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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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DOE OSTI2022

Determining the hydronium pKα at platinum surfaces and the effect on pH-dependent hydrogen evolution reaction kinetics

Electrocatalytic hydrogen evolution reaction (HER) is critical for green hydrogen generation and exhibits distinct pH-dependent kinetics that have been elusive to understand. A molecular-level understanding of the electrochemical interfaces is essential for developing more efficient electrochemical processes. Here we exploit an exclusively surface-specific electrical transport spectroscopy (ETS) approach to probe the Pt-surface water protonation status and experimentally determine the surface hydronium pK a = 4.3. Quantum mechanics (QM) and reactive dynamics using a reactive force field (ReaxFF) molecular dynamics (RMD) calculations confirm the enrichment of hydroniums (H 3 O + * ) near Pt surface and predict a surface hydronium pK a of 2.5 to 4.4, corroborating the experimental results. Importantly, the observed Pt-surface hydronium pK a correlates well with the pH-dependent HER kinetics, with the protonated surface state at lower pH favoring fast Tafel kinetics with a Tafel slope of 30 mV per decade and the deprotonated surface state at higher pH following Volmer-step limited kinetics with a much higher Tafel slope of 120 mV per decade, offering a robust and precise interpretation of the pH-dependent HER kinetics. These insights may help design improved electrocatalysts for renewable energy conversion.

Zhong, Guangyan↗

DOE OSTI2021

Solid-Binding Proteins: Bridging Synthesis, Assembly, and Function in Hybrid and Hierarchical Materials Fabrication

There is considerable interest in the development of hybrid organic–inorganic materials because of the potential for harvesting the unique capabilities that each system has to offer. Proteins are an especially attractive organic component owing to the high amount of chemical information encoded in their amino acid sequence, their amenability to molecular and computational (re)design, and the many structures and functions they specify. Genetic installation of solid-binding peptides (SBPs) within protein frameworks affords control over the position and orientation of adhesive and morphogenetic segments, and a path toward predictive synthesis and assembly of functional materials and devices, all while harnessing the built-in properties of the host scaffold. Furthermore, we review the current understanding of the mechanisms through which SBPs bind to technologically relevant interfaces, with an emphasis on the variables that influence the process, and highlight the last decade of progress in the use of solid-binding proteins for hybrid and hierarchical materials synthesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Crowdsourcing Global Perspectives in Ecology Using Social Media

Transparent, open, and reproducible research is still far from routine, and the full potential of open science has not yet been realized. Crowdsourcing–defined as the usage of a flexible open call to a heterogeneous group of individuals to recruit volunteers for a task –is an emerging scientific model that encourages larger and more outwardly transparent collaborations. While crowdsourcing, particularly through citizen- or community-based science, has been increasing over the last decade in ecological research, it remains infrequently used as a means of generating scientific knowledge in comparison to more traditional approaches. We explored a new implementation of crowdsourcing by using an open call on social media to assess its utility to address fundamental ecological questions. We specifically focused on pervasive challenges in predicting, mitigating, and understanding the consequences of disturbances. In this paper, we briefly review open science concepts and their benefits, and then focus on the new methods we used to generate a scientific publication. We share our approach, lessons learned, and potential pathways forward for expanding open science. Our model is based on the beliefs that social media can be a powerful tool for idea generation and that open collaborative writing processes can enhance scientific outcomes. We structured the project in five phases: (1) draft idea generation, (2) leadership team recruitment and project development, (3) open collaborator recruitment via social media, (4) iterative paper development, and (5) final editing, authorship assignment, and submission by the leadership team. We observed benefits including: facilitating connections between unusual networks of scientists, providing opportunities for early career and underrepresented groups of scientists, and rapid knowledge exchange that generated multidisciplinary ideas. We also identified areas for improvement, highlighting biases in the individuals that self-selected participation and acknowledging remaining barriers to contributing new or incompletely formed ideas into a public document. While shifting scientific paradigms to completely open science is a long-term process, our hope in publishing this work is to encourage others to build upon and improve our efforts in new and creative ways.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1999

A Cutoff in the X-Ray Fluctuation Power Density Spectrum of the Seyfert 1 Galaxy NGC 3516

During 1997 March-July, RXTE observed the bright, strongly variable Seyfert 1 galaxy NGC 3516 once every approx. 12.8 hr for 4.5 months and nearly continuously (with interruptions due to SAA passage but not Earth occultation) for a 4.2 day period in the middle. These were followed by ongoing monitoring once every approx. 4.3 days. These data are used to construct the first well-determined X-ray fluctuation power density spectrum (PDS) of an active galaxy to span more than 4 decades of usable temporal frequency. The PDS shows no signs of any strict or quasi-periodicity, but does show a progressive flattening of the power-low slope from -1.74 at short time scales to -0.73 at longer time scales. This is the clearest observation to date of the long-predicted cutoff in the PDS. The characteristic variability time scale corresponding to this cutoff temporal frequency is approx. 1 month. Although it is unclear how this time scale may be interpreted in terms of a physical size or process, there are several promising candidate models. The PDS appears similar to those seen for Galactic black hole candidates such as Cyg X-1, suggesting that these two classes of objects with very different luminosities and putative black hole masses (differing by more than a factor of 10(exp 5)) may have similar X-ray generation processes and structures.

Edelson, Rick↗

NASA NTRS2013

Compositions of the Surfaces of Pluto and its Satellites

The information we have on the chemical compositions of the surfaces of Pluto and Charon has been obtained from Earth-based near-infrared spectroscopy. These bodies are seen in diffusely scattered sunlight upon which absorption bands diagnostic of specific ices are superimposed. Identified so far on Pluto are molecular nitrogen (N2), methane (CH4), carbon monoxide (CO), and ethane (C2H6), all in the frozen state. Charon has the clear spectral signature of H2O ice in the crystalline phase, plus an absorption band near 2.2 microns identified as a hydrated form of NH3. No diagnostic spectra of Pluto's other satellites are currently available. A fraction of Pluto's CH4 is dissolved in solid N2, which is in the hexagonal beta-phase. When a small concentration of CH4 exists in a N2 crystalline matrix, its absorption bands are shifted in wavelength by a small but detectable amount. Indeed the shifting of the CH4 bands is diagnostic of a host matrix. In the case of Pluto, the N2 band (2.148 microns) itself is detected, but for other trans-Neptunian objects where the N2 band cannot be seen, the shifted CH4 bands demonstrate the presence of N2 or (less likely) some other spectrally neutral and transparent matrix material (e.g., Ar). The absence of detectable CO2 and H2O ices on Pluto, while they are clearly present on the otherwise very similar Triton, is noteworthy. The ices of Pluto distributed non-uniformly across its surface, and the distribution shows long-term (decadal) changes. Both seasonal and secular changes may be occurring through transport across the surface as a result of changing temperature, and by seasonal changes in the vapor pressure equilibrium of the ice with the tenuous and variable atmosphere. Models of the photochemistry of the surface ices and the atmosphere of Pluto predict the presence of several materials not yet detected; the most abundant photoproducts are expected to be C2H2, C4H2, HCN, C2H6; HCN has been detected on Triton. Both Pluto and Charon have surface components in addition to the detected ices. These materials of presently unknown composition serve to reduce the albedos of both bodies below that expected for pure ices, and in the case of Pluto impart a yellow-brown coloration; the color of Charon is more nearly neutral. It is generally thought that the non-ice components are more refractory than the ices and that they may be complex carbonaceous materials derived from the ultraviolet and charged particle processing of the surface ices. Minerals are also plausible candidates for the non-ice fraction. The refractory colored components may constitute bedrock upon which variable amounts of the ices are alternately deposited and evaporated as the seasons change. Water ice is expected to be a component of the bedrock, although it has not yet been reliably identified.

Pluto↗

DOE OSTI2021

Monitoring Degradation of Nuclear Cable Insulation Subjected To Sequential and Simultaneous Thermal and Radiation Aging

Predicting useful remaining life of cables in nuclear power plants is a topic of growing interest as plant continue to age. A typical electrical cable consists of polymeric materials, such as the cable jacket and insulation, which are susceptible to degradation due to exposure to both elevated temperatures and gamma irradiation over decades of service. In this work two insulation materials, crosslinked polyethylene (XLPE) and ethylene propylene diene (EPDM) elastomer, were characterized to quantify aging using total color difference and indenter modulus. Since the effects of thermal and gamma radiation are not additive but coupled, the effects of different aging scenarios including sequential and simultaneous aging were also evaluated. In the case of sequential aging, two aging scenarios were explored where the order in which thermal and gamma radiation received were altered. Total color difference of XLPE showed that sequentially aged insulation specimens, which received radiation first, degraded slightly more at maximum exposure than specimens which received thermal first. Similarly, in the case of EPDM, the extent of degradation evaluated using total color difference was found to be most severe in the case of sequentially aged insulation specimens which received radiation first. Indenter modulus was found to be insensitive to aging for XLPE but trended for EPDM. The largest variations were observed for the sequentially aged insulation specimens which received radiation first, similar to what was observed for total color difference.

Pallaka, Madhusudhan Reddy↗

DOE OSTI2023

Development, calibration, and validation of a novel gray-box energy model for residential split air conditioners

Energy models for vapor compression refrigeration in residential air conditioners have been developed through white-box, gray-box, and black-box methods in decades. However, existing white-box and gray-box models require complicated equations with detailed geometries while black-box models require substantial experimental data. Further, this paper aims to develop and validate a simple gray-box steady-state energy model without the need for detailed geometries, which can accurately predict the cooling capacity and electrical power input based on outdoor and indoor air conditions, and supply airflow rates. First three state variables, including the evaporation and condensation temperatures, and refrigerant mass flowrate, are applied to develop the energy model and are solved by three physical equations, including the energy conservations at the evaporator and condenser, and the refrigerant volume-mass flow correlation of the compressor. Secondly, seven performance property functions related to three state variables and three physical equations are identified and calibrated by simple temperature and power measurements. Finally, field experiments are conducted on a residential air conditioner to calibrate these performance property functions and validate the developed model. The validated results reveal the model can accurately predict the cooling capacity and electrical power input, with the normalized root mean square errors of 2.3% and 0.87% respectively.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2020

The impacts of Extra-tropical ENSO Precursors on Tropical Pacific Decadal-scale Variability

Abstract Off-equatorial wind anomalies on seasonal timescales from both the North and South Pacific, known as “precursors” of the El Niño Southern Oscillation (ENSO), have been shown to independently trigger the ENSO feedbacks in the tropics and its teleconnections to the extra-tropics. However, the impacts of ENSO precursors on Tropical Pacific Decadal-scale Variability (TPDV) is still not well understood and quantified. We show that the dynamic sequence from extra-tropical ENSO precursors to ENSO (tropics) to extra-tropical ENSO teleconnections is not only important for ENSO, but acts as a primary mechanism to filter (e.g. reddening) the low-frequency variability of the seasonal precursors into the decadal-scale variance of the Pacific basin, accounting for the largest fraction of the TPDV (~65%) and its phase. This process, which contrasts previous theories advocating for a TPDV generated internally in the tropics (e.g. ENSO residuals), is inherently unpredictable and not well reproduced in climate models and raises challenges for understanding and predicting the role of internal TPDV in future climate change scenarios.

Zhao, Yingying↗

DOE OSTI2020

Impact of spatiotemporal smoothing on the two-plasmon–decay instability

Higher levels of hot electrons from the two-plasmon–decay instability are observed when smoothing by spectral dispersion (SSD) is turned off in directly driven inertial confinement fusion experiments at the Omega Laser Facility. This finding is explained using a hot-spot model based on speckle statistics and simulation results from the laser–plasma simulation environment. The model accurately reproduces the relative increase in hot-electron activity at two different drive intensities, although it slightly overestimates the absolute number of hot electrons in all cases. Extrapolating from the current ≈ 360-GHz system while adhering to the logic of the hot-spot model suggests that larger SSD bandwidth should significantly mitigate hot-electron generation, and legacy 1-THz OMEGA experiments appear to support this conclusion. These results demonstrate that it is essential to account for laser speckles and spatiotemporal smoothing to obtain quantitative agreement with experiments. A compilation of hot-electron data from the past two decades reveals several other important points: (1) many prior experiments are more easily understood using recent results from multibeam absolute instability theory; and (2) experiments with ignition-scale conditions produce less hot electrons compared to OMEGA spherical experiments for a given vacuum overlapped intensity, which is a promising result for validating performance predictions based on hydrodynamic scaling relations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1999

Modelling Hard Gamma-Ray Emission from Supernova Remnants

The observation by the CANGAROO (Collaboration of Australia and Nippon Gamma Ray Observatory at Outback) experiment of TeV emission from SN 1006, in conjunction with several instances of non-thermal X-ray emission from supernova remnants, has led to inferences of super-TeV electrons in these extended sources. While this is sufficient to propel the theoretical community in their modelling of particle acceleration and associated radiation, the anticipated emergence in the next decade of a number of new experiments probing the TeV and sub-TeV bands provides further substantial motivation for modellers. In particular, the quest for obtaining unambiguous gamma-ray signatures of cosmic ray ion acceleration defines a "Holy Grail" for observers and theorists alike. This review summarizes theoretical developments in the prediction of MeV-TeV gamma-rays from supernova remnants over the last five years, focusing on how global properties of models can impact, and be impacted by, hard gamma-ray observational programs, thereby probing the supernova remnant environment. Properties of central consideration include the maximum energy of accelerated particles, the density of the unshocked interstellar medium, the ambient magnetic field, and the relativistic electron-to-proton ratio. Criteria for determining good candidate remnants for observability in the TeV band are identified.

Baring, Matthew G.↗

NASA NTRS2000

Modelling Hard Gamma-Ray Emission from Supernova Remnants

The observation by the CANGAROO experiment of TeV emission from SN 1006, in conjunction with several instances of non-thermal X-ray emission from supernova remnants, has led to inferences of super-TeV electrons in these extended sources. While this is sufficient to propel the theoretical community in their modelling of particle acceleration and associated radiation, the anticipated emergence in the next decade of a number of new experiments probing the TeV and sub-TeV bands provides further substantial motivation for modellers. In particular, the quest for obtaining unambiguous gamma-ray signatures of cosmic ray ion acceleration defines a "Holy Grail" for observers and theorists alike. This review summarizes theoretical developments in the prediction of MeV-TeV gamma-rays from supernova remnants over the last five years, focusing on how global properties of models can impact, and be impacted by, hard gamma-ray observational programs, thereby probing the supernova remnant environment. Properties of central consideration include the maximum energy of accelerated particles, the density of the unshocked interstellar medium, the ambient magnetic field, and the relativistic electron-to-proton ratio. Criteria for determining good candidate remnants for observability in the TeV band are identified.

Baring, Matthew↗

NASA NTRS2002

Dynamical Evolution of Planetary Embryos

During the past decade, progress has been made by relating the 'standard model' for the formation of planetary systems to computational and observational advances. A significant contribution to this has been provided by this grant. The consequence of this is that the rigor of the physical modeling has improved considerably. This has identified discrepancies between the predictions of the standard model and recent observations of extrasolar planets. In some cases, the discrepancies can be resolved by recognition of the stochastic nature of the planetary formation process, leading to variations in the final state of a planetary system. In other cases, it seems more likely that there are major deficiencies in the standard model, requiring our identifying variations to the model that are not so strongly constrained to our Solar System.

Wetherill, George W.↗

NASA NTRS2004

Analysis of the Spread Across Liquid-5 (SAL-5) Experiment Failure to Fill Properly During Flight

When a pool of flammable liquid is ignited, the flame spread rate can vary widely depending on the initial fuel temperature, pool geometry, ambient atmospheric conditions, and gravitational level. There is substantial decades-old debate in the scientific literature about the role of gravity in these phenomena. The objective of the research was to measure ignition and flame spread across liquid pools in both normal and microgravity with and without forced airflow, and to obtain detailed thermal and velocity field data for comparison to a predictive numerical model that is concurrently being developed. To that end, an experiment known as Spread Across Liquids 5 (SAL 5) was designed to be conducted in a low-gravity environment on a sounding rocket. Unfortunately, during the sounding rocket flight the fuel tray for the experiment failed to fill properly prior to ignition. The primary cause of the failure to fill properly is the geometry of the fuel tray; that is, the presence of the gaps on the side walls and the sharp edge around the thermocouple through-holes. The contamination resulting from the cleaning process is a strong secondary factor which would have prevented proper, timely filling had the primary cause not been present.

Allen, Jeffrey Stuart↗

NASA NTRS2016

NASA's Aerosol Sampling Experiment Summary

In a spacecraft cabin environment, the size range of indoor aerosols is much larger and they persist longer than on Earth because they are not removed by gravitational settling. A previous aerosol experiment in 1991 documented that over 90 of the mass concentration of particles in the NASA Space Shuttle air were between 10 m and 100 m based on measurements with a multi-stage virtual impactor and a nephelometer (Liu et al. 1991). While the now-retired Space Shuttle had short duration missions (less than two weeks), the International Space Station (ISS) has been continually inhabited by astronauts for over a decade. High concentrations of inhalable particles on ISS are potentially responsible for crew complaints of respiratory and eye irritation and comments about 'dusty' air. Air filtration is the current control strategy for airborne particles on the ISS, and filtration modeling, performed for engineering and design validation of the air revitalization system in ISS, predicted that PM requirements would be met. However, aerosol monitoring has never been performed on the ISS to verify PM levels. A flight experiment is in preparation which will provide data on particulate matter in ISS ambient air. Particles will be collected with a thermophoretic sampler as well as with passive samplers which will extend the particle size range of sampling. Samples will be returned to Earth for chemical and microscopic analyses, providing the first aerosol data for ISS ambient air.

Thermophoretic sampler↗

NASA NTRS2016

Sampling Indoor Aerosols on the International Space Station

Thermophoretic sampler↗

NASA NTRSDate not supplied

TPSAS-NF1676L-19005-DND

Science is an economic investment by the public. We will be managing Earth’s climate until civilization moves elsewhere. We currently have no national or international climate observing system, nor a plan to create one. Should we invest in one? Is it worth it? What is the economic value of an advanced climate observing system? How would you estimate it? We have a few traceable estimates of the economic value of weather prediction for severe storms, hurricanes, floods and droughts. Climate scientists often say that the results from their research “will inform societal decisions with trillion dollar impacts”. But is this statement verified and traceable in any way? How could we quantify an economic value to climate science? Recall that climate change science value exists decades into the future. Its value has to be treated as a risk/benefit economic analysis. A rigorous analysis must take into account the uncertainties in climate science, economic impacts, and policy (see Figure 1 below).

Bruce A Wielicki↗

DOE OSTI2023

Probing The Longest Dark Matter Lifetimes with the Line Emission Mapper

In the next decade, the proposed Line Emission Mapper (LEM) telescope concept is poised to revolutionize Galactic and extragalactic X-ray sensitivity. The instruments aboard LEM feature unprecedented eV scale energy resolution and an effective area of 1600 cm$^2$ at 0.5 keV. Such features are ideally suited to explore decaying dark matter candidates that predict X-ray signals, including axion-like particles and sterile neutrinos. We present the first forecast of LEM sensitivity to dark matter decays and find sensitivity to lifetimes beyond $\sim 10^{32}$ s in the keV range, surpassing current limits by several orders of magnitude. Notably, our results show that LEM will be the first ever instrument to probe such long dark matter lifetimes in any mass range for any decay channel.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Becoming a 10: A Closer Look at the U.S. Department of Energy Home Energy Score's Updates, Improvements, and Expansion

The U.S. Department of Energy (DOE)'s Home Energy Score provides homeowners, buyers, and renters directly comparable and credible information about a home's estimated energy use and costs. Certified Qualified Assessors conduct low-cost assessments to provide each home a 1-10 score alongside a set of cost-effective upgrades to improve the score. As of February 2022, hundreds of assessors have delivered over 175,000 scores to homes across the country. Originally released in 2012 using DOE2.1e as the modeling backend, after years of effort, a new version of Home Energy Score was released in 2021 utilizing DOE's flagship energy modeling software, EnergyPlus. The updated architecture leverages modeling advancements and enables new building technologies to be added to the Scoring Tool. The new release represents a leap forward in harmonizing modeling assumptions across DOE and industry programs. In this paper we discuss the rigorous approach to model comparison with DOE2 undertaken prior to the update, utilizing test homes and real homes from the Home Energy Score database to strike a balance between consistency and more accurate energy predictions. We also discuss additional new capabilities, including improvements made to the upgrade recommendations methodology, the inclusion of an energy cost estimate metric based on ResStock analysis for use in home appraisals, and improved data analysis for quality assurance. Finally, we look at the impact Home Energy Score has had over the last decade and its future potential as its uptake in state energy plans, local ordinances, utility programs, and real estate data continues to grow.

building energy modeling↗