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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Hydropower potential derived from streamflow extremes for Alaska, USA

Alaska is an expansive region known for its abundant natural resources, including thousands of miles of streams and rivers. These rivers represent potential opportunities for future hydropower development that could provide reliable energy supply for local communities. There is limited long-term high temporal resolution streamflow data available for the region, making data-driven estimates of potential hydropower and its variability across the state challenging. This study provides a novel data-driven approach for hydropower capacity estimation across Alaska. We use supervised machine learning to develop a relationship between the daily and peak flow duration curves in order to augment the size of our dataset from 44 sites to 67 sites. We perform a stochastic hydropower estimation across the 67 sites and identify approximately 1000 MW of total potential hydropower capacity distributed across these sites. Our study provides the first step towards more comprehensive hydropower estimation for this critical region, highlighting the need for future work integrating high-resolution spatial data, community needs, and economic constraints in estimates of potential hydropower development in Alaska.

Hydropower↗
DOE OSTI2024

Development of a multi-layer canopy model for E3SM Land Model with support for heterogeneous computing

The vertical structure of vegetation canopies creates micro-climates. However, the land components of most Earth System Models, including the Energy Exascale Earth System Model (E3SM), typically neglect vertical canopy structure by using a single layer big-leaf representation to simulate water, CO 2 , and energy exchanges between the land and the atmosphere. In this study, we developed a Multi-Layer Canopy Model for the E3SM Land Model to resolve the micro-climate created by vegetation canopies. The model developed in this study re-implements the CLM-ml_v1 to support heterogeneous computing architectures consisting of CPUs and GPUs and includes three additional optimization-based stomatal conductance models. The use of Portable, Extensible Toolkit for Scientific Computation provides a speedup of 25–50 times on a GPU relative to a CPU. The numerical implementation of the model was verified against CLM-ml_v1 for a month-long simulation using data from the Ameriflux US-University of Michigan Biological Station site. Model structural uncertainty was explored by performing control simulations for five stomatal conductance models that exclude and include the control of plant hydrodynamics (PHD) on photosynthesis. The bias in simulated sensible and latent heat fluxes was lower when PHD was accounted for in the model. Additionally, six idealized simulations were performed to study the impact of three environmental variables (i.e. air temperature, atmospheric CO 2 , and soil moisture) on canopy processes (i.e. net CO 2 assimilation, leaf temperature, and leaf water potential). Increasing air temperature reduced net CO 2 assimilation and increased air temperature. Net CO 2 assimilation increased at higher atmospheric CO 2 , while decreasing soil moisture resulted in lower leaf water potential.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Determining the Effects of Zero-Field Splitting and Magnetic Exchange in Dimeric Europium(II) Complexes

Related BAP [BAP = bis(acyl)phosphide] and Acac (Acac = β-diketonate) molecules perform as robust supports for both lanthanide and actinide metals. Here, a molecular bimetallic Eu 2+ complex was successfully targeted and isolated by employing sodium bis(mesitoyl)phosphide [Na( mes BAP)] in a salt metathesis with EuI 2 , producing [Eu( mes BAP) 2 (et 2 o)] 2 (et 2 o = metal-coordinated diethyl ether). The corresponding Acac-Eu 2+ complex was targeted using mes Acac– (1,3-dimesityl-1,3-propanedione), generating [Eu( mes Acac) 2 (et 2 o)] 2 . Both complexes were characterized by single-crystal X-ray diffraction, UV–vis, IR, and NMR spectroscopies, and variable-temperature magnetic susceptibility. [Eu( mes BAP) 2 (et 2 o)] 2 was persistent under anaerobic, anhydrous conditions, whereas the analogous [Eu( mes Acac) 2 (et 2 o)] 2 showed evidence of decomposition under identical conditions. Finally, variable-temperature magnetic susceptibility and magnetization studies of [Eu( mes BAP) 2 (et 2 o)] 2 and [Eu( mes Acac) 2 (et 2 o)] 2 were performed, resulting in similar magnetic exchange coupling values of J ex = –0.018 and –0.023 cm –1 and axial zero-field-splitting D values of –0.38 and –0.51 cm –1 , respectively.

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

Intersubband Relaxation in CdSe Colloidal Quantum Wells

The dynamics of intersubband relaxation are critical to quantum well technologies such as quantum cascade lasers and quantum well infrared photodetectors. In this work, intersubband relaxation in CdSe colloidal quantum wells, or nanoplatelets, is studied via pump-push-probe transient spectroscopy. An initial interband pump pulse is followed by a secondary infrared push excitation, resonant with intersubband absorption, which promotes electrons from the first conduction band of the quantum well to the second conduction band. A probe pulse monitors subsequent electron cooling to the band edge of the quantum well. Using this technique, intersubband relaxation is studied as a function of critical variables such as colloidal quantum well size and thickness, surface ligand chemistry, temperature, and excitation pulse intensity. Larger quantum well sizes, judicious selection of surface ligand chemistry (e.g., thiolates), low temperatures, and elevated push pulse fluences slow intersubband relaxation. However, compared to resonant intraband relaxation in colloidal quantum dots (up to hundreds of picoseconds), intersubband relaxation in colloidal quantum wells is rapid (<1 ps) under all examined conditions. These experiments indicate that rapid relaxation is driven by both LO phonon and surface scattering. The short time scale of relaxation observed in these materials may hinder intersubband technologies such as mid-infrared detectors, although such rapid relaxation may prove valuable in optical switching.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

A [CoSiH 2 ] Silylene Synthon Provides Modular Access to Homo- and Heterobimetallic [Co=Si=M] (M = Co, Fe) Silicide Complexes

Base-stabilized [BP 3 iPr ](H) 2 CoSiH 2 (DMAP) (1, [BP 3 iPr ] = PhB(CH 2 P i Pr 2 ) 3 – ; DMAP = 4-dimethylaminopyridine) is a rare instance of a synthon for the simplest “parent” silylene complex (LM=SiH 2 ). Complex 1 was accessed in high yields via double Si–H bond activation in SiH 4 by [BP 3 iPr ]Co(DMAP), and in solution, it undergoes rapid exchange between bound and free DMAP by an associative mechanism (as determined by variable-temperature 1 H NMR dynamic studies). The DMAP ligand of 1 is readily displaced by metal-based fragments that bind silicon and cleave the Si–H bonds of the SiH 2 moiety to produce bimetallic [Co=Si=M] (M = Co, Fe) molecular silicides. Thus, treatment of 1 with 0.5 equiv of (LCo I ) 2 (μ-N 2 ) (L = a tripodal ligand) resulted in the spontaneous formation of [BP 3 iPr ](H) 2 Co=Si=Co(H) 2 L (L = [BP 2 tBu Pz], PhB(CH 2 P t Bu 2 ) 2 (pyrazolyl) - (3); Tp", HB(3,5-diisopropylpyrazolyl) 3 – (4)) with the concomitant release of DMAP. The symmetrical silicide [BP 3 iPr ](H) 2 Co=Si=Co(H) 2 [BP 3 iPr ] (5) was prepared by treatment of a mixture of 1 and [BP 3 iPr ]Co(DMAP) with 2 equiv of Ph 3 B, which in this case is required to sequester DMAP as the elimination product Ph 3 B-DMAP. A heterobimetallic silicide, [BP 3 iPr ](H) 2 Co=Si=Fe(H) 2 [SiP 3 iPr ] (7; [SiP 3 iPr ] = PhSi(CH 2 P i Pr 2 ) 3 ), was obtained via in situ KC 8 reduction of [SiP 3 iPr ]FeCl and subsequent addition of 1 and Ph 3 B. These transformations involving a metal–SiH 2 derivative demonstrate a fundamentally new type of reactivity for silylene complexes and provide a unique synthetic method for construction of molecular silicide complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

A Process‐Model Perspective on Recent Changes in the Carbon Cycle of North America

Continental North America has been found to be a carbon (C) sink over recent decades by multiple studies employing a variety of estimation approaches. However, several key questions and uncertainties remain with these assessments. Here we used results from an ensemble of 19 state-of-the-art dynamic global vegetation models from the TRENDYv9 project to improve these estimates and study the drivers of its interannual variability. Our results show that North America has been a C sink with a magnitude of 0.37 ± 0.38 (mean and one standard deviation) PgC year —1 for the period 2000–2019 (0.31 and 0.44 PgC year —1 in each decade); split into 0.18 ± 0.12 PgC year —1 in Canada (0.15 and 0.20), 0.16 ± 0.17 in the United States (0.14 and 0.17), 0.02 ± 0.05 PgC year —1 in Mexico (0.02 and 0.02) and 0.01 ± 0.02 in Central America and the Caribbean (0.01 and 0.01). About 57% of the new C assimilated by terrestrial ecosystems is allocated into vegetation, 30% into soils, and 13% into litter. Losses of C due to fire account for 41% of the interannual variability of the mean net biome productivity for all North America in the model ensemble. Finally, we show that drought years (e.g., 2002) have the potential to shift the region to a small net C source in the simulations (—0.02 ± 0.46 PgC year —1 ). Our results highlight the importance of identifying the major drivers of the interannual variability of the continental-scale land C cycle along with the spatial distribution of local sink-source dynamics.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Simulating Sea-Ice Deformation in Viscous-Plastic Sea-Ice Models With CD-Grids

Linear kinematic features (LKFs) are found everywhere in the Arctic sea-ice cover. They are strongly localized deformations often associated with the formation of leads and pressure ridges. In viscous-plastic (VP) sea-ice models, the simulation of LKFs depends on several factors such as the grid resolution, the numerical solver convergence, and the placement of the variables on the mesh. In this study, we compare two recently proposed discretization with a CD-grid placement with respect to their ability to reproduce LKFs. The first (CD1) is based on a nonconforming finite element discretization, whereas the second (CD2) uses a conforming subgrid discretization. To analyze their resolution properties, we evaluate runs from different models (e.g., FESOM, MPAS) on a benchmark problem using quadrilateral, hexagonal and triangular meshes. Our findings show that the CD1 setup simulates more deformation structure than the CD2 setup. This highlights the importance of the type of spatial discretization for the simulation of LKFs. Due to the higher number of degrees of freedom, both CD-grids resolve more LKFs than traditional A, B, and C-grids at fixed mesh level. This is an advantage of the CD-grid approach, as high spatial mesh resolution is needed in VP sea-ice models to simulate LKFs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Devising novel methods for the controlled synthesis with morphology and size control of scintillator materials

Nanoscale scintillators represent an important class of materials underlying the functioning of high resolution, high ‘light yield’ radiation detection equipment, applicable for medicine in addition to security and environmental monitoring. This current study has focused on the controlled synthesis of Cs 2 ZnX 4 (X = Cl, Br) not only due to its very fast and promising radioluminescence decay time but also because no reliable synthesis protocols have been reported for producing nanoscale motifs of this material, to date. Solution-based methods can be used to synthesize products, possessing different, discrete morphologies with the ability to dictate particle size and shape. Specifically, we have demonstrated that a hot injection technique can be used to fabricate nanoscale rods and plates. Using this method, we systematically studied the effect of varying reaction variables, such as (i) reaction temperature, (ii) surfactants, and (iii) reaction time. As synthesized nanorods of Cs 2 ZnCl 4 possessed lengths of 101.3 ± 24.4 nm with widths of 17.3 ± 4.5 nm, whereas Cs 2 ZnBr 4 , created under identical conditions, were characterized by lengths of 206 ± 50 nm and widths of 26.7 ± 12.6 nm. Ligand-assisted re-precipitation (LARP) was used to produce the corresponding micron-sized particles. Under these conditions, we successfully synthesized spindles and spherical particles of Cs 2 ZnCl 4 with sizes of 1.58 ± 0.16 μm and 1.03 ± 0.34 μm, respectively, whereas plates of Cs 2 ZnBr 4 were prepared with average sizes of 0.76 ± 0.21 μm. High resolution synchrotron mapping, using the hard X-ray nanoprobe at NSLS II, was used to confirm the expected spatial distribution of Cs, Zn, and Cl within the as-produced crystals. Nanorods of Cs 2 ZnCl 4 and Cs 2 ZnBr 4 were subsequently tested for scintillation light yield and decay times. Preliminary results showed that Cs 2 ZnCl 4 maintained a light yield of 100–300 photons per MeV with a fast decay component of 2.6 ns. Finally, the Cs 2 ZnBr 4 analogue did not give rise to any perceptible scintillation emission.

36 MATERIALS SCIENCE↗
DOE OSTI2026

A Trifunctional Cyclohexasilane for Branched Poly(cyclosilane)s

The poly(cyclosilane)s are a class of hybrid inorganic-organic polymers with an all Si–Si backbone, arranged into repeating cyclohexasilane motifs, and mixed methyl and hydro side chains. The synthesis of a densely functionalized cyclosilane with three-fold symmetry enabled copolymerization studies yielding poly(cyclosilane)s with variable amounts of branching. The properties of the novel branched poly(cyclosilane)s were investigated and it was found that branching led to less volatilization during pyrolysis in an inert atmosphere, suggesting the utility of poly(cyclosilane)s for applications as preceramic polymers.

Coschigano, Marissa G. [Johns Hopkins University, ↗
DOE OSTI2024

Cepheids with giant companions: II. Spectroscopic confirmation of nine new double-lined binary systems composed of two Cepheids

Context.Binary Cepheids with giant companions are crucial for studying the physical properties of Cepheid variables, in particular providing the best means to measure their masses. Systems composed of two Cepheids are even more important, but to date, only one such system has been identified, in the Large Magellanic Cloud (LMC). Aims.Our current aim is to increase the number of these systems known tenfold and to provide their basic characteristics. The final goal is to obtain the physical properties of the component Cepheids, including their masses and radii, and to learn about their evolution in the multiple systems, also revealing their origin. Methods.We started a spectroscopic monitoring campaign of nine unresolved pairs of Cepheids from the OGLE catalog to check if they are gravitationally bound. Two of these so-called double Cepheids are located in the LMC, five are in the Small Magellanic Cloud (SMC), and two are in the Milky Way (MW). Results.We report a spectroscopic detection of the binarity of all nine of these double Cepheids with orbital periods ranging from 2 to 18 years. This increases the number of known binary double (BIND) Cepheids from 1 to 10 and triples the number of all confirmed double-lined binary (SB2) Cepheids. For five BIND Cepheids, the disentangled pulsational light curves of the components show anti-correlated phase shifts due to orbital motion. We show the first empirical evidence that typical period–luminosity relations (PLRs) are rather binary Cepheid PLRs, as they include light of the companion. Conclusions.The statistics of pulsation period ratios of BIND Cepheids do not agree with those expected for pairs of Cepheids of the same age. These ratios together with the determined mass ratios far from unity suggest a merger origin of at least one component for about half of the systems. The SMC and MW objects are the first found in SB2 systems composed of giants in their host galaxies. The Milky Way BIND Cepheids are also the closest such systems, being located at about 11 and 26 kpc.

Astronomy & Astrophysics↗
DOE OSTI2023

Flash x-ray radiography analysis of detonation wave propagation in additive-manufactured high explosives

Recent research has demonstrated that additive manufacturing (AM) can be used to produce directionally sensitive high explosives (HEs), but detonation wave propagation in AM HEs with variable internal structure has not been studied. In this work, samples were printed using a 73 wt. % octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine-based HE ink. Flash x-ray radiography imaging was used to observe density changes in two imaging planes of each sample during detonation, and high-speed imaging was used to calculate the detonation velocity at the HE surface. The detonation front initially appears to fail in internal channel regions of the HE, but late reactions occurred in two samples, which increased the material bulk density by 2.8%, possibly due to shock convergence phenomena. The calculated detonation wave pressure similarly increased, but the accuracy of the results is uncertain because of the deviation of the low bulk density printed samples from the cast charge principal isentrope. Here, this work demonstrates that structure can be effectively utilized to guide detonation wave propagation through HE charges.

3D printing↗
DOE OSTI2023

Multiaxial Plastic Deformation of Zircaloy-4 Nuclear Fuel Cladding Tubes

Here, this work is motivated by the desire to devise an internal pressure test that can mimic a displacement-controlled loading scenario and demonstrate how to apply the multiaxial stress and strain data from the test to develop an elastic/plastic constitutive model for a thin-walled tubular component. This is achieved by conducting simultaneous measurements of tangential and axial strain during the pressure test and integrating these strain measures into a feedback loop with the pressure controller. It is shown how data from such a test can be used to develop a large mechanical property data set relevant to biaxial loading conditions. The data obtained have high confidence evidenced by their low variability and alignment with other literature studies. Additionally, data from these internal pressure tests combined with full-tube axial tensile tests allow for the derivation of the Hill anisotropic yield function. The developed Hill yield function is validated by comparing the plastic strain ratios from the full-tube tension tests and by comparing the predicted yield stress in the tangential direction with measured values from ring tension tests in a previous study.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Surrogate modelling the Baryonic Universe II: On forward modelling the colours of individual and populations of galaxies

ABSTRACT Among the properties shaping the light of a galaxy, the star formation history (SFH) is one of the most challenging to model due to the variety of correlated physical processes regulating star formation. In this work, we leverage the stellar population synthesis model fsps, together with SFHs predicted by the hydrodynamical simulation IllustrisTNG and the empirical model universemachine, to study the impact of star formation variability on galaxy colours. We start by introducing a model-independent metric to quantify the burstiness of a galaxy formation model, and we use this metric to demonstrate that universemachine predicts SFHs with more burstiness relative to IllustrisTNG. Using this metric and principal component analysis, we construct families of SFH models with adjustable variability, and we show that the precision of broad-band optical and near-infrared colours degrades as the level of unresolved short-term variability increases. We use the same technique to demonstrate that variability in metallicity and dust attenuation presents a practically negligible impact on colours relative to star formation variability. We additionally provide a model-independent fitting function capturing how the level of unresolved star formation variability translates into imprecision in predictions for galaxy colours; our fitting function can be used to determine the minimal SFH model that reproduces colours with some target precision. Finally, we show that modelling the colours of individual galaxies with per cent-level precision demands resorting to complex SFH models, while producing precise colours for galaxy populations can be achieved using models with just a few degrees of freedom.

Chaves-Montero, Jonás (ORCID:0000000295534261)↗
DOE OSTI2024

Modeling the Impacts of Material Properties on Oscillatory Neuron Behavior

In this study, neuromorphic computing, which mimics the functions of biological brains, offers improvements in both latency and energy efficiency over typical von Neumann computing architectures. Spiking neural networks can be especially power-efficient because they encode information temporally and can use more sparse electrical inputs. Here, we study the design of volatile memristors (variable resistors with memory) for neuronal devices, with particular consideration toward the feasibility of all-on-chip oscillation using built-in capacitance. We use circuit simulations to model the behavior of oscillator neurons with a range of realistic material properties. We find that energy inputs increase with insulating-phase resistivity, thermal conductivity, and device aspect ratio. However, we also find that the minimum capacitance needed for oscillation decreases with increasing insulating-phase resistivity, which opposes the constraints for power efficiency. Based on published data on NbO 2 , VO 2 , and EuNiO 3 , we find that existing materials can be engineered for all-on-chip spiking using their parasitic capacitance.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Eco Look-Ahead Control of Battery Electric Vehicles and Roadway Grade Effects

Roadway grade is one of the major variables that affects a vehicle’s energy consumption. This study demonstrates the potential benefits of an eco look-ahead control for battery electric vehicles (BEVs). The proposed eco look-ahead controller was developed for the lead vehicle of a platoon of BEVs. The eco look-ahead control predicts the optimum speed and acceleration levels within a preset speed window to minimize energy consumption considering the instantaneous energy used and the regenerated energy. The developed BEV eco look-ahead control system integrates a BEV energy consumption model and a powertrain model to save fuel while maintaining vehicle speed within a user-specified window. In addition, the study demonstrates the effects of roadway grade on BEV energy consumption. The results show that the energy consumption of BEVs are significantly reduced on downhill roads compared with internal combustion engine vehicles owing to regenerative braking. Specifically, testing showed that BEVs could even produce extra energy on downhill roads. The study also tested the eco look-ahead control on an 18-km section of I-81 and found that the system produced savings of 8.51% and 26.88% in the uphill and downhill directions, respectively. This study demonstrated that regenerative energy in BEVs is a critical factor in energy efficiency and the developed eco look-ahead control significantly improved the energy efficiency for BEVs.

Engineering↗
DOE OSTI2020

Method used in Tokunaga, T. et al. 2018 for simulating time- and depth- dependent temperature variations in soil and sediment in Rifle, Colorado, 2013-2016.

This data package contains temperature, moisture content, matric potential, and carbon dioxide (CO2) concentration data from the Rifle, Colorado field site and from a 2 meter tall laboratory soil/sediment column designed to simulate field conditions. In addition, redox potential data from the laboratory column are included. The purpose of the data and paper is to demonstrate how a laboratory column was constructed to reproduce the dynamics of nonisothermal conditions in the field, such that CO2 production above a variable-depth water table can be studied in the laboratory. The data package contains 3 data files corresponding to the figures in the related paper (Tokunaga, T. et al. 2018) and 1 README file with the paper information.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Temporal Study 2021-2022: Sample-Based Surface Water Chemistry and Organic Matter Characterization across Watersheds in the Yakima River Basin, Washington, USA (v3)

This dataset supports a broader study examining the drivers of temporal variability in sediment respiration rates in the Yakima River Basin. The dataset provides geochemistry and organic matter characterization data generated from samples collected at weekly or bi-weekly intervals at six sites across the Yakima River Basin in Washington, USA. Related sensor data will be published separately and can be used to link sediment respiration rates to biogeochemical processing rates. The data package was originally published in November 2022. It was updated in November 2023 (v2; modified files) and April 2025 (new and modified files). See the change history section in readme for more details. For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. This dataset is comprised of one main data folder containing (1) file-level metadata; (2) data dictionary; (3) field metadata; (4) dissolved inorganic carbon (DIC), dissolved organic carbon (DOC; reported as non-purgeable organic carbon; NPOC), total nitrogen (TN), total suspended solids (TSS), and ions; (5) averaged values from water chemistry data; (6) surface water sampling protocol; (7) sensor protocol; (8) readme; (9) methods codes; (10) international generic sample number (IGSN) mapping file; and (11) folder of high resolution characterization of organic via 12 Tesla Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) through the Environmental Molecular Sciences Laboratory (EMSL; https://www.pnnl.gov/environmental-molecular-sciences-laboratory). This folder contains two subfolders, one containing the .xml data files and the other containing instructions for using Formularity (https://omics.pnl.gov/software/formularity) and an R script to process the data based on the user's specific needs. All files are .csv, .pdf, .R, .ref, or .xml. We acknowledge the Yakama Nation as owners and caretakers of the lands where we collected our data. We thank the Confederated Tribes and Bands of the Yakama Nation Tribal Council and Yakama Nation Fisheries for working with us to facilitate sample collection and optimization of data usage according to their values and worldview.

54 ENVIRONMENTAL SCIENCES↗