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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Preserving Symmetries for Variational Quantum Eigensolvers in the Presence of Noise

One of the most promising applications of noisy intermediate-scale quantum computers is the simulation of molecular Hamiltonians using the variational quantum eigensolver (VQE). Here, we show that encoding symmetries of the simulated Hamiltonian in the VQE ansatz reduces both classical and quantum resources compared to other widely available ansatze. Through simulations of the H 2 molecule and of a Heisenberg model on a two-dimensional lattice, we verify that these improvements persist in the presence of noise. This is done using both real IBM devices and classical simulations. We also demonstrate how these techniques can be used to find molecular excited states of various symmetries using a noisy processor. We use error-mitigation techniques to further improve the quality of our results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Toxicology and Biodegradability of Tier Three Gasoline Blendstocks: Literature Review of Available Data

This study provides framework for decision makers to more fully evaluate the toxicology and biodegradability of the tier three gasoline blendstocks developed under Co-Optima. These Co-Optima blendstocks were compared to gasoline surrogate compounds, providing guidance for future consideration as the project progresses. Due to the complexity of the subject area, all compounds were considered only in their pure form, not as complex mixtures with gasoline, which was outside the scope of this study. The metrics applied to the blendstocks were environmental transport and fate, environmental and human health toxicity, and environmental regulatory framework. The blendstocks (cyclopentanone; diisobutylene; 2-methylfuran; 2,5-dimethylfuran; isobutanol; ethanol; and isopropanol) presented limited human toxicity based on the information available. All the blendstocks migrated primarily into air or water, with little mobility between these compartments. Coupled with aerobic and/or anaerobic biodegradability, long term environmental persistence is unlikely, with the only exception being diisobutylene, which was not biodegradable. Additional work should focus on the environmental impact of these blendstocks in complex mixtures, such as gasoline, which will represent more real world scenarios.

09 BIOMASS FUELS↗
DOE OSTI2021

The Reactivity of Polyethylene Microplastics in Water under Low Oxygen Conditions Using Radiation Chemistry

Polyethylene (PE) is an intensely utilized polymer, which has consequently led to it becoming a common environmental contaminant. PE and other plastic waste are known to be highly persistent in surface waters; however, chemical and physical changes do take place over time, dependent mostly on highly variable natural conditions, such as oxygen (O2) availability. Gamma radiation was used to generate reactive oxygen species, namely hydroxyl radicals, in initially aerated aqueous solutions to simulate the natural weathering of microplastics in waters where there are fluctuations and often depletions in dissolved O2. The headspace of the irradiated PE-containing solutions was probed for the formation of degradation products using solid-phase microextraction (SPME) fibers in combination with gas chromatography mass spectrometry (GCMS). The major species detected were n-dodecane, with trace levels of tridecane, 2-dodecanone, and hexadecane, which were believed to be predominately adsorbed in the PE microplastics in excess of their aqueous solubility limits. Surface characterization by Raman spectroscopy and light and dark field microscopy indicated no change in the chemical composition of the irradiated PE microplastics under low O2 to anaerobic conditions. However, morphological changes were observed, indicating radical combination reactions.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
NASA NTRS2012

An Effort to Map and Monitor Baldcypress Forest Areas in Coastal Louisiana, Using Landsat, MODIS, and ASTER Satellite Data

This presentation discusses a collaborative project to develop, test, and demonstrate baldcypress forest mapping and monitoring products for aiding forest conservation and restoration in coastal Louisiana. Low lying coastal forests in the region are being negatively impacted by multiple factors, including subsidence, salt water intrusion, sea level rise, persistent flooding, hydrologic modification, annual insect-induced forest defoliation, timber harvesting, and conversion to urban land uses. Coastal baldcypress forests provide invaluable ecological services in terms of wildlife habitat, forest products, storm buffers, and water quality benefits. Before this project, current maps of baldcypress forest concentrations and change did not exist or were out of date. In response, this project was initiated to produce: 1) current maps showing the extent and location of baldcypress dominated forests; and 2) wetland forest change maps showing temporary and persistent disturbance and loss since the early 1970s. Project products are being developed collaboratively with multiple state and federal agencies. Products are being validated using available reference data from aerial, satellite, and field survey data. Results include Landsat TM- based classifications of baldcypress in terms of cover type and percent canopy cover. Landsat MSS data was employed to compute a circa 1972 classification of swamp and bottomland hardwood forest types. Landsat data for 1972-2010 was used to compute wetland forest change products. MODIS-based change products were applied to view and assess insect-induced swamp forest defoliation. MODIS, Landsat, and ASTER satellite data products were used to help assess hurricane and flood impacts to coastal wetland forests in the region.

Spruce, Joseph P.↗
DOE OSTI2021

Simple, low-cost and accurate data-driven geophysical forecasting with learned kernels

Modelling geophysical processes as low-dimensional dynamical systems and regressing their vector field from data is a promising approach for learning emulators of such systems. We show that when the kernel of these emulators is also learned from data (using kernel flows, a variant of cross-validation), then the resulting data-driven models are not only faster than equation-based models but are easier to train than neural networks such as the long short-term memory neural network. In addition, they are also more accurate and predictive than the latter. When trained on geophysical observational data, for example the weekly averaged global sea-surface temperature, considerable gains are also observed by the proposed technique in comparison with classical partial differential equation-based models in terms of forecast computational cost and accuracy. When trained on publicly available re-analysis data for the daily temperature of the North American continent, we observe significant improvements over classical baselines such as climatology and persistence-based forecast techniques. Although our experiments concern specific examples, the proposed approach is general, and our results support the viability of kernel methods (with learned kernels) for interpretable and computationally efficient geophysical forecasting for a large diversity of processes.

58 GEOSCIENCES↗
DOE OSTI2026

Isotopic discrepancy in microscopic fusion of 16 O + 40,48 Ca

We present a detailed comparison of fusion in 16 O + 40,48 Ca within a fully microscopic time-dependent Hartree-Fock framework over sub-, near-, and above-barrier energies. While 16 O + 40 Ca fusion cross sections are reproduced within the available experimental energy range, calculations for the neutron-rich 16 O + 48 Ca system systematically overestimate the measured near-barrier cross sections. The discrepancy persists across the tested energy density functionals, indicating that it is not tied to a particular parametrization. Analysis of the dynamical interaction potentials reveals an outward shift and softening of the barrier region at the lowest collision energies. These results are then compared to a frozen density description where the barrier modifications are absent and the predicted cross sections are brought closer to experiment. Here, this demonstrates that the observed discrepancy is closely linked to dynamical surface rearrangement and isovector effects, and highlights the sensitivity of low-energy fusion to both the structure and dynamics of neutron-rich nuclei. This suggests that limitations in the isovector sector of conventional Skyrme EDFs in describing the structure of 48 Ca, as highlighted by CREX, are also manifested in the fusion dynamics of the 16 O + 48 Ca system.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Institute for Sustained Performance, Energy, and Resilience (SUPER): University of Utah Final Report

Over the course of this project, computational scientists working on behalf of the Department of Energy's Office of Science (DOE SC) were exploiting a new generation of petascale computing resources to make previously inaccessible discoveries in a broad range of disciplines including physics, chemistry and material science. The computational systems underpinning this work increased in performance potential from tens to hundreds of Pflop/s, and evolved significantly from those in use at the beginning of the project in terms of available concurrency; wider use of accelerators such as graphics processing units(GPUs); and changes to the memory hierarchy including the incorporation of a new generation of persistent devices (e.g., phase change memory). To ensure that DOE's computational scientists can successfully exploit this emerging generation of high performance computing (HPC) systems, the University of Southern California (USC) assembled a broad team of computer scientists with the expertise to address the most pressing challenges of DOE's computing systems: (a) end-to-end performance optimization, including single-node performance, interprocessor communication, load balancing and I/O; (b) performance portability for heterogeneous systems, including accelerators; (c) minimizing energy consumption; (d) resilient computation; and, (e) exploiting new memory technology.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Energy-dependent optimization of the prompt fission neutron spectrum with CGMF

Throughout the course of FY21, significant effort was put into investigating models within the LANL developed Hauser-Feshbach fission fragment decay code, CGMF, to understand and potentially solve the long-standing challenge of a too-soft prompt fission neutron spectrum, PFNS. Several inputs and models to CGMF were investigated, including the discrete nuclear levels, the optical model potential, level densities, and the fission fragment initial conditions. Some of the global models within CGMF led to a slight hardening of the neutron spectrum—particularly the likely incomplete discrete levels in through which γ-rays decay—but none of the changes where large enough for the tail of the PFNS to reproduce experimental data. A significant hardening of the spectrum tail was observed when the fission fragment initial conditions were optimized based on their sensitivities to the PFNS data for thermal incident neutrons. In this way, the parameters for the CGMF mass and total kinetic energy distributions, along with the spin cutoff factor were adjusted to better reproduce the experimental PFNS measurements. This optimization hardened the tail of the PFNS slightly but led to unphysical mass distributions for the fission fragments before neutron emission. It was clear from the above that we do not expect to be able to produce an evaluation-quality PFNS with CGMF in the near future. Challenges at thermal will persist–and possibly worsen–with increasing incident energy, where more models are needed to completely describe the fission. Basic-science research funding exceeding the amount available and scope of our NCSP funds would be needed to tackle this decade-long challenge impacting many fission-fragment event generator. And, in fact, Amy Lovell won LDRD ECR funding to do so over the next few years. Therefore, we focused in FY22 on extending evaluation capabilities beyond thermal incident neutrons, to take into account the incident energy dependence of the PFNS and fission fragment initial condition distributions in CGMF. We chose to set up the evaluation methodology to perform PFNS evaluations with CGMF across incident-neutron energies, in order to have it readily available for future NCSP evaluations when the PFNS from CGMF has improved. In this report, we outline the evaluation methodology, along with the results of the optimization, including full model calculations with CGMF using the evaluated parameters.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRSDate not supplied

Pilot Assessment of Immune Dysregulation, Stress and Latent Herpesvirus Reactivation at Palmer, Antarctica - Platform for validation of Immune Countermeasures?

Recent studieshave characterized adverse health events potentially relatedto immune system dysregulation, latent herpesvirus reactivation, and clinical incidence for crewmembers onboard ISS. Both areview article describing potential spaceflight countermeasures related to immunityand a specific countermeasures protocol for deep space missions were recently published. An appropriate ground analogto enable spaceflight countermeasures has yet to be validated, although winterover in Antarctica (AWO) seems a highly relevant mission parallel to spaceflight. AWO consists of prolonged deployment, extreme environment, circadian misalignment, personal isolation, station lifestyle (varies by base), and personal risk. Through several studies, AWO at several European bases has beencharacterized, and to date the data has revealed that (immunologically) deployment to interior bases at elevation and with persistent hypobaric hypoxia possesses certaindissimilarities to spaceflight. This proposal seeks to collect low cost pilot data assessing stress, immunity and viral reactivation during AWOat thecoastalU.S. Palmer Station. Even among coastal bases, lifestyle, available crew time/workload and logistical access can vary considerably. Considering all factors, if validated, Palmer may be the most feasible location to evaluate NASA countermeasures. The goal of this pilot study is to ascertain if Palmer may serve as a spaceflight analog option for ground validation of immune countermeasures.The study initiatedwith the crew deployed for winterover at Palmer in 2020.A second crew participated in the recently concluded WO2021 season.All participatingcrew havecollectedand preservedsaliva, plasma and hair samples. On location, the crewmembers alsoperformeda fingerstick blood collection for immediate analysis of basic peripheral leukocyte subsets. Preserved biosamples have beenreturned for analysis, with the WO2020 samples received, and the WO2021 samples currently en-route to Houston. It should be noted that COVID-19 had significant impacts on operations, including training and the collection of pre-mission baseline samples. Preliminary data from the 2020 crewmembers indicate that a relatively mild but detectable immune dysregulation persists at Palmer Station, including alterations in concentration of some plasma cytokines and consistent increases in the incidence of EBV reactivation. Final study data will be tabulated upon receipt of the 2021 crew samples.

Stephanie Krieger↗
DOE OSTI2021

Magneto-Optical Sensing Beyond the Shot Noise Limit

Magneto-optical sensors including spin noise spectroscopies and magneto-optical Kerr effect microscopies are now ubiquitous tools for materials characterization that can provide new understanding of spin dynamics, hyperfine interactions, spin-orbit interactions, and charge-carrier g-factors. Both interferometric and intensity-difference measurements can provide photon-shot-noise-limited sensitivity, but further improvements in sensitivity with classical resources require either increased laser power that can induce unwanted heating and electronic perturbations or increased measurement times that can obscure out-of-equilibrium dynamics and slow experimental throughput. Proof-of-principle measurements have already demonstrated quantum enhanced spin noise measurements with a squeezed readout field that are likely to be critical to the nonperturbative characterization of spin excitations in quantum materials that emerge at low temperatures. Here, a truncated nonlinear interferometric readout for low-temperature magneto-optical Kerr effect and related magneto-optical microscopies that is accessible with today's quantum optical resources is proposed. 10 nrad/$\sqrt{Hz}$ sensitivity is achievable with optical power as small as 1 µW. As a result, measurements may be performed at temperatures as low as 83 mK in commercially available dilution refrigerators. This combination of high sensitivity and low operating temperature is impossible to achieve with any classical measurement. The quantum advantage for the proposed measurements persists even in the limit of large loss and small squeezing parameters.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Diamine-Appended Mg 2 (dobpdc) Nanorods as Phase-Change Fillers in Mixed-Matrix Membranes for Efficient CO 2 /N 2 Separations

Despite the availability of chemistries to tailor the pore architectures of microporous polymer membranes for chemical separations, trade-offs in permeability and selectivity with functional group manipulations nevertheless persist, which ultimately places an upper bound on membrane performance. We introduce a new design strategy to uncouple these attributes of the membrane. Key to our success is the incorporation of phase-change metal-organic frameworks (MOFs) into the polymer matrix, which can be used to increase the solubility of a specific gas in the membrane, and thereby its permeability. We further show that it is necessary to scale the size of the phase-change MOF to nanoscopic dimensions, in order to take advantage of this effect in a gas separation. Our observation of an increase in solubility and permeability of only one of the gases during steady-state permeability measurements suggests fast exchange between free and chemisorbed gas molecules within the MOF pores. While the kinetics of this exchange in phase-change MOFs are not yet fully understood, their role in enhancing the efficacy and efficiency of the separation is clearly a compelling new direction for membrane technology.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Consequences of Femtosecond Laser Filament Generation Conditions in Standoff Laser Induced Breakdown Spectroscopy

We investigate the role of femtosecond laser focusing conditions on ablation properties and its implications on analytical merits and standoff detection applications. Femtosecond laser pulses can be used for ablation either by tightly focusing or by using filaments generated during its propagation. We evaluated the persistence of atomic, and molecular emission features as well as time evolution of the fundamental properties (temperature and density) of ablation plumes generated using different methods.

laser ablation (LA)↗
DOE OSTI2021

SoDaH: the SOils DAta Harmonization database, an open-source synthesis of soil data from research networks, version 1.0

Data collected from research networks present opportunities to test theories and develop models about factors responsible for the long-term persistence and vulnerability of soil organic matter (SOM). Synthesizing datasets collected by different research networks presents opportunities to expand the ecological gradients and scientific breadth of information available for inquiry. Synthesizing these data is challenging, especially considering the legacy of soil data that have already been collected and an expansion of new network science initiatives. To facilitate this effort, here we present the SOils DAta Harmonization database (SoDaH; https://lter.github.io/som-website, last access: 22 December 2020), a flexible database designed to harmonize diverse SOM datasets from multiple research networks. SoDaH is built on several network science efforts in the United States, but the tools built for SoDaH aim to provide an open-access resource to facilitate synthesis of soil carbon data. Moreover, SoDaH allows for individual locations to contribute results from experimental manipulations, repeated measurements from long-term studies, and local- to regional-scale gradients across ecosystems or landscapes. Finally, we also provide data visualization and analysis tools that can be used to query and analyze the aggregated database. The SoDaH v1.0 dataset is archived and available at https://doi.org/10.6073/pasta/9733f6b6d2ffd12bf126dc36a763e0b4 (Wieder et al., 2020).

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2016

Regional Atmospheric CO2 Inversion Reveals Seasonal and Geographic Differences in Amazon Net Biome Exchange

Understanding tropical rainforest carbon exchange and its response to heat and drought is critical for quantifying the effects of climate change on tropical ecosystems, including global climate carbon feedbacks. Of particular importance for the global carbon budget is net biome exchange of CO2 with the atmosphere (NBE), which represents nonfire carbon fluxes into and out of biomass and soils. Subannual and sub-Basin Amazon NBE estimates have relied heavily on process-based biosphere models, despite lack of model agreement with plot-scale observations. We present a new analysis of airborne measurements that reveals monthly, regional-scale (Approx.1-8 x 10(exp -6) km2) NBE variations. We develop a regional atmospheric CO2 inversion that provides the first analysis of geographic and temporal variability in Amazon biosphere-atmosphere carbon exchange and that is minimally influenced by biosphere model-based first guesses of seasonal and annual mean fluxes. We find little evidence for a clear seasonal cycle in Amazon NBE but do find NBE sensitivity to aberrations from long-term mean climate. In particular, we observe increased NBE (more carbon emitted to the atmosphere) associated with heat and drought in 2010, and correlations between wet season NBE and precipitation (negative correlation) and temperature (positive correlation). In the eastern Amazon, pulses of increased NBE persisted through 2011, suggesting legacy effects of 2010 heat and drought. We also identify regional differences in postdrought NBE that appear related to long-term water availability. We examine satellite proxies and find evidence for higher gross primary productivity (GPP) during a pulse of increased carbon uptake in 2011, and lower GPP during a period of increased NBE in the 2010 dry season drought, but links between GPP and NBE changes are not conclusive. These results provide novel evidence of NBE sensitivity to short-term temperature and moisture extremes in the Amazon, where monthly and sub-Basin estimates have not been previously available.

precipitation↗
NASA NTRS2012

Sensitivity of Cirrus and Mixed-phase Clouds to the Ice Nuclei Spectra in McRAS-AC: Single Column Model Simulations

The salient features of mixed-phase and ice clouds in a GCM cloud scheme are examined using the ice formation parameterizations of Liu and Penner (LP) and Barahona and Nenes (BN). The performance of LP and BN ice nucleation parameterizations were assessed in the GEOS-5 AGCM using the McRAS-AC cloud microphysics framework in single column mode. Four dimensional assimilated data from the intensive observation period of ARM TWP-ICE campaign was used to drive the fluxes and lateral forcing. Simulation experiments where established to test the impact of each parameterization in the resulting cloud fields. Three commonly used IN spectra were utilized in the BN parameterization to described the availability of IN for heterogeneous ice nucleation. The results show large similarities in the cirrus cloud regime between all the schemes tested, in which ice crystal concentrations were within a factor of 10 regardless of the parameterization used. In mixed-phase clouds there are some persistent differences in cloud particle number concentration and size, as well as in cloud fraction, ice water mixing ratio, and ice water path. Contact freezing in the simulated mixed-phase clouds contributed to transfer liquid to ice efficiently, so that on average, the clouds were fully glaciated at T approximately 260K, irrespective of the ice nucleation parameterization used. Comparison of simulated ice water path to available satellite derived observations were also performed, finding that all the schemes tested with the BN parameterization predicted 20 average values of IWP within plus or minus 15% of the observations.

Betancourt, R. Morales↗
DOE OSTI2018

Moving Beyond Data Paralysis to Effective use of Building Analytics

As digital controls and smart meters become commonplace in commercial buildings, facilities teams have access to overwhelming amounts of data. This data does not typically lead to insights and corrective actions unless it is analyzed and prioritized in automated ways. Analytic software has been commercially available for over 20 years, but only recently have these tools seen increased adoption. This monitoring infrastructure helps uncover hidden operational opportunities, which is enticing for decision makers looking for short paybacks. Rather than single project savings, monitoring-based commissioning (MBCx) provides tools and processes to implement persistent, continuous improvement. What was formerly a data onslaught is now becoming a controlled resource for improved energy management. In 2016, a Research and Industry Partnership program was launched to support the use of analytics and diagnostics technologies and MBCx practices. This program couples technical assistance to owners to help increase adoption with a data collection effort to inform industry. It includes the most comprehensive data available nationally on analytics installation and use. The first-year results are in, with data from 46 organizations representing over 185 million square feet and 2,300 buildings. These organizations have achieved a median year-over-year energy savings of $0.20/sq ft with a median first year technology implementation cost of $0.12/sq ft. The paper summarizes attributes of successful analytics and MBCx installations, and cost-effectiveness results. The research provides insight for utilities considering adopting analytics technologies into incentive programs, for analytics developers to improve the performance of their solutions, and for commercial building facility staff considering these technologies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2017

El Niño increases the risk of lower Mississippi River flooding

Mississippi River floods rank among the costliest climate-related disasters in the world. Improving flood predictability, preparedness, and response at seasonal to decadal time-scales requires an understanding of the climatic controls that govern flood occurrence. Linking flood occurrence to persistent modes of climate variability like the El Niño-Southern Oscillation (ENSO) has proven challenging, due in part to the limited number of high-magnitude floods available for study in the instrumental record. To augment the relatively short instrumental record, we use output from the Community Earth System Model (CESM) Last Millennium Ensemble (LME) to investigate the dynamical controls on discharge extremes of the lower Mississippi River. We show that through its regional influence on surface water storage, the warm phase of ENSO preconditions the lower Mississippi River to be vulnerable to flooding. In the 6–12 months preceding a flood, El Niño generates a positive precipitation anomaly over the lower Mississippi basin that gradually builds up soil moisture and reduces the basin’s infiltration capacity, thereby elevating the risk of a major flood during subsequent rainstorms. Our study demonstrates how natural climate variability mediates the formation of extreme floods on one of the world’s principal commercial waterways, adding significant predictive ability to near- and long-term forecasts of flood risk.

54 ENVIRONMENTAL SCIENCES↗