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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

WaterTAP-REFLO models of Solar Still, Solar Still ZLD, Enhanced Evaporation pond results for baseline analysis

This folder contains results from models that were adapted into WaterTAP-REFLO. The files contain inputs and outputs for solar still, solar still ZLD, and enhanced evaporation pond unit process models for 4 different locations in the USA: Phoenix, Miami, Houston, and Baltimore. The WaterTAP-REFLO implementation may be different and thus may have different results. The data structure and content are described in a ReadMe.txt file. For WaterTAP-REFLO documentation and/or contact the developers please see: https://github.com/watertap-org/watertap-reflo.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

Synthesis of Sandwich-α-Diimine Ligands via Copper-Mediated Stille Coupling

While sandwich diimines have found use in transition metal catalysis, the general method for their preparation has been lacking. Here, this approach utilizes a copper-mediated Stille-type coupling between aryl stannanes and α-diimines bearing 8-bromonaphthylimino group in commercial-grade N,N-dimethylformamide solvent and employs CuI or thiophene-2-carboxylate to promote the reactions. No other additives or bases are required. Electron-poor, electron-rich, heterocyclic, and hindered aryl stannanes can be employed as coupling reagents. Ligand scaffolds derived from structurally diverse α-diketones can be used.

Catalysts↗
DOE OSTI2025

Are humans still necessary? Expanding the discussion

The rise of automation, artificial intelligence (AI), and autonomous systems raises important questions about the future role of humans and the field of human factors/ergonomics in workplaces. This paper builds on Dr. Peter Hancock’s 2023 ‘Are Humans Still Necessary?’ article published in the Ergonomics journal. Using a multi-method approach that included a debate, opinion polling, roundtable discussions, and AI queries, the current effort examined the necessity of human involvement in future work environments. Debate team members presented arguments for and against the need for human workers, considering human factors, technology, and socioeconomic factors. Observations indicate that while AI may handle routine tasks, humans will likely remain essential for complex decision making, creativity, and ethical considerations. The paper advocates for viewing workplace dynamics as collaborative human-AI partnerships rather than competition, highlighting the need for a transdisciplinary approach in which human factors/ergonomics professionals play a vital role in enhancing these relationships.

99 - GENERAL AND MISCELLANEOUS↗
DOE OSTI2023

Why are we still here 80 years later?

The Lab helped end World War II in 1945, but could the Lab survive peace? Join Senior Lab Historian Alan Carr and Historian Nic Lewis as they present “Why we’re still in Business,” examining the role of the Lab once World War II had ended. This presentation, which commemorates the Lab’s 80th anniversary, Carr and Lewis reconsider the popular belief that the Lab nearly ceased to exist after having developed the atomic bombs that helped end war.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

General circulation models simulate negative liquid water path–droplet number correlations, but anthropogenic aerosols still increase simulated liquid water path

General circulation models' (GCMs) estimates of the liquid water path adjustment to anthropogenic aerosol emissions differ in sign from other lines of evidence. This reduces confidence in estimates of the effective radiative forcing of the climate by aerosol–cloud interactions (ERFaci). The discrepancy is thought to stem in part from GCMs' inability to represent the turbulence–microphysics interactions in cloud-top entrainment, a mechanism that leads to a reduction in liquid water in response to an anthropogenic increase in aerosols. In the real atmosphere, enhanced cloud-top entrainment is thought to be the dominant adjustment mechanism for liquid water path, weakening the overall ERFaci. We show that the latest generation of GCMs includes models that produce a negative correlation between the present-day cloud droplet number and liquid water path, a key piece of observational evidence supporting liquid water path reduction by anthropogenic aerosols and one that earlier-generation GCMs could not reproduce. However, even in GCMs with this negative correlation, the increase in anthropogenic aerosols from preindustrial to present-day values still leads to an increase in the simulated liquid water path due to the parameterized precipitation suppression mechanism. This adds to the evidence that correlations in the present-day climate are not necessarily causal. We investigate sources of confounding to explain the noncausal correlation between liquid water path and droplet number. These results are a reminder that assessments of climate parameters based on multiple lines of evidence must carefully consider the complementary strengths of different lines when the lines disagree.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Beyond integration: modeling every pixel to obtain better structure factors from stills

Most crystallographic data processing methods use pixel integration. In serial femtosecond crystallography (SFX), the intricate interaction between the reciprocal lattice point and the Ewald sphere is integrated out by averaging symmetrically equivalent observations recorded across a large number (10 4 -10 6 ) of exposures. Although sufficient for generating biological insights, this approach converges slowly, and using it to accurately measure anomalous differences has proved difficult. This report presents a novel approach for increasing the accuracy of structure factors obtained from SFX data. A physical model describing all observed pixels is defined to a degree of complexity such that it can decouple the various contributions to the pixel intensities. Model dependencies include lattice orientation, unit-cell dimensions, mosaic structure, incident photon spectra and structure factor amplitudes. Maximum likelihood estimation is used to optimize all model parameters. The application of prior knowledge that structure factor amplitudes are positive quantities is included in the form of a reparameterization. The method is tested using a synthesized SFX dataset of ytterbium(III) lysozyme, where each X-ray laser pulse energy is centered at 9034 eV. This energy is 100 eV above the Yb 3+ L -III absorption edge, so the anomalous difference signal is stable at 10 electrons despite the inherent energy jitter of each femtosecond X-ray laser pulse. This work demonstrates that this approach allows the determination of anomalous structure factors with very high accuracy while requiring an order-of-magnitude fewer shots than conventional integration-based methods would require to achieve similar results.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Your Clean Graphene is Still Not Clean

Researchers working with thin samples, such as monolayer graphene, are consistently struggling against contamination. Indeed, the problem of hydrocarbon contamination is known from the earliest days of electron microscopy and efforts to reduce this problem are ubiquitous to almost all high-vacuum experiments. Accurate knowledge of the behavior of such contamination is essential for electron beam (e-beam) based atomic fabrication, where it is aspired to select and control matter on an atom-by-atom basis. Here, the vexing question of hydrocarbon contamination on graphene is taken up. Image intensity is used to directly reveal the presence of diffusing hydrocarbons on ostensibly clean graphene. These diffusing hydrocarbons are previously inferred but not directly observed. Surprising dynamic variations of the concentration of these hydrocarbons impels questions about their origin. Here, some possible explanations are presented and some tentative conclusions are drawn. This work updates the conceptual model of “clean graphene” and offers refinements to the description of e-beam induced hydrocarbon deposition.

atomic fabrication↗
DOE OSTI2022

Why is it still too warm or cold in my house? Examining the relationships between energy efficient capital and household energy insecurity

Here, this paper examines the relationships between energy efficient (EE) capital technology and household energy insecurity in the United States. The theoretical model of these relationships employs household production theory to capture the demand for and production of household energy services, and a stochastic production frontier approach to describe how having access to and the usage intensity of EE capital technology could help alleviate inefficiency in the production of household energy services. A working hypothesis formulated from the theoretical model posits that having EE capital technology in the home will reduce the level of household energy insecurity experienced. The extent of energy insecurity experienced is inferred from an energy insecurity index value assigned to each household, generated via the application of a dichotomous Rasch model to questions contained in the 2015 Residential Energy Consumption Survey. Noting the potential simultaneous relationship that exists between a household having access to and the usage intensity of EE capital technology and the experience of being energy insecure, an instrumental variables approach was employed to estimate a series of ordered logit models. Results suggest access to EE capital technology in the form of Energy Star® appliances, Energy Star® windows, or a SMART thermostat does not reduce the probability of experiencing a greater level of energy insecurity. Nor does the usage intensity of EE capital. Thus, policy instruments designed to alleviate household energy insecurity may need to go beyond simply helping households obtain EE capital technology.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Why are we still using 3D masses for cluster cosmology?

ABSTRACT The abundance of clusters of galaxies is highly sensitive to the late-time evolution of the matter distribution, since clusters form at the highest density peaks. However, the 3D cluster mass cannot be inferred without deprojecting the observations, introducing model-dependent biases and uncertainties due to the mismatch between the assumed and the true cluster density profile and the neglected matter along the sightline. Since projected aperture masses can be measured directly in simulations and observationally through weak lensing, we argue that they are better suited for cluster cosmology. Using the Mira–Titan suite of gravity-only simulations, we show that aperture masses correlate strongly with 3D halo masses, albeit with large intrinsic scatter due to the varying matter distribution along the sightline. Nonetheless, aperture masses can be measured ≈2–3 times more precisely from observations, since they do not require assumptions about the density profile and are only affected by the shape noise in the weak lensing measurements. We emulate the cosmology dependence of the aperture mass function directly with a Gaussian process. Comparing the cosmology sensitivity of the aperture mass function and the 3D halo mass function for a fixed survey solid angle and redshift interval, we find the aperture mass sensitivity is higher for Ωm and $w_a$, similar for σ8, ns, and $w_0$, and slightly lower for h. With a carefully calibrated aperture mass function emulator, cluster cosmology analyses can use cluster aperture masses directly, reducing the sensitivity to model-dependent mass calibration biases and uncertainties.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

A riboswitch separated from its ribosome-binding site still regulates translation

Abstract Riboswitches regulate downstream gene expression by binding cellular metabolites. Regulation of translation initiation by riboswitches is posited to occur by metabolite-mediated sequestration of the Shine-Dalgarno sequence (SDS), causing bypass by the ribosome. Recently, we solved a co-crystal structure of a prequeuosine1-sensing riboswitch from Carnobacterium antarcticum that binds two metabolites in a single pocket. The structure revealed that the second nucleotide within the gene-regulatory SDS, G34, engages in a crystal contact, obscuring the molecular basis of gene regulation. Here, we report a co-crystal structure wherein C10 pairs with G34. However, molecular dynamics simulations reveal quick dissolution of the pair, which fails to reform. Functional and chemical probing assays inside live bacterial cells corroborate the dispensability of the C10–G34 pair in gene regulation, leading to the hypothesis that the compact pseudoknot fold is sufficient for translation attenuation. Remarkably, the C. antarcticum aptamer retained significant gene-regulatory activity when uncoupled from the SDS using unstructured spacers up to 10 nucleotides away from the riboswitch—akin to steric-blocking employed by sRNAs. Accordingly, our work reveals that the RNA fold regulates translation without SDS sequestration, expanding known riboswitch-mediated gene-regulatory mechanisms. The results infer that riboswitches exist wherein the SDS is not embedded inside a stable fold.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Retrospective analysis of biochemical limitations to photosynthesis in 49 species: C 4 crops appear still adapted to pre‐industrial atmospheric [ CO 2 ]

Abstract Leaf CO 2 uptake ( A ) in C 4 photosynthesis is limited by the maximum apparent rate of PEPc carboxylation ( V pmax ) at low intercellular [CO 2 ] ( c i ) with a sharp transition to a c i ‐saturated rate ( V max ) due to co‐limitation by ribulose‐1:5‐bisphosphate carboxylase/oxygenase (Rubisco) and regeneration of PEP. The response of A to c i has been widely used to determine these two parameters. V max and V pmax depend on different enzymes but draw on a shared pool of leaf resources, such that resource distribution is optimized, and A maximized, when V max and V pmax are co‐limiting. We collected published A / c i curves in 49 C 4 species and assessed variation in photosynthetic traits between phylogenetic groups, and as a function of atmospheric [CO 2 ]. The balance of V max ‐ V pmax varied among evolutionary lineages and C 4 subtypes. Operating A was strongly V max ‐limited, such that re‐allocation of resources from V pmax towards V max was predicted to improve A by 12% in C 4 crops. This would not require additional inputs but rather altered partitioning of existing leaf nutrients, resulting in increased water and nutrient‐use efficiency. Optimal partitioning was achieved only in plants grown at pre‐industrial atmospheric [CO 2 ], suggesting C 4 crops have not adjusted to the rapid increase in atmospheric [CO 2 ] of the past few decades.

Pignon, Charles P.↗
DOE OSTI2026

Phase Picking Beyond Local Distances: Where Waveform Filtering Still Matters for Deep Learning Models

Waveform filtering is a standard step in traditional seismic phase picking but often receives little attention in deep learning workflows, where models are typically trained on raw or minimally processed waveforms. Although this strategy performs well for local events, we show that performance can degrade substantially at regional distances. To address this limitation, we introduce two ways to incorporate multiband-filtered waveforms into deep learning phase pickers. The stacking approach concatenates filtered inputs along the channel dimension, while the branching approach processes each frequency band through a dedicated network branch before feature fusion. Both approaches can substantially improve performance across epicentral distances of 0° to 20°, but their effectiveness depends strongly on the selected frequency bands. Tests with multiple filter banks show that filter-bank design should be treated as part of model optimization rather than as a fixed preprocessing choice. Grad-CAM analysis of the branching model indicates that band importance varies among waveform samples and across training realizations, with only a weak overall preference for the 0.25 to 0.5 Hz band. These results show that no single filter band is consistently optimal and demonstrate that explicit feature engineering remains valuable for robust deep learning-based seismic phase picking.

58 GEOSCIENCES↗
DOE OSTI2020

Simulating Buildings While the Design is Still in the Architect's Imagination

Very early in the design process, prior to drawing a single line, architects get information from their client or prospective client trying to understand the nature and requirements of the building that needs to be designed. The design of the building is completely fluid, as the architect considers many options in their imagination. The overall massing of the building, the general shape and form, are being considered during this early step. Even for a simple box-shaped building, the aspect ratio between the east-west and the north-south dimensions of the building can greatly impact energy consumption due to daylighting availability. The prevailing winds and building orientation can impact natural ventilation. The locations of high and low population density spaces can also impact energy use. Deciding the floor area per office workstation or the size of the auditorium will impact energy use. Does making a building two stories instead of one reduce energy impacts by reducing roof area or does the additional volume for stairs and elevators result in more energy use. Since certain types of spaces require more windows for occupants than others, the locations of those spaces will determine how much glazing each building orientation has impacting daylighting as well as heating and cooling energy. The project was an attempted first step toward creating a system tailored toward architects for this very early stage in the design process to help them understand the energy impacts of design options. The approach was not to be based on drawing the building, and instead, the main inputs would have been the size of each type of space in the building. This report describes information gathered during the development that might be of use to others developing similar software as well as some of the software that was developed during the project. Phase II funding to continue this work was not pursued due to intellectual property issues discovered during the development of the commercialization plan.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Can We Lower the Voltage of a Silicon Module and Still Make It Just as Efficient?

The purpose of this experiment to conserve excess amounts of energy the best I can. I am trying to lower the voltage of a machine that collects data from cosmic particles that travel through it, without greatly affecting the results. By doing this, I am effectively saving energy and also creating a more efficient silicon module.

Mason, Eddie↗