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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Dual Impacts of Space Heating Electrification and Climate Change Increase Uncertainties in Peak Load Behavior and Grid Capacity Requirements in Texas

Around 60% of households in Texas currently rely on electricity for space heating. As decarbonization efforts increase, non‐electrified households could adopt electric heat pumps, significantly increasing peak (highest) electricity demand in winter. Simultaneously, anthropogenic climate change is expected to increase temperatures, the potential for summer heat waves, and associated electricity demand for cooling. Uncertainty regarding the timing and magnitude of these concurrent changes raises questions about how they will jointly affect the seasonality of peak demand, firm capacity requirements, and grid reliability. This study investigates the net effects of residential space heating electrification and climate change on long‐term demand patterns and load shedding potential, using climate change projections, a predictive load model, and a direct current optimal power flow (DCOPF) model of the Texas grid. Results show that full electrification of residential space heating by replacing existing fossil fuel use with higher efficiency heat pumps could significantly improve reliability under hotter futures. Less efficient heat pumps may result in more severe winter peaking events and increased reliability risks. As heating electrification intensifies, system planners will need to balance the potential for greater resource adequacy risk caused by shifts in seasonal peaking behavior alongside the benefits (improved efficiency and reductions in emissions).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

Spatiotemporal structure of edge harmonic oscillation and its role in ELM-free QH-mode at KSTAR

In Quiescent H-mode (QH-mode), edge-localized modes (ELMs) are naturally replaced by a low-n edge harmonic oscillation (EHO), yet the self-regulating transport mechanism driven by the EHO remains insufficiently understood. Using high-spatiotemporal-resolution imaging diagnostics on KSTAR—electron cyclotron emission imaging and broadband electron cyclotron emission—we resolve the eigenmode structure of the EHO and elucidate its regulatory role in edge transport. The EHO is localized within the pedestal near the maximum pressure gradient, propagates in the ion-diamagnetic direction, and its radial envelope expands with increasing shear, suggesting that rotational shear is closely associated with the structural evolution of the EHO. Information-theoretic Transfer Entropy analysis identifies a distinct ‘dual-stabilization’ regulatory interaction pattern: the EHO is associated with enhanced outward energy transport to limit the pressure gradient, while the background shear flow is associated with preferential regulatory influence on the EHO saturation amplitude and energy flux. These results demonstrate that the QH-mode pedestal is sustained by a shear-associated regulation mechanism, where the coupling between rotational shear and mode structure appears closely linked to the sustained ELM-free state.

ECEI↗
DOE OSTI2021

GOTHIC Aerosol Source Depletion Studies

Pacific Northwest National Laboratory has continued work to develop an aerosol-laden flow modeling capability with the Generation of Thermal Hydraulic Information in Containment (GOTHIC TM ) computer code to perform simulations for thermal hydraulic conditions and aerosol transport and deposition in spent fuel casks. This report describes our recent work to expand our model that was originally developed in 2019 to allow for thermal characterization, carrier gas flow determination, and tracking of particulate behavior throughout the entire canister volume. This was achieved through conversion of decay heat source in all fuel tubes within the model from heaters to thermal conductors in GOTHIC as well as remeshing the internal volume of the canister. These model improvements allowed for simulations of base case scenarios for comparison of similar efforts by our collaborators with alternative tools at Sandia and Oak Ridge. Several characteristics of the GOTHIC code were elucidated by this effort and were documented for consideration in how the code is used for this effort moving forward. For instance, treatment of particle size distributions, initial spatial distributions, mesh gradients, and minimum volume concentrations were identified as important issues for consideration. Ultimately, the current version of the code is capable of tracking temperatures, flow rates, and particle behavior throughout the canister internal volume. This report presents predicted depletion times and preferred deposition patterns within the canister. Additionally, this report documents code performance and insights for further model development and use for comparisons to other codes and for predicting system behavior in experiments being performed and planned by our collaborators.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Branched High Aspect Ratio Nanostructures Fabricated by Focused Helium Ion Beam Induced Deposition of an Insulator

Helium ion beam induced deposition using the gaseous precursor pentamethylcyclopentasiloxane is employed to fabricate high aspect ratio insulator nanostructures (nanopillars and nanocylinders) that exhibit charge induced branching. The branched nanostructures are analyzed by transmission electron microscopy. It is found that the side branches form above a certain threshold height and that by increasing the flow rate of the precursor, the vertical growth rate and branching phenomenon can be significantly enhanced, with fractalesque branching patterns observed. The direct-write ion beam nanofabrication technique described herein offers a fast single-step method for the growth of high aspect ratio branched nanostructures with site-selective placement on the nanometer scale.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Process-oriented evaluation of quasi-stationary Rossby waves and their impact on surface air temperature extremes in dynamical downscaling over North America

Quasi-stationary Rossby waves are a crucial component of the general circulation and play a significant role in regional water and energy cycles, as well as in extreme events. However, process-oriented evaluation for Rossby waves is rarely performed for dynamical downscaling simulations. To close this gap, we evaluate three classes of dynamical downscaling approaches, with a focus on quasi-stationary Rossby waves and their impact on surface air temperature over North America during Northern Hemisphere summer. The three classes of models differ in the way large-scale forcing is provided: a limited-area model (LAM) constrained only by lateral boundary conditions, represented by RegCM4 from the North American branch of the Coordinated Regional Downscaling Experiment (NA-CORDEX), a LAM with spectral nudging to maintain consistency in large-scale dynamics with the forcing data, represented by the Weather Research and Forecasting (WRF) model simulation in NA-CORDEX, and a global variable-resolution model with smoothly varying grid spacings, represented by the Community Atmosphere Model version 5.4, with the Model for Prediction Across Scales (MPAS) as its dynamical core (CAM-MPAS). With no constraints on the atmospheric dynamics, CAM-MPAS exhibits several mean biases in the upper-level circulations over the Pacific Coast region: a weaker subtropical jet, a northward-shifted mid-latitude jet, and an overestimated southerly flow. With the lateral boundary constraint alone, RegCM4 also exhibits weaker jets and overestimated southerly winds off the West Coast. Rossby ray theory reveals that those wind biases direct incoming Rossby waves northward. The erroneously routed Rossby waves distort the relationship between the accumulation of wave activity over the US West Coast and surface temperature anomalies over the Southern Great Plains, which emerges approximately 4 d after the convergence of wave-activity flux in the ERA-Interim reanalysis. Furthermore, the response of heatwaves to the extreme wave activity flux is not reproduced by the two models, a serious drawback as a dynamical downscaling framework is expected to connect large-scale forcing to local-scale phenomena. The WRF model employing spectral nudging is largely free from the aforementioned problems. A pair of sensitivity simulations suggests that spectral nudging is the key to improving the dynamics of quasi-stationary Rossby waves and their impact on surface air temperature. Our results also demonstrate the effectiveness of Rossby wave diagnostics that allow for realistic background flows for assessing the credibility of dynamical downscaling over North America, where incoming Rossby waves propagate through complex circulation patterns before traveling across the continent.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Using Direct Numerical Simulation of Pore-Level Events to Improve Pore-Network Models for Prediction of Residual Trapping of CO2

Direct numerical simulation and pore-network modeling are common approaches to study the physics of two-phase flow through natural rocks. For assessment of the long-term performance of geological sequestration of CO 2 , it is important to model the full drainage-imbibition cycle to provide an accurate estimate of the trapped CO 2 . While direct numerical simulation using pore geometry from micro-CT rock images accurately models two-phase flow physics, it is computationally prohibitive for large rock volumes. On the other hand, pore-network modeling on networks extracted from micro-CT rock images is computationally efficient but utilizes simplified physics in idealized geometric pore elements. This study uses the lattice-Boltzmann method for direct numerical simulation of CO 2 -brine flow in idealized pore elements to develop a new set of pore-level flow models for the pore-body filling and snap-off events in pore-network modeling of imbibition. Lattice-Boltzmann simulations are conducted on typical idealized pore-network configurations, and the interface evolution and local capillary pressure are evaluated to develop modified equations of local threshold capillary pressure of pore elements as a function of shape factor and other geometrical parameters. The modified equations are then incorporated into a quasi-static pore-network flow solver. The modified model is applied on extracted pore-network of sandstone samples, and saturation of residual trapped CO 2 is computed for a drainage-imbibition cycle. The modified model yields different statistics of pore-level events compared with the original model; in particular, the occurrence of snap-off in pore-throats is reduced resulting in a more frontal displacement pattern along the main injection direction. Compared to the original model, the modified model is in closer agreement with the residual trapped CO 2 obtained from core flow experiments and direct numerical simulation.

Kohanpur, Amir H.↗
DOE OSTI2020

Patterned electrode catalyst

Disclosed herein are embodiments of a patterned electrode comprising regions of catalyst and segregating regions that separate the regions of catalyst. The segregating regions may be regions of non-catalytic material. The catalyst regions may correspond to the channels of a flow field. The electrode provides improved fuel cell performance, particularly at high current densities. The electrode may be for all suitable applications, such as in a membrane electrode assembly and/or a fuel cell. Also disclosed is a method for making the patterned electrode. The method may comprise using masks to apply the catalyst and non-catalyst material to a substrate.

Macauley, Natalia↗
DOE OSTI2021

Biological mechanisms may contribute to soil carbon saturation patterns

Increasing soil organic carbon (SOC) storage is a key strategy to mitigate rising atmospheric CO 2 , yet SOC pools often appear to saturate, or increase at a declining rate, as carbon (C) inputs increase. Soil C saturation is commonly hypothesized to result from the finite amount of reactive mineral surface area available for retaining SOC, and is accordingly represented in SOC models as a physicochemically determined SOC upper limit. However, mineral-associated SOC is largely microbially generated. In this perspective, we present the hypothesis that apparent SOC saturation patterns could emerge as a result of ecological constraints on microbial biomass—for example, via competition or predation—leading to reduced C flow through microbes and a reduced rate of mineral-associated SOC formation as soil C inputs increase. Microbially explicit SOC models offer an opportunity to explore this hypothesis, yet most of these models predict linear microbial biomass increases with C inputs and insensitivity of SOC to input rates. Synthesis of 54 C addition studies revealed constraints on microbial biomass as C inputs increase. Different hypotheses limiting microbial density were embedded in a three-pool SOC model without explicit limits on mineral surface area. As inputs increased, the model demonstrated either no change, linear, or apparently saturating increases in mineral-associated and particulate SOC pools. Taken together, our results suggest that microbial constraints are common and could lead to reduced mineral-associated SOC formation as input rates increase. We conclude that SOC responses to altered C inputs—or any environmental change—are influenced by the ecological factors that limit microbial populations, allowing for a wider range of potential SOC responses to stimuli. Understanding how biotic versus abiotic factors contribute to these patterns will better enable us to predict and manage soil C dynamics.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Title Coherent X-ray Studies of Surface Growth and Patterning Processes

X-ray Photon Correlation Spectroscopy (XPCS) is being developed as a tool to study nanoscale dynamics of fluctuations during thin film growth and surface patterning. XPCS examines the evolution of the X-ray scattering speckle pattern in reciprocal space to reveal dynamics information not accessible through any other means. Unlike low-coherence conventional X-ray scattering, which incoherently averages over different regions of a sample, coherent X-ray scattering is sensitive to the detailed structure of a given sample at that moment in time. In thin film growth processes, heterodyning, which occurs due to coherent mixing of two scattered signals, can be used to investigate the relationship between surface growth velocity and defect propagation. And, for polycrystalline thin film growth, the spatial coherence of the X-ray beam can substitute for the missing spatial coherence of the growth process to track layered growth in detail, even in a growth regime in which there are no conventional growth oscillations of the X-ray intensity. This has opened the door for detailed dynamics studies of individual atomic layers during real-world growth and patterning, not just in perfect single-crystal growth cases, which greatly expands the applicability of in-situ X-ray scattering methods. Step-flow dynamics in mounded polycrystalline growth has been studied separately for two thin film organic semiconductors deposited by thermal deposition in a vacuum environment, C60 and diindenoperylene (DIP). Highly oriented polycrystalline thin films are readily obtained in both systems, where mounds are composed of crystalline monolayer-height steps and terraces in a so-called wedding cake morphology. The formation of mounds is understood to be due to significant Ehrlich-Schwoebel step edge barriers that inhibit molecules from hopping down from one layer to the one below. The mounds exhibit local step flow, which can be monitored using coherent X-ray scattering. This is made possible due to heterodyning between scattering from the average mounds and the moving steps, which becomes visible in XPCS analysis. The effect of desorption, i.e. re-evaporation of deposited molecules is found to be important for understanding these processes. The impact of this work is to enable testing of models of step dynamics, the shape of mounds, and merging of mounds to form continuous thin films. Highly ordered polycrystalline thin films deposited on inexpensive substrates have applications in thin film solar cells and other organic electronic devices. In a separate set of experiments, speckle analysis during self-organized ion beam nanopatterning reveals memory stretching back to the beginning of patterning in the early stages and enables measurement of the velocity of self-organized patterns across surfaces providing the possibility of stringent new tests of the theory of pattern formation and motion.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Homoepitaxial growth of 9,10-diphenylanthracene

Organic single crystals are often shown to have significantly improved optoelectronic properties over polycrystalline thin films such as exciton diffusivity and carrier mobility. There is growing interest in incorporating such crystals in organic electronics despite a number of challenges. In this work, the homoepitaxial vapor phase growth modes for 9,10-diphenylanthracene (DPA) homoepitaxy are mapped as a function of growth rate and temperature using in situ ultra-low current reflection high energy electron diffraction (RHEED), X-ray diffraction (XRD), and atomic force microscopy (AFM). Vapor phase deposition was performed on free-standing single crystal DPA substrates, which show clear Kikuchi patterns. At room temperature, a transition from Frank-Van der Merwe layer-by-layer growth to step-flow growth is observed as the deposition rate is decreased, while at lower temperatures a Stranski-Krastanov layer-plus-island growth is observed. This is the first demonstration of true step-flow growth from room temperature vapor phase deposition for organic semiconductors and is reminiscent of traditional semiconductor growth regimes. Accordingly, these results could lead to improved control over growth and doping of organic single crystals, and lead to enhanced single crystal organic optoelectronic applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Hierarchical Composites Patterned via 3D Printed Cellular Fluidics

Additive manufacturing of freeform structures containing multiple materials with deterministic spatial arrangement and interactions remains a challenge for most 3D printing processes, due to complex fabrication tool requirements and limitations in printability of some material classes. Here, in this paper, a versatile method is reported to produce architected composites using the concept of cellular fluidics, in which lattices of unit cells are used as templating scaffolds to guide flowable infill materials in a programmed spatial pattern, upon which they are cured in place to produce a deterministically ordered multimaterial solid. The lattice design relies on the unit cell size, type, strut diameter, surface wetting, and distribution of cellular structures to control liquid flow and retention. Individual unit cells are tuned to achieve reliable infilling and combined into higher-order architectures to achieve multiscale composite materials with disparate mechanical properties, including those considered non-printable. Lattice design considerations for leveraging capillary phenomena and demonstrate several methods of patterning polymers in 3D-printed cellular fluidic structures are presented. The concept of tuning the compressive response of an architected composite using a flexible-elastomer as the lattice and a stiff-epoxy as the infill material is illustrated.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Reactive chemical transport simulations of geologic carbon sequestration: Methods and applications

Chemical reaction simulations are considerably used to quantitatively assess the long-term geologic carbon sequestration (GCS), such as CO 2 sequestration capacity estimations, leakage pathway analyses, enhanced oil recovery (EOR) efficiency studies, and risk assessments of sealing formations (caprocks), wellbores, and overlying underground water resources. All these require a deep understanding of the CO 2 - associated chemical reactions. To ensure long-term, safe CO 2 sequestration in the intended formations, modeling is the only way to plausibly assess the CO 2 flow, reaction, and transport over thousands of years. This review summarizes the multiple methodologies for describing homogeneous and heterogeneous chemical reaction patterns and multiscale application examples, the recent progress and current status of chemical reaction simulations for GCS, and the impact of such simulations on geological CO2 sequestration performance. Technical gaps and future challenges are also discussed for further study. The trends and challenges of such studies include: (1) the combination of coupled chemical, mechanical, and transport processes with calibrated experiments and associated uncertainty/risk assessments; (2) enhancement of the ability to simulate detailed geophysical and geochemical equations to mimic in situ conditions; and (3) characterization of multiscale subsurface systems with detailed conceptual models and assignment of suitable boundary conditions for field-scale sequestration fields. One major gap remaining is the current lack of accurate (and scale-justified) kinetic and equilibrium chemical reaction parameters under reservoir conditions. Advanced models that couple chemical, mechanical, and transport processes with scale-justified parameters, from lab to field-scale experiments, are required for quantitative assessments of sequestration capacity and the long-term safety of GCS projects.

58 GEOSCIENCES↗
DOE OSTI2020

A Mixed Length Scale Model for Migrating Fluvial Bedforms

With the expansion of hydropower, in-stream converters, flood-protection infrastructures, and growing concerns on deltas fragile ecosystems, there is a pressing need to evaluate and monitor bedform sediment mass flux. It is critical to estimate real-time bedform size and migration velocity and provide a theoretical framework to convert easily accessible time histories of bed elevations into spatially evolving patterns. In this study, we collected spatiotemporally resolved bathymetries from laboratory flumes and the Colorado River in statistically steady, homogeneous, subcritical flow conditions. Wave number and frequency spectra of bed elevations show compelling evidence of scale-dependent velocity for the hierarchy of migrating bedforms observed in the laboratory and field. New scaling laws were applied to describe the full range of migration velocities as function of two dimensionless groups based on the bed shear velocity, sediment diameter, and water depth. Further simplification resulted in a mixed length scale model estimating scale-dependent migration velocities, without requiring bedform classification or identification.

58 GEOSCIENCES↗
DOE OSTI2021

CFD-Guided Evaluation of Spark-Assisted Gasoline Compression Ignition for Cold Idle Operation

A closed-cycle, three-dimensional (3D) computational fluid dynamics (CFD) analysis campaign was conducted to evaluate the performance of using spark plugs to assist gasoline compression ignition (GCI) combustion during cold idle operations. A conventional spark plug using single-sided J-strap design was put at a location on the cylinder head to facilitate spray-guided spark assistance. Ignition was modeled with an L-type energy distribution to depict the breakdown and the arc-to-glow phases during the energy discharge process. Several key design parameters were investigated, including injector clocking, number of nozzle holes, spray inclusion angle, number of fuel injections, fuel split ratio, and fuel injection timings. The study emphasized the region around the spark gap, focusing on flame kernel formation and development and local equivalence ratio distribution. Flame kernel development and the ignition process were found to correlate strongly with the fuel stratification and the flow velocity near the spark gap. The analysis results showed that the flame kernel development followed the direction of the local flow field. In addition, the local fuel stratification notably influenced early-stage flame kernel development due to varying injection spray patterns and the fuel injection strategies. Among these design parameters, the number of nozzle holes and fuel injection timing had the most significant effects on the engine combustion performance.

42 ENGINEERING↗
DOE OSTI2022

Hydrokinetic energy conversion using flow induced oscillations of single-cylinder with large passive turbulence control

Various types of flow-induced oscillations (FIOs) have been implemented in development of marine hydrokinetic (MHK) energy converters. With passive turbulence control (PTC), energy harvesting starts at a flow speed of about 0.5 m/s. However, there is worldwide MHK energy available in even slower currents. In the present study, the effect of damping on FIO and power extraction is investigated for a converter with large turbulence stimulation (PTC) consisting of straight strips with a height of 15% of the cylinder diameter and placed symmetrically on the cylinder surface. The oscillating amplitude decreases, as the damping ratio increases, with unchanged sinusoidal pattern of the displacement time-history. The frequency ratio is also affected by damping especially in the VIV initial branch and transition region between VIV and galloping. An important flow characteristic of the large-PTC cylinder is that a recirculation region is formed behind the PTC, causing appreciable disturbance to the flow past the cylinder. Power can be harvested in the whole FIO range and the harnessed power maximum appears at the largest inflow velocity tested. However, the optimum of harnessing efficiency is located at the beginning of the VIV upper branch. The gap between VIV and galloping is bridged when large PTC is used, eliminating the drop in power and efficiency even at higher damping, which would be a weakness of regular-PTC cylinder for energy harvesting. Finally, the mechanism behind the variation of harnessing efficiency with inflow velocity and damping ratio is revealed, and the optimality criterion for the converter design is discussed.

16 TIDAL AND WAVE POWER↗
DOE OSTI2020

Mechanistic modeling of CO 2 well leakage in a generic abandoned well through a bridge plug cement-casing gap

Both known and unmapped plugged and abandoned wells are potential leakage pathways for CO 2 from geologic carbon sequestration (GCS) sites. Although many abandoned wells have cement bridge plugs installed to prevent leakage, the seal between the cement and the inner casing wall is subject to failure. In this study, we carried out detailed T2Well simulations of cases of sudden non-Darcy flow of CO 2 and brine leakage up the gap between a cement plug and the inner steel casing wall that becomes a fully connected flow path during the post-injection period. The goal of our study was two-fold: (1) to understand the dynamics, rates, and the characteristic temporal signals associated with the onset of leakage through various gap-aperture sizes, and (2) to suggest potential monitoring strategies based on the findings. Simulation results show that the leakage of CO 2 and brine upward is transient with interesting phase interference behavior. Time-dependent oscillatory flows with varying pressure, temperature, and flow rates of CO 2 and brine show strong dependence on gap aperture. Phase-change and decompression lead to very low temperatures at the top of the well for gap apertures larger than 4 mm suggesting that remote thermal monitoring at the ground surface may be an effective way of monitoring even if well locations are not known a priori. Pressure in the well is also indicative of CO 2 leakage. The temporal patterns of changing temperature and pressure may be useful diagnostic signals for leakage detection. Finally, these transient leakage signals may provide information on the cause of leakage and/or characteristics of the flow path that could inform effective remediation design and execution approaches.

58 GEOSCIENCES↗
DOE OSTI2022

Weathering of chlorite from grain to watershed: The role and distribution of oxidation reactions in the subsurface

The reaction mechanism of weathering of chlorite, an important rock-forming phyllosilicate, is not well understood in natural settings. Here, in this work we investigated the weathering of Fe-rich chlorite from deep protolith to saprock to soil across a small shale-underlain watershed in the Appalachian Mountains, USA (Shale Hills). We found that oxidation of Fe(II) in chlorite always occurs prior to dissolution of the interlayers of the mineral. The oxidation of pyrite and chlorite commence near the water table across narrow depth intervals under the upper-catchment ridges, but well below the water table across wide depth intervals under the valley. We hypothesize that these patterns can be explained by hydrological and geochemical differences between the ridge and the valley: oxygenated water descends sub-vertically (1D flow) under the ridge, while under the valley, oxygen-depleted water moves upward to the stream and laterally out of the watershed in the subsurface (3D flow). Geochemical and mineralogical characterization indicates that the transformation of Fe-rich chlorite at Shale Hills is initiated by the oxidation of Fe(II). Next, the interlayer hydroxide sheet dissolves to form hydroxy-interlayered vermiculite and then vermiculite. During the transformation, Mg and Fe are released into solution and Fe is reprecipitated as goethite in pore space. Delivery of oxygen to the deep subsurface by infiltration of meteoric water is thought to control the initial transformation of chlorite at Shale Hills. It is possible that weathering of many Fe(II)-rich minerals is initiated by oxidation as mediated by rates of subsurface oxygen delivery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗