The ability to efficiently generate low-energy 3D structures can avoid expensive quantum mechanical simulations, leading to accelerated virtual screenings and enhanced structural exploration. Several generative models have been developed for MCG, but many struggle to consistently produce high-quality conformers for meaningful downstream applications. To address these issues, we introduce CoarsenConf, which coarse-grains molecular graphs based on torsional angles and integrates them into an SE(3)-equivariant hierarchical variational autoencoder. Through equivariant coarse-graining, we aggregate the fine-grained atomic coordinates of subgraphs connected via rotatable bonds, creating a variable-length coarse-grained latent representation. Our model uses a novel aggregated attention mechanism to restore fine-grained coordinates from the coarse-grained latent representation, enabling efficient generation of accurate conformers. Furthermore, we evaluate the chemical and biochemical quality of our generated conformers on multiple downstream applications, including property prediction and large-scale oracle-based protein docking. Overall, CoarsenConf generates more accurate conformer ensembles compared to prior generative models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Phonon modulation of strongly coupled gold tetrahedral plasmonic nanoparticles and a carbocyanine J-aggregate

Coupling exciton and plasmon excitations to form polaritons are of great interest for manipulating energy transfer at the nanoscale via the formation of hybrid light–matter states. In this study, we successfully couple gold tetrahedral nanoparticles with the J-aggregate forming dye 5,5′,6,6′-tetrachloro-1,1′-diethyl-3,3′-di(4-sulfobutyl)-benzimidazolocarbocyanine (TDBC) to form a strongly coupled colloidal polariton system with a Rabi splitting energy of ∼206 meV. These gold tetrahedra exhibit coherent phonon modes upon photoexcitation, which produce transient oscillations of the LSPR energy for isolated tetrahedra. Transient absorption measurements of the polariton system were performed and show how these coherent phonon modes influence the polariton states’ extinction. We found that the oscillation period increases by 0.5 ± 0.14 ps upon surface deposition of TDBC dye, demonstrating LSPR sensitivity to the refractive index environment. Shifts in the plasmon resonance due to the coherent phonon modes transiently alters LSPR alignment with the J-aggregate exciton peak, resulting in shifts of the hybrid polariton states’ oscillator strength.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

BAMCensus (The Behavior and Advanced Mobility Census Dataset Aggregator) [SWR-25-120]

This software is a high-performance tool developed in Rust for downloading and processing large-scale geospatial datasets, specifically focusing on US Census data. It is designed to address scaling limitations found in existing tools, such as R's [tidycensus](https://walker-data.com/tidycensus/), by providing performant streaming dataset JOIN operations between various US Census datasets (like ACS and LEHD) and their corresponding geometries stored on the TIGER/Lines web server. The tool automates the process of joining these data sources, returning aggregated data to the user based on a specified census GEOID type. The tool automates the process of joining these data sources, returning aggregated data to the user based on a specified census GEOID type. Its primary motivation stems from the need for a high-performance solution to combine spatial datasets with graph traversals within the context of mobility analysis tooling being developed at NREL's Behavior and Advanced Mobility (BAM) group.

Fitzgerald, Robert [National Renewable Energy Labo↗
DOE OSTI2024

Model Formulations: Integrating Distributed Energy Resources (DER) using Advanced Unit Commitment Models and DER Aggregation Methodologies

A distribution energy resource aggregator (DERA) constitutes a group of distribution energy resources with small generation capacities which meet the threshold to participate in the electricity wholesale market. This document provides the proposed DERA model formulation that will be implemented in the SCUC simulation’s architecture for the SCUC-DER project. Different economical assessment methodologies have been developed to incorporated bids for individual distributed resources, which include solar cost dispatch and cost model, BESS opportunity cost offer algorithm, and price sensitive demand response model. Detailed methods are proposed to aggregate individual cost offers to a DERA cost curve to bid in SCUC market while three methods are proposed to simulate DER actual dispatch. Based on the DERA models in this document, the SCUC-DER project will be able to assess the impacts of DERA on the distribution system’s operation and reliability.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Community Choice Aggregation(CCA) Data Collection Webinar for Status and Trends in the Voluntary Market Report (2024 Data) [Slides]

We have subcontracted LEAN Energy US, to help us improve our CCA data collection effort for the Annual Voluntary Energy Markets Data Report. LEAN Energy US (Local Energy Aggregation Network) is a national 501(c)3 non-profit organization dedicated to accelerating the country's transition to clean and renewable power, supporting competition and customer choice in the energy sector, and maintaining affordable electricity rates. We work in partnership with a range of organizations to actively support the formation and operational success of Community Choice Aggregation (CCA) programs around the country. This webinar, hosted in partnership with LEAN Energy US, is intended to introduce their members to our data collection effort and encourage CCAs in their network to participate.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

Congestion Management Solutions for Enhanced Distribution System Operations with Aggregated Distribution Grid Resources Providing Grid Services and Market Participation

Microgrids and other aggregations of distribution grid resources (DGRs) are poised to actively participate in electricity markets and provide essential grid services in the coming years. In fact, DGRs already play such a role through behind-the-meter (BTM) demand response programs and small-scale BTM dispatchable generation initiatives. At the same time, the rapid growth of artificial intelligence (AI) and cryptocurrency datacenters imposes significant, often unpredictable, demands on the power distribution system. Aggregated DGRs can serve as flexible resources that help mitigate these pressures by using available transmission and distribution capacity more efficiently, supporting resource adequacy and other reliability services, and providing bridge strategies while long-term transmission infrastructure is being developed. The impacts this activity will have on distribution networks are not fully understood and could present significant challenges for distribution utilities due to capacity constraints and the need for congestion management. Technical issues include reverse power flow, variability and possible degradation of equipment integrity, voltage violations, and customer power quality concerns. These issues will likely intensify as electricity market operators across the United States implement Federal Energy Regulatory Commission Order 2222 over the next few years.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Charging, aggregation, and electrostatic dispersion of radioactive and nonradioactive particles in the atmosphere

Electrostatic dispersion can significantly impact the microphysical behavior of charged particles and ions until reaching zero space charge. However, although radioactive particles can be strongly charged in air, the influence of electrostatic dispersion has been neglected in understanding their behavior. This study is aimed at investigating the time evolution of the charge and size distributions of radioactive and nonradioactive particles in air and developing simple approaches for applications. With processes involving charging, aggregation, and electrostatic dispersion, a comprehensive population balance model (PBM) has been developed to examine particle charge/size distribution dynamics. It is shown that compared to nonradioactive particles, the charge and size distributions of radioactive particles may evolve differently with time because radioactivity and electrostatic dispersion can significantly affect the charging and aggregation kinetics of the particles. It is found that, after the Fukushima accident, background aerosols in the pathway of radioactive plumes might be highly charged due to ionizing radiation, suggesting that radiation fields may strongly influence in situ measurements of charged atmospheric particles. The comprehensive PBM is simplified, and then the verification and application of the simplified PBMs are discussed. This study provides useful insight into how radioactivity can affect the dynamic behavior of particles in atmospheric systems including radiation sources.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1969

Aggregation of metallochlorophylls - Examination by spectroscopy

Nuclear magnetic resonance measurements determine which metallochlorophylls, besides magnesium-containing chlorophylls, possess coordination aggregation properties. Infrared spectroscopy reveals that only zinc pheophytin and zinc methyl pheophorbide showed significant coordination aggregation, whereas divalent nickel and copper did not.

Boucher, L. J.↗
NASA NTRS1979

Trace elements in the Allende meteorite. IV - Amoeboid olivine aggregates

INAA data for Ca, Sc, Hf, La, Ce, Sm, Eu, Tb, Yb, Lu, Os, Ir, Ru, Na, Cl, Br, Fe, Mn, Cr, Co, Au, As, and Sb are presented for ten amoeboid aggregates from the Allende meteorite. Only one lacks olivine. Seven of the remainder, as a group, have cosmic proportions of refractory lithophile and siderophile elements and appear to have formed when coarse-grained Allende inclusion material underwent partial reaction with a low-temperature nebular gas and mixture with FeO-rich olivine. The other two have highly fractionated abundances of refractory elements relative to one another compared to Cl chondrites, including Group II REE patterns, and probably formed by the mixing of fine-grained Allende inclusion material with FeO-rich olivine. Non-refractory siderophile components are also different in composition in each type of amoeboid olivine aggregate.

Grossman, L.↗
NASA NTRS1979

Weighted aggregation

The use of a weighted aggregation technique to improve the precision of the overall LACIE estimate is considered. The manner in which a weighted aggregation technique is implemented given a set of weights is described. The problem of variance estimation is discussed and the question of how to obtain the weights in an operational environment is addressed.

Feiveson, A. H.↗
NASA NTRS1980

Chemical energy in cold-cloud aggregates - The origin of meteoritic chondrules

If interstellar particles and molecules accumulate into larger particles during the collapse of a cold cloud, the resulting aggregates contain a large store of internal chemical energy. It is here proposed that subsequent warming of these accumulates leads to a thermal runaway when exothermic chemical reactions begin within the aggregate. These, after cooling, are the crystalline chondrules found so abundantly within chondritic meteorites. Chemical energy can also heat meteoritic parent bodies of any size, and both thermal metamorphism and certain molten meteorites are proposed to have occurred in this way. If this new theory is correct, (1) the model of chemical condensation in a hot gaseous solar system is eliminated, and (2) a new way of studying the chemical evolution of the interstellar medium has been found. A simple dust experiment on a comet flyby is proposed to test some features of this controversy.

Clayton, D. D.↗
NASA NTRS1981

Fiscal year 1980-81 implementation plan in support of technical development and integration of sampling and aggregation procedures

The specific objectives of the FY 1980-81 tasks are: (1) further refinements to the weighted aggregation procedure; (2) improved approaches for estimating within-stratum variance; (3) more intensive investigation of alternative sampling strategies such as full-frame sampling strategy, and (4) further developments in regard to a simulated approach for assessing the performance of the overall designed sampling and aggregation system.

Source record↗
NASA NTRS1985

A Study of Blood Flow and of Aggregation of Blood Cells Under Conditions of Zero Gravity: Its Relevance to the Occlusive Diseases and Cancer

The objectives of this program are: (1) to determine whether the size of red cell aggregates, kinetics and morphology of these aggregates are influenced by near-zero gravity; (2) whether viscosity, especially at low shear rate, is afflicted by near-zero gravity (the latter preventing sedimentation of red cells); (3) whether the actual shape of red cells changes; and (4) whether blood samples obtained from different donors (normal and patients suffering from different disorders) react in the same manner to near-zero gravity.

Dintenfass, L.↗
NASA NTRS1988

Geobotanical remote sensing for determination of aggregate source material

Aggregate source material suitable for facility and roadbed construction is often a very limited and highly valuable resource. The location of suitable source material is crucial to construction operations once facility requirements are established. The application of airborne and spaceborne remote sensing to terrain information requirements has proved attractive because of the rapid processing time and extensive spatial coverage associated with remotely gathered imagery. Source material identification may be improved by the remote sensing of vegetation associated with the material, particularly in areas of high vegetative cover. A research study employing remote sensing techniques was initiated to determine if vegetation could be used to discriminate parent materials for suitability as aggregate source material. Two test sites representing potential alluvial and residual source areas were selected in a semiarid region of Central California. Methods developed for the study included field observations of vegetation characteristics associated with the two parent material types along with the analysis of Thematic Mapper Simulator data flown over the test sites. The most useful images were those composites that included bands from two of the techniques (i.e., a Perpendicular Vegetation Index (PVI) band combined with principal components bands).

Minor, Timothy↗
NASA NTRS1988

Geobotanical determination of aggregate source material using Airborne Thematic Mapper imagery

The possible use of vegetation to discriminate parent materials for suitability as aggregate source material is examined. Airborne Thematic Mapper data of two test sites representing potential alluvial and residual source areas in central California were analyzed. It is found that the most useful images were composites that included principal components bands and a Perpendicular Vegetation Index band. The image processing demarcated species compositional differences which characterized a shale site and revealed differences in an alluvial site caused by moisture stress due to aggregate size and sorting.

Minor, Timothy↗