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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 1,171 records · Page 65
All sourcesNASA NTRSDOE OSTI
NASA NTRS2020

Methods of Measuring Secondary Electron Emission and Analysis of Spacecraft Charging Simulation

The scope of the internship project was to help the Electrostatics and Surface Physics Laboratory (ESPL) at KSC gain an understanding as to what parameters related to secondary electron emission (SEE), and electrostatic discharge (ESD) could be measured within its own facilities. As well as assistance in developing a plan for the ESPL to acquire the capabilities to measure other necessary parameters, to reduce the reliance on measurement data from facilities outside of the agency. The intern also worked closely with agency customers of the Launch Services Program (LSP) in expanding the MAPTIS database to incorporate various electrostatic and physical properties of materials used in the Gateway Program. This involved cross-center collaboration with industry and NASA contracted academia members in order to fill in the gaps of data that is missing from the database. Overall, the internship provided assistance in coordinating the approval for more materials to be added to the MAPTIS database, and continuing to assist the team at the ESPL in their consulting work for the agency through the use of various spacecraft charging and ESD simulation programs (i.e., NASCAP, NUMIT2.1). As well as assisting in the CAD design and implementation of an electrodynamic dust shield (EDS) for use in upcoming spaceflight missions. This was all done with the aim of helping the ESPL demonstrate its capabilities for the agency, and to continue expanding and localizing measurement techniques at KSC to help streamline obtaining the information NASA needs to ensure safety in current and future missions.

dust↗
NASA NTRS2022

Maine Ecological Forecasting II: Identifying Forest Cover and Assessing Federally Endangered Atlantic Salmon Habitat in Maine Using Earth Observations

Major declines in Atlantic salmon (Salmo salar) populations have occurred alongside dam construction, shifting temperatures, and changing land use and land cover (LULC), restricting the last remaining wild population in the United States to Maine. In collaboration with the Maine Department of Marine Resources and the Downeast Salmon Federation, the NASA DEVELOP team utilized Earth observations to assess changes within critical salmon habitat. The team used the Landsat 5 Thematic Mapper (TM), Landsat 8 Operation Land Imager (OLI), Sentinel-2 MultiSpectral Instrument (MSI), and National Land Cover Database (NLCD) to refine historical LULC maps from 1985 to 2021. The team also used elevation data from the Shuttle Radar Topography Mission (SRTM) and IDRISI TerrSet Land Change Modeler to forecast LULC change to 2040. From Terra Moderate Resolution Imaging Spectroradiometer (MODIS) land surface temperature (LST) data, the team derived a time series, summer averages, and anomaly maps between 2000 and 2021. The team analyzed LST in relation to LULC classes, specifically forest cover type, and in-situ stream temperature from the Spatial Hydro-Ecological Decision System (EcoSHEDS). LULC trends from 1985 to 2021 revealed a net transition of coniferous forest to other classes, such as deciduous forest and developed land. The team found an association between warmer temperatures and a greater presence of developed and mixed forest classes per 10,000 acres across Maine. These visualizations and analyses will aid partners in identifying riparian locations with ideal or unfavorable habitat conditions to inform Atlantic salmon population recovery efforts.

Tony Bowman↗
DOE OSTI2025

Understanding Pore Filling Processes and Adsorption/Desorption Hysteresis in Nanoporous Metal–Organic Frameworks: Insights from Grand Canonical Monte Carlo Simulations and Free Energy Calculations

Grand canonical Monte Carlo (GCMC) simulations were used to investigate pore filling and hysteresis in nanoporous metal-organic frameworks (MOFs). Adsorption and desorption isotherms were calculated for argon at 87 K in 1866 MOFs from the CoRE MOF database and for short n-alkanes in selected MOFs, keeping the adsorbent structure rigid. Analysis of the molecular configurations showed two different mechanisms and origins of hysteresis: one involving a transition of the adsorbate arrangement in the pores similar to a gas-to-liquid transition associated with a large change in the loading and one more similar to a liquid-to-solid transition associated with a relatively small change in the loading. Our GCMC simulations in MOFs with diverse pore topologies indicate exceptions to an empirical relationship for the minimum diameter of a cylindical pore required for hysteresis as a function of the adsorbate diameter and reduced temperature. The simulations reveal some structures where isotherms exhibit two steps in the adsorption branch and only one step in the desorption branch. Hysteresis loops with a different number of adsorption and desorption steps are not common. Here, to better understand why hysteresis is observed in the GCMC simulations, the concept of the transition probability for observing a step in the adsorption isotherm at a given pressure in a GCMC simulation is introduced. We used two different methods to calculate the transition probabilities and find that these yield comparable results. Furthermore, the transition probability provides a measure for the length of GCMC simulations to yield reliable results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

A catastrophic tropical drought kills hydraulically vulnerable tree species

Drought-related tree mortality is now a widespread phenomenon predicted to increase in magnitude with climate change. However, the patterns of which species and trees are most vulnerable to drought, and the underlying mechanisms have remained elusive, in part due to the lack of relevant data and difficulty of predicting the location of catastrophic drought years in advance. In this work, we used long-term demographic records and extensive databases of functional traits and distribution patterns to understand the responses of 20–53 species to an extreme drought in a seasonally dry tropical forest in Costa Rica, which occurred during the 2015 El Niño Southern Oscillation event. Overall, species-specific mortality rates during the drought ranged from 0% to 34%, and varied little as a function of tree size. By contrast, hydraulic safety margins correlated well with probability of mortality among species, while morphological or leaf economics spectrum traits did not. This firmly suggests hydraulic traits as targets for future research.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Tree-Based Ensemble Learning Models for Wall Temperature Predictions in Post-Critical Heat Flux Flow Regimes at Subcooled and Low-Quality Conditions

Accurately predicting post-critical heat flux (CHF) heat transfer is an important but challenging task in water-cooled reactor design and safety analysis. Although numerous heat transfer correlations have been developed to predict post-CHF heat transfer, these correlations are only applicable to relatively narrow ranges of flow conditions due to the complex physical nature of the post-CHF heat transfer regimes. In this paper, a large quantity of experimental data is collected and summarized from the literature for steady-state subcooled and low-quality film boiling regimes with water as the working fluid in vertical tubular test sections. In addition, a low-quality water film boiling (LWFB) database is consolidated with a total of 22,813 experimental data points, which cover a wide flow range of the system pressure from 0.1 to 9.0 MPa, mass flux from 25 to 2750 kg/m 2 s, and inlet subcooling from 1 to 70 °C. Two machine learning (ML) models, based on random forest (RF) and gradient boosted decision tree (GBDT), are trained and validated to predict wall temperatures in post-CHF flow regimes. The trained ML models demonstrate significantly improved accuracies compared to conventional empirical correlations. To further evaluate the performance of these two ML models from a statistical perspective, three criteria are investigated and three metrics are calculated to quantitatively assess the accuracy of these two ML models. For the full LWFB database, the root-mean-square errors between the measured and predicted wall temperatures by the GBDT and RF models are 5.7% and 6.2%, respectively, confirming the accuracy of the two ML models.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2005

Static Aerodynamics of the Mars Exploration Rover Entry Capsule

The static aerodynamics for the Mars Exploration Rover (MER) aeroshell are presented. This aerodynamic database was an integral part of the end-to-end simulation used in pre- entry analysis for determining the MER entry design requirements for development of the MER entry system, as well as targeting the MER landing sites. The database was constructed using the same approach used for Mars Pathfinder (MPF). However, the MER aerodynamic database is of much higher fidelity and tailored to the MER entry trajectories. This set of data includes direct simulation Monte Carlo calculations covering the transitional regime of the entry trajectory and computational fluid dynamics calculations describing the aerodynamics in the hypersonic and supersonic continuum regimes. An overview of the methodology used to generate the data is given along with comparisons to important features in the MPF aerodynamics and related heritage data. The MER and MPF comparison indicates that trajectory specific data is required to properly model the flight characteristics of a.blunt entry capsule at Mars.

Schoenenberger, Mark↗
NASA NTRS2016

Characterization of Potential Springs in the Lower Colorado Desert of Southern California using Satellite Radar and Landsat Time Series Analysis

Renewable energy development in southern California is receiving increasing attention due to potential impacts on wildlife habitats and water sources. This study was designed to quantify and map, for the first time, sub-surface water sources from springs in the Lower Colorado Desert area of southern California using satellite radar data and 30 years of Landsat satellite image data. Synthetic Aperture Radar (SAR) data was used to identify sub-surface water sources not already documented as springs or seeps in the National Hydrography Database. Landsat imagery starting in 1985 was used to characterize vegetation growth patterns at these suspected spring locations detected from SAR analysis. Results showed a total of 104 potential spring locations across the Lower Colorado Desert study area, 19 of which were detected within Solar Energy Zone (SEZ) development boundaries, roughly evenly split between Riverside East and Imperial East, and 13 of which (both inside and outside SEZs) showed relatively high green vegetation index values over the period of 1985 to 2015 that would depend on non-precipitation water sources associated with active springs.

DRECP↗
NASA NTRS2020

Determination of Lidar Ratio for Major Aerosol Types over Western North Pacific Based on Long-Term MPLNET Data

East Asia is the most complex region in the world for aerosol studies, as it encounters a lot of varieties of aerosols, and aerosol classification can be a challenge in this region. In the present study, we focused on the relationship between aerosol types and aerosol optical properties. We analyzed the long-term (2005–2012) data of vertical profiles of aerosol extinction coefficients, lidar ratio (Sp), and other aerosol optical properties obtained from a NASA Micro-Pulse Lidar Network and Aerosol Robotic Network site in northern Taiwan, which frequently receives Asian continental outflows. Based on aerosol extinction vertical profiles, the profiles were classified into two types: type 1 (single-layer structure) and type 2 (two-layer structure). Fall season (October–November) was the prevailing season for the Type 1, whereas type 2 mainly happened in spring (March–April). In type 1, air masses normally originated from three regional sectors, i.e., Asia continental (AC), Pacific Ocean (PO), and Southeast Asia (SA). The mean Sp values were 39 ± 17 sr, 30 ± 12 sr, and 38 ± 18 sr for the AC, PO, and SA sectors, respectively. The Sp results suggested that aerosols from the AC sector contained dust and anthropogenic particles, and aerosols from the PO sector were most likely sea salts. We further combined the EPA dust event database and backward trajectory analysis for type 2. Results showed that Sp was 41 ± 14 sr and 53 ± 21 sr for dust storm and biomass-burning events, respectively. The Sp for biomass-burning events in type 2 showed two peaks patterns. The first peak occurred within range of 30–50 sr corresponding to urban pollutant, and the second peak occurred within range of 60–80 sr in relation to biomass burning. Finally, our study summarized the Sp values for four major aerosol types over northern Taiwan, viz., urban (42 ± 18 sr), dust (34 ± 6 sr), biomass-burning (69 ± 12 sr), and oceanic (30 ± 12 sr). Our findings provide useful references for aerosol classification and air pollution identification over the western North Pacific.

Sheng-Hsiang Wang↗
DOE OSTI2025

NEAR: Neural Embeddings for Amino acid Relationships

Protein language models (PLMs) have recently demonstrated potential to supplant classical protein database search methods based on sequence alignment, but are slower than common alignment-based tools and appear to be prone to a high rate of false labeling. Here, we present NEAR, a method based on neural representation learning that is designed to improve both speed and accuracy of search for likely homologs in a large protein sequence database. NEAR’s ResNet embedding model is trained using contrastive learning guided by trusted sequence alignments. It computes per-residue embeddings for target and query protein sequences, and identifies alignment candidates with a pipeline consisting of residue-level k-NN search and a simple neighbor aggregation scheme. Tests on a benchmark consisting of trusted remote homologs and randomly shuffled decoy sequences reveal that NEAR substantially improves accuracy relative to state-of-the-art PLMs, with lower memory requirements and faster embedding and search speed. While these results suggest that the NEAR model may be useful for standalone homology detection with increased sensitivity over standard alignment-based methods, in this manuscript we focus on a more straightforward analysis of the model’s value as a high-speed pre-filter for sensitive annotation. In that context, NEAR is at least 5x faster than the pre-filter currently used in the widely-used profile hidden Markov model (pHMM) search tool HMMER3, and also outperforms the pre-filter used in our fast pHMM tool, nail.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Next-Generation Marine Energy Software Needs Assessment

Over the past decade the marine energy industry has continued to grow and evolve, with new concepts and technologies constantly being pursued. Additionally, the field of computing is vastly different today than it was five or ten years ago. By utilizing advanced software and hardware architectures, like graphics processing units as well as parallelization and high-performance computing resources, software can produce higher quality outputs and a higher volume of outputs. These software and hardware resources can enable the marine energy community to exploit computational advancements from other research fields, which can include machine learning, differentiable programming, and controls co-design. Better integration of existing software and development of potential new software is necessary to take advantage of trends in modern computing and respond to the current and future needs of the marine energy community. In order to better understand the existing marine energy software landscape and industry needs, DOE's Water Power Technologies Office (WPTO) tasked Sandia National Laboratories and the National Renewable Energy Laboratory to update the needs assessment by identifying existing software gaps and software needs, and assisting WPTO in planning the next wave of marine energy software development. The proposed effort involved cataloguing and analyzing the available data on existing software related to marine energy. The marine energy software landscape has vastly changed in the last ten years. There are now nearly 230 different software packages utilized by the marine energy sector, compared to a decade ago when the Cardinal Engineering survey identified approximately 40 software packages. In 2012, the marine energy software landscape was captured in two tables, whereas the current marine energy software landscape required development of a software database to collect and categorize software.

16 TIDAL AND WAVE POWER↗
DOE OSTI2023

Cost of Fish Exclusion Technologies for Hydropower

This dataset compiles data on the costs of environmental mitigations related to fish exclusion for 35 hydropower projects based on documents obtained from the U.S Federal Energy Regulatory Commission (FERC). Data for all measures and their associated project-specific information, including installed and hydraulic capacities, were manually extracted from environmental impact statements and/or environmental assessment (EIS/EA) documents. All data were consolidated in a comma-separated (.csv) file, referred to as the Cost of Fish Exclusion Technologies for Hydropower Database.

13 HYDRO ENERGY↗
DOE OSTI2021

Land-use harmonization datasets for annual global carbon budgets

Abstract. Land-use change has been the dominant source of anthropogenic carbon emissions for most of the historical period and is currently one of the largest and most uncertain components of the global carbon cycle. Advancing the scientific understanding on this topic requires that the best data be used as input to state-of-the-art models in well-organized scientific assessments. The Land-Use Harmonization 2 dataset (LUH2), previously developed and used as input for simulations of the 6th Coupled Model Intercomparison Project (CMIP6), has been updated annually to provide required input to land models in the annual Global Carbon Budget (GCB) assessments. Here we discuss the methodology for producing these annual LUH2-GCB updates and extensions which incorporate annual wood harvest data updates from the Food and Agriculture Organization (FAO) of the United Nations for dataset years after 2015 and the History Database of the Global Environment (HYDE) gridded cropland and grazing area data updates (based on annual FAO cropland and grazing area data updates) for dataset years after 2012, along with extrapolations to the current year due to a lag of 1 or more years in the FAO data releases. The resulting updated LUH2-GCB datasets have provided global, annual gridded land-use and land-use-change data relating to agricultural expansion, deforestation, wood harvesting, shifting cultivation, regrowth and afforestation, crop rotations, and pasture management and are used by both bookkeeping models and dynamic global vegetation models (DGVMs) for the GCB. For GCB 2019, a more significant update to LUH2 was produced, LUH2-GCB2019 (https://doi.org/10.3334/ORNLDAAC/1851, Chini et al., 2020b), to take advantage of new data inputs that corrected cropland and grazing areas in the globally important region of Brazil as far back as 1950. From 1951 to 2012 the LUH2-GCB2019 dataset begins to diverge from the version of LUH2 used for the World Climate Research Programme's CMIP6, with peak differences in Brazil in the year 2000 for grazing land (difference of 100 000 km2) and in the year 2009 for cropland (difference of 77 000 km2), along with significant sub-national reorganization of agricultural land-use patterns within Brazil. The LUH2-GCB2019 dataset provides the base for future LUH2-GCB updates, including the recent LUH2-GCB2020 dataset, and presents a starting point for operationalizing the creation of these datasets to reduce time lags due to the multiple input dataset and model latencies.

Chini, Louise (ORCID:0000000290703505)↗
NASA NTRS1994

Expert system shell to reason on large amounts of data

The current data base management systems (DBMS's) do not provide a sophisticated environment to develop rule based expert systems applications. Some of the new DBMS's come with some sort of rule mechanism; these are active and deductive database systems. However, both of these are not featured enough to support full implementation based on rules. On the other hand, current expert system shells do not provide any link with external databases. That is, all the data are kept in the system working memory. Such working memory is maintained in main memory. For some applications the reduced size of the available working memory could represent a constraint for the development. Typically these are applications which require reasoning on huge amounts of data. All these data do not fit into the computer main memory. Moreover, in some cases these data can be already available in some database systems and continuously updated while the expert system is running. This paper proposes an architecture which employs knowledge discovering techniques to reduce the amount of data to be stored in the main memory; in this architecture a standard DBMS is coupled with a rule-based language. The data are stored into the DBMS. An interface between the two systems is responsible for inducing knowledge from the set of relations. Such induced knowledge is then transferred to the rule-based language working memory.

Giuffrida, Gionanni↗
DOE OSTI2026

Gradient-informed Hamiltonian Monte Carlo for multicomponent CALPHAD model optimization and uncertainty quantification

CALPHAD model parameter optimization is inherently challenging due to non-smooth objective functions, high-dimensional parameter spaces, and the need for uncertainty quantification (UQ). Traditional weighted nonlinear least squares approaches are computationally efficient but local, whereas black-box global optimizers and ensemble Markov Chain Monte Carlo (MCMC) methods provide broader exploration at substantial computational cost. The objective of this work is to combine the global exploration capability of gradient-informed Hamiltonian Monte Carlo – specifically the No-U-Turn Sampler (NUTS) – with local deterministic refinement using BFGS to efficiently optimize multicomponent CALPHAD models with minimal manual intervention. Analytic gradients are computed via the Jansson derivative framework. The methodology is demonstrated on the Cr—Fe binary system and extended to the Cr—Fe—Ni ternary system with 32 degrees of freedom. For Cr—Fe, NUTS achieves comparable or superior optimality relative to ensemble MCMC while requiring over an order-of-magnitude fewer likelihood evaluations. Parameter uncertainties are quantified through NUTS sampling and propagated to thermodynamic observables using local expansion, demonstrating a novel modular approach that combines binary and ternary parameter subsets without requiring global relaxation. These results establish gradient-informed exploration as a scalable strategy for multicomponent CALPHAD optimization and provide a practical route towards efficient higher-order database development with quantified uncertainty.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Efficient computational design of two-dimensional van der Waals heterostructures: Band alignment, lattice mismatch, and machine learning

Here, we develop a computational database, website applications (web-apps), and machine-learning (ML) models to accelerate the design and discovery of two-dimensional (2D) heterostructures. Using density functional theory (DFT) based lattice parameters and electronic band energies for 674 nonmetallic exfoliable 2D materials, we generate 226 779 possible bilayer heterostructures. We classify these heterostructures into type-I, -II, and -III systems according to Anderson’s rule, which is based on the relative band alignments of the noninteracting monolayers. We find that type II is the most common and type III the least common heterostructure type. We subsequently analyze the chemical trends for each heterostructure type in terms of the Periodic Table of constituent elements. The band alignment data can also be used for identifying photocatalysts and high-work-function 2D metals for contacts. We validate our results by comparing them to experimental data as well as hybrid-functional predictions. Additionally, we carry out DFT calculations of a few selected systems (MoS 2 /WSe 2 , MoS 2 /h-BN, and MoSe 2 /CrI 3 ), to compare the band-alignment description with the predictions from Anderson’s rule. We develop web-apps to enable users to virtually create combinations of 2D materials and predict their properties. Additionally, we use ML tools to predict band-alignment information for 2D materials. The web-apps, tools, and associated data will be distributed through the JARVIS-HETEROSTRUCTURE website. Our analysis, results, and the developed web-apps can be applied to the screening and design applications, such as finding alternative photocatalysts, photodetectors, and high-work-function (WF) 2D-metal contacts.

2-dimensional systems↗
DOE OSTI2023

An invertible seven-dimensional Dirichlet cell characterization of lattices

Characterization of crystallographic lattices is an important tool in structure solution, crystallographic database searches and clustering of diffraction images in serial crystallography. Characterization of lattices by Niggli-reduced cells (based on the three shortest non-coplanar lattice vectors) or by Delaunay-reduced cells (based on four non-coplanar vectors summing to zero and all meeting at obtuse or right angles) is commonly performed. The Niggli cell derives from Minkowski reduction. The Delaunay cell derives from Selling reduction. All are related to the Wigner–Seitz (or Dirichlet, or Voronoi) cell of the lattice, which consists of the points at least as close to a chosen lattice point as they are to any other lattice point. The three non-coplanar lattice vectors chosen are here called the Niggli-reduced cell edges. Starting from a Niggli-reduced cell, the Dirichlet cell is characterized by the planes determined by 13 lattice half-edges: the midpoints of the three Niggli cell edges, the six Niggli cell face-diagonals and the four body-diagonals, but seven of the lengths are sufficient: three edge lengths, the three shorter of each pair of face-diagonal lengths, and the shortest body-diagonal length. These seven are sufficient to recover the Niggli-reduced cell.

Chemistry↗
DOE OSTI2022

The Preprocessing of Galaxies in the Early Stages of Cluster Formation in Abell 1882 at z = 0.139

A rare opportunity to distinguish between internal and environmental effects on galaxy evolution is afforded by "SuperGroups," systems that are rich and massive, but include several comparably rich substructures, surrounded by filaments. We present here a multiwavelength photometric and spectroscopic study of the galaxy population in the SuperGroup Abell 1882 (A1882) at z = 0.139, combining new data from the MMT and Hectospec with archival results from the Galaxy And Mass Assembly survey, the Sloan Digital Sky Survey, the Nasa/IPAC Extragalactic Database, the Gemini Multi-Object Spectrograph, and the Galaxy Evolution Explorer. These provide spectroscopic classifications for 526 member galaxies, across wide ranges of local density and velocity dispersion. We identify three prominent filaments along which galaxies seem to be entering the SuperGroup (mostly in E–W directions). A1882 has a well-populated red sequence, containing most galaxies with stellar mass >10 10.5 M Sun , and a pronounced color–density relation even within its substructures. Thus, galaxy evolution responds to the external environment as strongly in these unrelaxed systems as we find in rich and relaxed clusters. From these data, local density remains the primary factor, with a secondary role for distance from the inferred center of the entire structure's potential well. The effects on star formation, as traced by optical and near-UV colors, depend on galaxy mass. We see changes in lower-mass galaxies (M < 10 10.5 M Sun ) at four times the virial radius of major substructures, while the more massive near-UV Green Valley galaxies show low levels of star formation within two virial radii. The suppression of star formation ("quenching") occurs in the infall regions of these structures even before the galaxies enter the denser group environment.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2016

Aging Will Amplify the Heat-Related Mortality Risk Under a Changing Climate: Projection for the Elderly in Beijing, China

An aging population could substantially enhance the burden of heat-related health risks in a warming climate because of their higher susceptibility to extreme heat health effects. Here, we project heatrelated mortality for adults 65 years and older in Beijing China across 31 downscaled climate models and 2 representative concentration pathways (RCPs) in the 2020s, 2050s, and 2080s. Under a scenario of medium population and RCP8.5, by the 2080s, Beijing is projected to experience 14,401 heat-related deaths per year for elderly individuals, which is a 264.9% increase compared with the 1980s. These impacts could be moderated through adaptation. In the 2080s, even with the 30% and 50% adaptation rate assumed in our study, the increase in heat-related death is approximately 7.4 times and 1.3 times larger than in the 1980s respectively under a scenario of high population and RCP8.5. These findings could assist countries in establishing public health intervention policies for the dual problems of climate change and aging population. Examples could include ensuring facilities with large elderly populations are protected from extreme heat (for example through back-up power supplies and/or passive cooling) and using databases and community networks to ensure the home-bound elderly are safe during extreme heat events.

age factor↗