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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Pressure Drop Correlation Improvement for the Near-Wall Region of Pebble-Bed Reactors

Packed beds play an important role in several engineering fields, with their applications in nuclear energy being driven by the development of next-generation reactors utilizing pebble fuel. The random nature of a packed pebble bed creates a flow field that is complex and difficult to predict. Porous media models are an attractive option for modeling pebble-bed reactors (PBRs), as they provide intermediate fidelity results and are computationally efficient. Porous media models, however, rely on the use of correlations to estimate the effect of complicated flow features on the pressure drop and heat transfer in the system. Existing correlations were developed to predict the average behavior of the bed, but they are inaccurate in the near-wall region where the presence of the wall affects the pebble packing. This work aims to investigate the accuracy of a porous media model using the Kerntechnischer Ausschuss (KTA) correlation, the most common pressure drop correlation for PBRs compared to the high-fidelity large eddy simulation (LES). A bed of 1568 pebbles is investigated at Reynolds numbers from 625 to 10 000. The bed is divided into five concentric subdomains to compare the average velocity, friction losses, and form losses between the porous media and LES codes. The comparison between the LES simulation and the KTA correlation revealed that the KTA correlation largely underpredicts the form losses in the near-wall region, leading to an overprediction of the velocity near the wall by nearly 30%. An investigation of the form losses across the range of Reynolds numbers in the LES results provided additional insight into how the KTA correlation may be improved to better predict these spatial effects in a pebble bed. These data suggest that the form coefficient near the wall must be increased by 48% while decreasing the form coefficient of the inner bulk region of the bed by 15%. The implementation of these improvements to the KTA correlation in a porous media model produced a radial velocity profile that saw significantly improved agreement with the LES results.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Graph network heterogeneity predicts interplant wake losses

Wind plants generate large-scale wakes, which can affect the performance of neighboring installations. Such wakes are challenging to estimate due to the inherent complexity in modeling wake interactions between large quantities of turbines at various distances. Weighted directed graph networks can inform complex models by linking turbine pairs into chains of upstream and downstream neighbors for a given wind direction. A novel interpretation of the graph network adjacency matrix is proposed where each element of the matrix represents the cumulative impact of upstream turbines on an individual. In this study, wake losses were estimated with an engineering wake model across a range of inflow conditions for nine parametric variations of a system containing two neighboring wind plants. The parametric nature of the study isolates turbine spacing within the plant, separation distance between plants, and wind direction as the main drivers of wake losses. Spatial heterogeneity is computed from the weighted average adjacency matrix of each plant arrangement. The proposed method is orders of magnitude faster than wake modeling and does not require detailed turbine information or atmospheric conditions. Furthermore, the weighted average adjacency matrix provides insight on the spatial organization of wake losses at various scales. Plant heterogeneity is correlated with wake losses within and among plants. Framing wind plant wake interaction in terms of graph network spatial heterogeneity provides an efficient approach for predicting wake losses within and among neighboring wind plants with applications to other complex systems where wake interactions are key factor.

17 WIND ENERGY↗
DOE OSTI2021

The nanoscale distribution of copper and its influence on charge collection in CdTe solar cells

For decades, Cu has been the primary dopant in CdTe photovoltaic absorbers. Typically, Cu acceptor concentrations in these devices are on the order of 1 1014 cm-3, which has made it notoriously difficult to directly correlate nanoscale Cu distributions to the local charge transport properties of these devices. To measure and correlate these properties, measurement techniques require high sensitivity to elemental concentration, large penetration depth, and operando compatibility. Techniques such as secondary-ion mass spectroscopy and X-ray energy dispersive spectroscopy are widely adopted to measure Cu concentrations, but they are limited by penetration depth, sensitivity, or spatial resolution. Additionally, they lack the operando capabilities required to correlate one-to-one Cu concentrations to electrical performance. In this work, correlative X-ray microscopy is used to investigate the spatial distribution of Cu and its impact on charge collection through the depth and breadth of CdTe photovoltaic devices. Plan-view, nanoscale X-ray fluorescence maps clearly demonstrate the spatial segregation of copper around regions thought to be CdTe grain boundaries. Complementary cross-section imaging unveils the transition of the maximum charge-collection efficiency from the ZnTe-CdTe interface to the CdS-CdTe interface as a function of Cu incorporation. The copper concentration through the depth of the CdTe layer is characterized by slow and fast diffusion components, and cross-section charge-transport modeling shows that the experimentally obtained charge collection can be explained by the modeled acceptor distribution through the depth of the CdTe layer.

14 SOLAR ENERGY↗
DOE OSTI2018

Polymorphous band structure model of gapping in the antiferromagnetic and paramagnetic phases of the Mott insulators MnO, FeO, CoO, and NiO

The existence of band gaps in both the antiferromagnetic (AFM) and paramagnetic (PM) phases of the classic NaCl-structure Mott insulators MnO, FeO, CoO, and NiO is traditionally viewed and taught as a manifestation of strong correlation whereby insulation results from electrons moving across the lattice forming states with doubly occupied d orbitals on certain atomic sites and empty d orbitals on other sites. Within such theories, the gap of the AFM and PM phases of these oxides emerges even in the absence of spatial symmetry breaking. The need for such a correlated picture is partially based on the known failure of the commonly used band models for the PM phase that assume for such a spin disordered state the macroscopically averaged NaCl structure, where all transition metal (TM) sites are symmetry-equivalent (a monomorphous description), producing a gapless PM state with zero magnetic moments, in sharp conflict with experiment. Here, we seek to understand the minimum theoretical description needed to capture the leading descriptors of ground state Mott insulation in the classic, 3d monoxide Mott systems—gapping and moment formation in the AFM and PM phase. As noted by previous authors, the spin-ordered AFM phase in these materials already shows in band theory a significant band gap when one doubles the NaCl unit cell by permitting different potentials for transition-metal atoms with different spins. For the spin-disordered PM phase, we allow analogously larger NaCl-type supercells where each TM site can have different spin direction and local bonding environments (i.e., disordered), yet the total spin is zero. Such a polymorphous description has the flexibility to acquire symmetry-breaking energy-lowering patterns that can lift the degeneracy of the d orbitals and develop large on-site magnetic moments without violating the global, averaged NaCl symmetry. Electrons are exchanged between spin-up and spin-down bands to create closed-shell insulating configurations that lend themselves to a single determinental description. It turns out that such a polymorphous description of the structure within the single-determinant, mean-field, Bloch periodic band structure approach (based on DFT+U) allows large on-site magnetic moments to develop spontaneously, leading to significant (1–3 eV) band gaps and large local moments in the AFM and PM phases of the classic NaCl-structure Mott insulators MnO, FeO, CoO, and NiO in agreement with experiment. We adapt to the spin disordered polymorphous configurations the “special quasirandom structure” (SQS) construct known from the theory of disordered substitutional alloys whereby supercell approximants which represent the best random configuration average (not individual snapshots) for finite (64, 216 atoms, or larger) supercells of a given lattice symmetry are constructed. We conclude that the basic features of these paradigmatic Mott insulators can be approximated by the physics included in energy-lowering symmetry broken DFT.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Incorporation of Spatial Stochastic Variability into Paracousti-UQ

Waves propagating through natural materials such as ocean water encounter spatial variations in material properties that cannot easily be predicted or known in advance. Deterministic wave simulation algorithms must assume that all properties throughout the model space are precisely known. However, a stochastic wave simulation tool can parameterize the material as a stochastic medium with a certain probability distribution and correlation length. This report documents the addition of spatial stochastic variability into Paracousti-UQ, Sandia Geophysics Department's 3-D full waveform acoustic algorithm within stochastic media. The ability of the code to replicate Monte Carlo solutions in 1-D spatially variable media is also evaluated.

58 GEOSCIENCES↗
DOE OSTI2019

Ion exchange selectivity in clay is controlled by nanoscale chemical–mechanical coupling

Ion exchange in nanoporous clay-rich media plays an integral role in water, nutrient, and contaminant storage and transport. In montmorillonite (MMT), a common clay mineral in soils, sediments, and muds, the swelling and collapse of clay particles through the addition or removal of discrete molecular layers of water alters cation exchange selectivities in a poorly understood way. Here, we show that ion exchange is coupled to the dynamic delamination and restacking of clay layers, which creates a feedback between the hydration state of the exchanging cation and the composition of the clay interlayer. Particles with different hydration states are distinct phases with unique binding selectivities. Surprisingly, equilibrium achieved through thermal fluctuations in cation concentration and hydration state leads to the exchange of both ions and individual MMT layers between particles, a process we image directly with high-resolution transmission electron microscopy at cryogenic conditions (cryo-TEM). We introduce an exchange model that accounts for the binding selectivities of different phases, which is likely applicable to many charged colloidal or macromolecular systems in which the structural conformation is correlated with the activities of water and counterions within spatially confined compartments.

Whittaker, Michael L.↗
DOE OSTI2021

Super Resolution Digital Image Correlation (SR-DIC): an Alternative to Image Stitching at High Magnifications

Abstract Background High-resolution Digital Image Correlation (DIC) measurements have previously been produced by stitching of neighboring images, which often requires short working distances. Separately, the image processing community has developed super resolution (SR) imaging techniques, which improve resolution by combining multiple overlapping images. Objective This work investigates the novel pairing of super resolution with digital image correlation, as an alternative method to produce high-resolution full-field strain measurements. Methods First, an image reconstruction test is performed, comparing the ability of three previously published SR algorithms to replicate a high-resolution image. Second, an applied translation is compared against DIC measurement using both low- and super-resolution images. Third, a ring sample is mechanically deformed and DIC strain measurements from low- and super-resolution images are compared. Results SR measurements show improvements compared to low-resolution images, although they do not perfectly replicate the high-resolution image. SR-DIC demonstrates reduced error and improved confidence in measuring rigid body translation when compared to low resolution alternatives, and it also shows improvement in spatial resolution for strain measurements of ring deformation. Conclusions Super resolution imaging can be effectively paired with Digital Image Correlation, offering improved spatial resolution, reduced error, and increased measurement confidence.

Hansen, R. S.↗
DOE OSTI2021

Visualizing delocalized correlated electronic states in twisted double bilayer graphene

Abstract The discovery of interaction-driven insulating and superconducting phases in moiré van der Waals heterostructures has sparked considerable interest in understanding the novel correlated physics of these systems. While a significant number of studies have focused on twisted bilayer graphene, correlated insulating states and a superconductivity-like transition up to 12 K have been reported in recent transport measurements of twisted double bilayer graphene. Here we present a scanning tunneling microscopy and spectroscopy study of gate-tunable twisted double bilayer graphene devices. We observe splitting of the van Hove singularity peak by ~20 meV at half-filling of the conduction flat band, with a corresponding reduction of the local density of states at the Fermi level. By mapping the tunneling differential conductance we show that this correlated system exhibits energetically split states that are spatially delocalized throughout the different regions in the moiré unit cell, inconsistent with order originating solely from onsite Coulomb repulsion within strongly-localized orbitals. We have performed self-consistent Hartree-Fock calculations that suggest exchange-driven spontaneous symmetry breaking in the degenerate conduction flat band is the origin of the observed correlated state. Our results provide new insight into the nature of electron-electron interactions in twisted double bilayer graphene and related moiré systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Electron Physics in 3‐D Two‐Fluid 10‐Moment Modeling of Ganymede's Magnetosphere

Abstract We studied the role of electron physics in 3‐D two‐fluid 10‐moment simulation of Ganymede's magnetosphere. The model captures nonideal physics like the Hall effect, electron inertia, and anisotropic, nongyrotropic pressure effects. A series of analyses were carried out: (1) The resulting magnetic field topology and electron and ion convection patterns were investigated. The magnetic fields were shown to agree reasonably well with in situ measurements by the Galileo satellite. (2) The physics of collisionless magnetic reconnection were carefully examined in terms of the current sheet formation and decomposition of generalized Ohm's law. The importance of pressure anisotropy and nongyrotropy in supporting the reconnection electric field is confirmed. (3) We compared surface “brightness” morphology, represented by surface electron and ion pressure contours, with oxygen emission observed by the Hubble Space Telescope. The correlation between the observed emission morphology and spatial variability in electron/ion pressure was demonstrated. Potential extension to multi‐ion species in the context of Ganymede and other magnetospheric systems is also discussed.

Wang, Liang↗
DOE OSTI2023

Improving evapotranspiration computation with electrical resistivity tomography in a maize field

Abstract Hydrogeophysical methods have been increasingly used to study subsurface soil–water dynamics, yet their application beyond the soil compartment or the quantitative link to soil hydraulic properties remains limited. To examine how these methods can inform model‐based evapotranspiration (ET) calculation under varying soil water conditions, we conducted a pilot‐scale field study at an experimental maize plot with manipulated irrigation treatments. Our goal was to develop a workflow for (1) acquiring and inverting field electrical resistivity tomography (ERT) data, (2) correlating ERT to soil hydraulic properties, (3) spatially characterizing soil water stress that feeds into ET modeling (the FAO‐56 model), and (4) evaluating the performance of ERT‐based ET computation. Our results showed that ERT was able to capture decimeter‐scale soil water content (SWC) dynamics from root water uptake and irrigation manipulation and the contrast of soil water stress between deficiently and fully irrigated maize. We also demonstrated the flexibility of using ERT to spatially integrate soil water stress in the soil volume of interest, which could be adjusted based on different crops and plot layouts. The integration of the ERT datasets into ET modeling provided insights into the spatial heterogeneity of the subsurface that has been challenging for point‐based sensing, which can further our understanding of the hydraulic dynamics in the soil‐plant‐atmosphere continuum.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Different Spatiotemporal Patterns in Global Human Population and Built‐Up Land

Abstract Population concentration and built‐up land expansion are two prominent features of contemporary urbanization. Existing literature on the population aspect of urbanization has mostly focused on national and regional aggregates, and literature on the land development aspect has often relied on spatial case studies of individual cities or their meta‐analyses. Using newly‐available data, here we conduct the first global‐coverage, spatial analysis of the relationship between (changes in) population and built‐up land at multiple spatial scales, and compare to existing common beliefs about urbanization based on individual city studies. We find that population and built‐up land show distinctly different spatial and temporal patterns (with a global correlation coefficient around 0.6). Contrary to common impressions, our results show that during recent decades, developed and developing regions across the world experienced comparable amounts of built‐up land expansion. While meta‐analyses have reported that built‐up land in urban areas expands globally on average twice as fast as population grows, our results show the global change rates of built‐up land and population are similar. Also, most global population, including what national statistics agencies call urban population, reside in areas with low land development levels (which are frequently less than 5% built up). These changes in perspective suggest that urbanization's potential large‐scale impacts may need to be re‐evaluated, and lead to best‐practice recommendations for urbanization modeling and analysis. Especially, the common practice in large‐scale earth system modeling of assuming demographically‐defined urban population resides in areas with medium to high built‐up land development levels should change.

Gao, Jing↗
DOE OSTI2022

The phononic and charge density wave behavior of entire rare-earth tritelluride series with chemical pressure and temperature

Here, we present comprehensive phononic and charge density wave properties (CDW) of rare-earth van der Waals tritellurides through temperature dependent angle-resolved Raman spectroscopy measurements. All the possible rare-earth tritellurides (RTe3) ranging from R = La–Nd, Sm, Gd–Tm were synthesized through a chemical vapor transport technique to achieve high quality crystals with excellent CDW characteristics. Raman spectroscopy studies successfully identify the emergence of the CDW state and transition temperature (TCDW), which offers a non-destructive method to identify their CDW response with micron spatial resolution. Temperature dependent Raman measurements further correlate how the atomic mass of metal cations and the resulting chemical pressure influence its CDW properties and offer detailed insight into the strength of CDW amplitude mode-phonon coupling during the CDW transition. Angle-resolved Raman measurements offer the first insights into the CDW-phonon symmetry interplay by monitoring the change in the symmetry of phonon mode across the CDW transition. Overall results introduce the library of RTe3 CDW materials and establish their characteristics through the non-destructive angle-resolved Raman spectroscopy technique.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Transport coefficient approach for characterizing nonequilibrium dynamics in soft matter

Nonequilibrium states in soft condensed matter require a systematic approach to characterize and model materials, enhancing predictability and applications. Among the tools, X-ray photon correlation spectroscopy (XPCS) provides exceptional temporal and spatial resolution to extract dynamic insight into the properties of the material. However, existing models might overlook intricate details. We introduce an approach for extracting the transport coefficient, denoted as $J(t)$, from the XPCS studies. This coefficient is a fundamental parameter in nonequilibrium statistical mechanics and is crucial for characterizing transport processes within a system. Our method unifies the Green–Kubo formulas associated with various transport coefficients, including gradient flows, particle–particle interactions, friction matrices, and continuous noise. We achieve this by integrating the collective influence of random and systematic forces acting on the particles within the framework of a Markov chain. We initially validated this method using molecular dynamics simulations of a system subjected to changes in temperatures over time. Subsequently, we conducted further verification using experimental systems reported in the literature and known for their complex nonequilibrium characteristics. The results, including the derived $J(t)$ and other relevant physical parameters, align with the previous observations and reveal detailed dynamical information in nonequilibrium states. This approach represents an advancement in XPCS analysis, addressing the growing demand to extract intricate nonequilibrium dynamics. Further, the methods presented are agnostic to the nature of the material system and can be potentially expanded to hard condensed matter systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Criticality and Phase Classification for Quadratic Open Quantum Many-Body Systems

Here we study the steady states of translation-invariant open quantum many-body systems governed by Lindblad master equations, where the Hamiltonian is quadratic in the ladder operators, and the Lindblad operators are either linear or quadratic and Hermitian. These systems are called quasifree and quadratic, respectively. We find that steady states of one-dimensional systems with finite-range interactions necessarily have exponentially decaying Green’s functions. For the quasifree case without quadratic Lindblad operators, we show that fermionic systems with finite-range interactions are noncritical for any number of spatial dimensions and provide bounds on the correlation lengths. Quasifree bosonic systems can be critical in D > 1 dimensions. Last, we address the question of phase transitions in quadratic systems and find that, without symmetry constraints beyond invariance under single-particle basis and particle-hole transformations, all gapped Liouvillians belong to the same phase.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Microtopography‐induced transient waterlogging affects switchgrass (Alamo) growth in the lower coastal plain of North Carolina, USA

Abstract Very limited information is currently available on growth responses of switchgrass (lowland cultivars) to transient waterlogging in lowland or poorly drained areas. This study investigated impacts of microtopography‐induced transient waterlogging on switchgrass (Alamo cultivar) growth, represented by leaf‐level gas exchange and biomass yield, in an established experimental field located in the Atlantic coastal plain of North Carolina, USA . Intensive leaf‐level gas exchange measurements were conducted on switchgrass at paired spots with distinct elevations in three sub‐blocks. Aboveground biomass was randomly collected across the study field to explore the potential impacts of the transient waterlogging on biomass yield. The sum of excess water ( SEW ) was calculated based on measured instantaneous water table depth to generalize the relationship between biomass yield and intensity of transient waterlogging. Results showed significant ( P ≤ 0.0001) treatment effects on leaf‐level gas exchange, characterized by evident reduction in both CO 2 assimilation rate and stomatal conductance when water table was at or near the soil surface at low positions. Negative impacts of transient waterlogging on leaf‐level gas exchange became more evident with the increasing of elevation differences between paired subplots. Stomatal closure was found to be the main mechanism responsible for the decline of net assimilation under transient waterlogging. Aboveground biomass yields of switchgrass showed relatively high spatial variability and were positively and linearly correlated with microtopography (represented by elevation in the analysis) ( P < 0.03, R 2 > 0.77). Further analysis showed that biomass yields were negatively correlated with SEW ( P < 0.001, R 2 > 0.6) with an exponential relationship. Results of this study strongly demonstrated transient waterlogging could negatively affect switchgrass growth by suppressing leaf‐level gas exchange rates and ultimately reducing biomass yield. Findings from this study have critical implications for evaluating the economic viability of growing switchgrass on marginal lands that are subject to transient waterlogging stresses.

Tian, Shiying↗
DOE OSTI2023

Crowdsourcing Felt Reports Using the MyShake Smartphone App

MyShake is a free citizen science smartphone app that provides a range of features related to earthquakes. Features available globally include rapid postearthquake notifications, live maps of earthquake damage as reported by MyShake users, safety tips, and various educational features. The app also uses the accelerometer in the mobile device to detect earthquake shaking, and to record and submit waveforms to a central archive. In addition, MyShake delivers earthquake early warning alerts in California, Oregon, and Washington. Here, in this study, we compare the felt shaking reports provided by MyShake users in California with the U.S. Geological Survey’s (USGSs) “Did You Feel It?” intensity reports. The MyShake app simply asks, “What strength of shaking did you feel?” and users report on a five-level scale. When the MyShake reports are averaged in spatial or time bins, we find strong correlation with the Modified Mercalli Intensity scale values reported by the USGS based on the DYFI surveys. The MyShake felt reports can therefore contribute to the creation of shaking intensity maps.

58 GEOSCIENCES↗
DOE OSTI2019

Data Assessment and Assimilation for Atmospheric Radiation Measurement Data Using Dynamic Bayesian Networks

A data-driven machine learning approach to scientific sensor data assessment may automatically learn directly from the structural and temporal patterns in abundant observations. The project has developed data assessment and assimilation models to screen datasets using dynamic Bayesian network (DBN) and deep learning (DL) methods, which rely on correlations between variables, across time, and between spatial locations, to detect poor or invalid data with a high degree of confidence.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Thermal Design of Hybrid Materials Produced via Ultrasonic Additive Manufacturing

Here, ultrasonic additive manufacturing (UAM) is a technique for producing three-dimensional components through the metallurgical bonding of successive layers of metal foil. Due to its ability to process at low temperatures, UAM is uniquely suited for building hybrid materials. In this study, AA6061+water hybrid blocks with varying water cavity sizes were produced and their thermal performances were measured. Nonoptimal processing parameters were used to understand the interaction between interlayer porosity and thermal diffusivity of bulk material containing both solid and liquid. Flash thermography was used to characterize the spatial distribution of thermal diffusivity for each part. The average thermal diffusivity was successfully compared to a simplified thermal resistor model. The spatial variation in thermal properties was also correlated to specific interlayer features and related back to interactions between process characteristics and the component geometry.

36 MATERIALS SCIENCE↗