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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Topological structure and dynamics of three-dimensional active nematics

Topological structures are effective descriptors of the nonequilibrium dynamics of diverse many-body systems. For example, motile, point-like topological defects capture the salient features of two-dimensional active liquid crystals composed of energy-consuming anisotropic units. We dispersed force-generating microtubule bundles in a passive colloidal liquid crystal to form a three-dimensional active nematic. Light-sheet microscopy revealed the temporal evolution of the millimeter-scale structure of these active nematics with single-bundle resolution. The primary topological excitations are extended, charge-neutral disclination loops that undergo complex dynamics and recombination events. Our work suggests a framework for analyzing the nonequilibrium dynamics of bulk anisotropic systems as diverse as driven complex fluids, active metamaterials, biological tissues, and collections of robots or organisms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Topology induced crossover between Langevin, subdiffusion, and Brownian diffusion regimes in supercooled water

Despite extensive studies of supercooled water, it remains challenging to understand its peculiar dynamic anomalous properties. In this work, we integrated full atomistic simulations of supercooled water over the temperature range of room temperature to 200 K using a quantum-mechanics-based polarizable force field with the dressed dynamics method that couples fast collision events and slow reorganization dynamics of hydrogen-bond networks. Our analysis unveils the salient multiscale features in the transient relaxation dynamics of supercooled water. A classical Langevin behavior dominates at fast timescales, while long-time relaxations unveil two different activation barriers in two temperature regions: below and above 230 K. The modulation of the entropy spectrum by temperature is elucidated in terms of a three-state model underlined by the complexity of the water dynamics associated with a topological transition of a strong hydrogen-bond network. This state-dependent network topology is quantitatively characterized by power-law exponents of inverse network connectivity from 200 to 298 K. Finally, this work provides valuable guidance for further studies on the transient relaxation dynamics of supercooled water.

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

Development of Multiresolution Capabilities for the Holistic Energy Resource Optimization Network (HERON) tool A progress update

INL researchers work on technoeconomic analyses for integrated energy systems (IES) using the Framework for Optimization of ResourCes and Economics (FORCE). Within FORCE, researchers use the Holistic Energy Resource Optimization Network (HERON) tool to conduct optimization of grid portfolios under uncertain market conditions. These optimizations determine optimal capacities for all IES components and strategies for resource dispatch which maximize some economic metric (e.g., net present value). Resource dispatch occurs on finer timescales (typically hours) and thus are asked to respond to a given time series (e.g. hourly load demand profiles for a grid, or pre-determined electricity prices). Volatile and complex bidding dynamics as well as poorly forecasted weather events within deregulated markets add uncertainty to the time series; FORCE can address this uncertainty by training a reduced order model on historical time series and generate unique synthetic time series which represent individual scenarios or realizations of the market. The IES configuration can be simulated under these different sampled realizations and a stochastic optimization is conducted which optimizes the expected value of the desired economic metric. The training of a synthetic time series generator is limited by the chosen time resolution; dynamics can occur on different time scales. Seasonal demand trends can dominate faster dynamical events (such as power outages from certain sectors or severe weather events) which might not get captured correctly by the trained model. In this report, we investigate different ways of addressing the training and generation of time series on multiple time scales using three main algorithms: wavelet decomposition, dynamic mode decomposition, and generative adversarial networks for time series. We demonstrate a time series analysis that yields information on not just the frequency space but also temporal space: where a fast Fourier transform can provide what frequencies dominate, the new algorithms can provide when the frequencies dominate as well. These analyses can help improve IES optimization by allowing researchers to couple simulations at different timescales when it is most needed - seasonal, day-ahead, and real time optimization - with greater computational efficiency. Future work will include implementation of a subset of the proposed algorithms into the FORCE toolset and application of these analyses into multiple timescale optimization.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Sensitivity of puff dynamics and airborne droplet nuclei distribution to variations in violent expiration events

Here, we use large eddy simulations to investigate the puff and droplet dynamics from violent expiratory events such as coughs and sneezes in the first few seconds following an ejection. For each of the eleven simulations considered, over 60,000 droplets are ejected and individually tracked using the point-particle Euler–Lagrange approach. We test the sensitivity of the puff and droplet dynamics to various parameters including the ejection volume, momentum, and orientation. We also explore the effect of the mouth shape on the aforementioned dynamics by considering elliptical and circular inlet cross-sections. The results from the simulations compare favorably with a recent theoretical framework put forth by Balachandar et al. in terms of the puff size and propagation velocity. More importantly however, the theory is able to accurately predict the number and size spectra of the potentially virus-laden droplet nuclei that remain airborne within the puff. We observe that the ejection angle and mouth shape do not significantly affect the puff and droplet dynamics. Additionally, we quantify the carrying capacity of the detached puff portions in terms of the number and size spectra of droplets/droplet nuclei suspended within.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Simulation of Compound Flooding Using River‐Ocean Two‐Way Coupled E3SM Ensemble on Variable‐Resolution Meshes

Abstract Coastal zone compound flooding (CF) can be caused by the interactive fluvial and oceanic processes, particularly when coastal backwater propagates upstream and interacts with high river discharge. The modeling of CF is limited in existing Earth System Models (ESMs) due to coarse mesh resolutions and one‐way coupled river‐ocean components. In this study, we present a novel multi‐scale coupling framework within the Energy Exascale Earth System Model (E3SM), integrating global atmosphere and land with interactively coupled river and ocean models using different meshes with refined resolutions near the coastline. To evaluate this framework, we conducted ensemble simulations of a CF event (Hurricane Irene in 2011) in a Mid‐Atlantic estuary. The results demonstrate that the novel E3SM configuration can reasonably reproduce river discharge and sea surface height variations. The two‐way river‐ocean coupling improves the representation of coastal backwater effects at the terrestrial‐aquatic interface that are caused by the combined actions of tide and storm surge during the CF event, thus providing a valuable modeling tool for better understanding the river‐estuary‐ocean dynamics in extreme events under climate change. Notably, our results show that the most significant CF impacts occur when the highest storm surge generated by a tropical cyclone meets with a moderate river discharge. This study highlights the state‐of‐the‐art advancements developed within E3SM for simulating multi‐scale coastal processes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Compound Mesoscale Convective Systems and Low‐Pressure Systems in Tropical Monsoon Regions: Assessing Their Meteorology and Precipitation

Mesoscale convective systems (MCS) and low-pressure systems (LPS) are both strongly associated with precipitation across the regions where they occur, particularly within global monsoon systems; however, their co-occurrence and its relationship to precipitation have not been systematically examined. Here, we use LPS and MCS trackers to detect compound MCS and LPS events in five monsoon regions and assess the association of this co-occurrence with anomalies of winds, precipitation, and other atmospheric variables. Additionally, we investigate the spatial distribution of precipitating MCS and LPS events. Our results show that most (∼60%) MCS and LPS co-occurrences are located in the lower latitudes, where they contribute up to 40% of annual precipitation. We find that compound events generally produce more extreme precipitation than MCS-only or LPS-only events. Furthermore, our assessment of the synoptic and mesoscale composites reveals that the underlying dynamics of compound events exhibit anomalously positive convective available potential energy and an anomalously low-pressure within the location of the event. In terms of the synoptic environment of the features, the compound MCS and LPS events are associated with inverted troughs in three out of five monsoon locations assessed.

Environmental sciences↗
DOE OSTI2022

Smart Charging for Electric Ride-Hailing Vehicles using Renewables: A San Francisco Case Study

Charging large fleets of electric ride-hailing vehicles (ERVs) is a complex matter that could serve different objectives: lower carbon dioxide emissions, lower monetary expenditures, or maximize solar photovoltaics (PV) energy consumption. Currently, it is unclear how each of those objectives could impact the business and performance of a ride-hailing fleet. In order to fill this gap, this article employs a dynamic transportation model: a smart charging simulation that combines agent-based, discrete-event, and system dynamic modelling by comparing the above-mentioned objectives in separate scenarios. The results show that each scenario successfully manages to shift between 34% and 87% of all load to hours of the day when the objectives of those scenarios are met. Therefore, in comparison to the baseline, smart charging can save between 5% and 26% of monthly emissions and between 4% and 57% of monthly expenditures. The solar PV scenario, however, results in the highest savings, while ensuring profitable economics via net metering in the short- as well as long term. Finally, the sensitivity analysis points to important trade-offs between several fleet performance metrics. The article concludes by giving business and policy recommendations for maximising the economic, energy and environmental efficiency of large ERV fleets.

ADVANCED PROPULSION SYSTEMS,SOLAR ENERGY↗
DOE OSTI2022

Computer Science Research Needs for Parallel Discrete Event Simulation (PDES)

Historically, scientific computing efforts have demonstrated the clear need for, and effective use of, supercomputing with traditional time-stepped simulations. Nevertheless, there are several areas in the mission spaces of the U.S. Department of Energy and other agencies waiting to tap advanced computing research using a different, discrete event style of modeling, simulation, and analysis. These span a wide spectrum of applications including energy grid resilience, urban planning and policy, transportation science, building technologies, emergency response and planning, environmental impact analysis, computational epidemiology, Internet communications, cyber security, and cyber-physical systems, to name only a few. Even within traditional scientific applications, the role of discrete event modes of execution is increasing in the form of new event-based mathematical solvers such as quantized state integration methods and discrete-continuous hybrid system solvers. Co-design of advanced supercomputing hardware systems is another area that exploits discrete event simulation at its core for effective analyses. Complex systems, entity behaviors and interconnections play a significant role in all these applications, which are mapped to large-scale models with discrete event formulations. To make advancements in all the aforementioned scientific areas, many technical aspects need to be more thoroughly studied and deeply understood in parallel discrete event simulation (PDES). The unique dynamics inherent in a discrete event modeling approach, by their very nature, intersect and influence the entire stack of the computing system, including (a) the unique nature of the instruction sets exercised in PDES workloads without a predominance of high-precision floating point operations, (b) virtual time-constrained multi-threaded execution of many logical processes per processor, (c) extremely variable and difficult to predict network traffic characteristics, (d) interfaces and inter-dependencies with machine learning and artificial intelligence codes at higher software layers, and (e) highly challenging load balancing needs, especially in effectively accounting for accelerated/extremely heterogeneous computing in current and future high-performance computing systems. Efficient and accurate parallel execution of PDES workloads is also dominated by challenges in dealing with their asynchronous concurrency fundamentally present at the model level. Conservative synchronization, optimistic/speculative synchronization, and their hybrid schemes open new questions in fundamental computer science with respect to reversibility of computation and prediction (lookahead) of behaviors inherent within model codes. On the implementation front, there are relatively few scalable, general-purpose parallel discrete event simulators in the world, and even fewer have been studied on emerging hardware platforms. To enable scientific advances using PDES, the research needs in computer science must also be pursued and met in the intersection of the algorithmic and hardware-aware aspects of scalable PDES engines. This report is aimed at capturing a computer science-oriented view of this important area of research in PDES, presenting a sample of important applications with their inherent discrete event technology elements. Needs are outlined in core areas of parallel discrete event research as well as cross-cutting directions in computer science research that positively impact scientific advancements across several important application areas. A selection of priority research opportunities in advanced computing for PDES is identified to serve as reference for key research topics and their order of importance for scientific advancements.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Predicting rare events using neural networks and short-trajectory data

Estimating the likelihood, timing, and nature of events is a major goal of modeling stochastic dynamical systems. When the event is rare in comparison with the timescales of simulation and/or measurement needed to resolve the elemental dynamics, accurate prediction from direct observations becomes challenging. In such cases a more effective approach is to cast statistics of interest as solutions to Feynman-Kac equations (partial differential equations). Here, we develop an approach to solve Feynman-Kac equations by training neural networks on short-trajectory data. Our approach is based on a Markov approximation but otherwise avoids assumptions about the underlying model and dynamics. This makes it applicable to treating complex computational models and observational data. Additionally, we illustrate the advantages of our method using a low-dimensional model that facilitates visualization, and this analysis motivates an adaptive sampling strategy that allows on-the-fly identification of and addition of data to regions important for predicting the statistics of interest. Finally, we demonstrate that we can compute accurate statistics for a 75-dimensional model of sudden stratospheric warming. This system provides a stringent test bed for our method.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Enhanced dynamic equivalent identification method of large-scale power systems using multiple events

The increasing complexity of the interconnected power system makes high-fidelity dynamic simulation models computationally more intensive. To improve computation efficiency, model reduction techniques have been investigated to only preserve the dynamics in a limited area of interest (study area), while deriving equivalent representation for the external area. For this purpose, a measurement-based reduction approach using system identification techniques has been previously proposed. Accordingly, external areas are represented by dynamic equivalent loads using transfer function estimation. In this paper, in order to enhance the accuracy of the reduced model in preserving dynamics of the study area, multiple “grid” events of different types and at different locations are considered for identifying the parameters of the equivalent loads. Additionally, case studies are carried out in the NPCC 140-bus system. Comparisons are made between multiple events training and single event training, highlighting the advantages of the proposed method in providing a better representation of the grid dynamics under different operating conditions.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Enhanced Dynamic Equivalent Identification Method of Large-Scale Power Systems Using Multiple Event

The increasing complexity of the interconnected power system makes high-fidelity dynamic simulation models computationally more intensive. To improve computation efficiency, model reduction techniques have been investigated to only preserve the dynamics in a limited area of interest (study area), while deriving equivalent representation for the external area. For this purpose, a measurement-based reduction approach using system identification techniques has been previously proposed. In that case, external areas are represented by dynamic equivalent loads using transfer function estimation. In this paper, in order to enhance the accuracy of the reduced model in preserving dynamics of the study area, multiple “grid” events of different types and at different locations are considered for identifying the parameters of the equivalent loads. Case studies are carried out in the NPCC 140-bus system. Comparison are made between multiple events training and single event training, highlighting the advantages of the proposed method in providing a better representation of the grid dynamics under different operating conditions.

Xue, Yaosuo↗
DOE OSTI2020

A robust measure of event isotropy at colliders

We introduce a new event shape observable — event isotropy — that quantifies how close the radiation pattern of a collider event is to a uniform distribution. This observable is based on a normalized version of the energy mover’s distance, which is the minimum “work” needed to rearrange one radiation pattern into another of equal energy. We investigate the utility of event isotropy both at electron-positron colliders, where events are compared to a perfectly spherical radiation pattern, as well as at proton-proton colliders, where the natural comparison is to either cylindrical or ring-like patterns. Compared to traditional event shape observables like sphericity and thrust, event isotropy exhibits a larger dynamic range for high-multiplicity events. This enables event isotropy to not only distinguish between dijet and multijet processes but also separate uniform N-body phase space configurations for different values of N. As a key application of this new observable, we study its performance to characterize strongly-coupled new physics scenarios with isotropic collider signatures.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Evaluating Contemporary and Future-Scenario Substantial-Precipitation Events in the Missouri River Basin Using Object-Oriented Analysis

The Missouri River Basin is the largest single river basin in the United States, and, as such, it plays an important role in natural ecosystems as well as the country’s economy, through agriculture, hydroelectric power generation, and transportation. Episodes of heavy precipitation can have a substantial negative impact on all these aspects of the basin, so understanding how well these episodes are simulated and projected to change in the future climate is important. We analyzed contemporary and projected mid-century behavior of heavy-precipitation episodes using an object-oriented analysis to diagnose short-term (≥5-day) and extended-period (≥30-day) events with substantial precipitation, using PRISM gridded, observed precipitation and RegCM4 regional-climate simulations that used outputs from two different GCMs for boundary conditions. The simulations were produced for the North American portion of the CORDEX program. A 25 km grid was used for the simulations and for aggregated PRISM precipitation. Overall, the simulated contemporary-climate events compared favorably with the PRISM events’ frequency and duration. The simulated event areas tended to be larger than the areas in the PRISM events, suggesting that the effective resolution of the simulations is greater than 25 km. Event areas and durations change little going from contemporary to scenario climate. The short-term events increase in frequency by an amount commensurate with the increase in mean precipitation simulated for the basis. However, the extended-term events showed little change in frequency, despite the average precipitation increase. Roughly half the extended-period events overlapped with at least one short-term event in both the observations and the simulations. Extended-period events that overlap a short-term event generally have larger areas and longer durations compared to their counterparts with no overlapping short-term events. Understanding the climate dynamics yielding the two types of extended-period events could be useful for assessing future changes in the Missouri River Basin’s heavy precipitation events and their impact.

Fisel, Brandon J.↗
DOE OSTI2020

Dynamics and drivers of land use and land cover changes in Bangladesh

Abstract Bangladesh has undergone dramatic land use and land cover changes (LULCC) in recent years, but no quantitative analysis of LULCC drivers at the national scale exists so far. Here, we quantified the drivers of major LULCC in combination with biophysical and socioeconomic observations at the sub-district level. We used Landsat satellite data to interpret LULCC from 2000 to 2010 and employed a Global Surface Water Dataset to account for the influences of water seasonality. The results suggest that major LULCC in Bangladesh occur between agricultural land and waterbodies and between forest and shrubland. Exclusion of seasonal waterbodies can improve the accuracy of our LULCC results and driver analysis. Although the gross gain and loss of agricultural land are large on the local scale, the net change (gross gain minus gross loss) at a country scale is almost negligible. Climate dynamics and extreme events and changes in urban and rural households were driving the changes from forest to shrubland in the southeast region. The conversion from agricultural land to standing waterbodies in the southwest region was mainly driven by urban household dynamics, population growth, distance to cities and major roads, and precipitation dynamics. This study, which is the first effort accounting for water seasonality and quantifying biophysical and socioeconomic drivers of LULCC at the national scale, provides a perspective on overall LULCC and underlying drivers over a decadal time scale and national spatial scale and can serve as a scientific basis for developing land policies in Bangladesh.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

River Geomorphology Affects Biogeochemical Responses to Hydrologic Events in a Large River Ecosystem

Shifts in the frequency and intensity of high discharge events due to climate change may have important consequences for the hydrology and biogeochemistry of rivers. However, our understanding of event-scale biogeochemical dynamics in large rivers lags that of small streams. To fill this gap, we used high-frequency sensor data collected during four consecutive summers from a main channel and backwater site of the Upper Mississippi River. We identified high discharge events and calculated event concentration-discharge responses for both physical-chemical (nitrate, turbidity, and fluorescent dissolved organic matter) and biological (chlorophyll-a and cyanobacteria) constituents using metrics of hysteresis and slope. We found a range of responses across events, particularly for nitrate. Although fluorescent dissolved organic matter (FDOM) and turbidity exhibited more consistent responses across events, contrasting hysteresis metrics indicated that FDOM was flushed to the river from more distant sources than turbidity. Biological responses (chlorophyll a and cyanobacteria) differed more between sites than physical and chemical constituents. Lastly, we found that the event characteristics best explaining concentration responses differed between sites, with event magnitude more frequently related to responses in the main channel, and antecedent wetness conditions associated with response variation in the backwater. Furthermore, our results indicate that event responses in large rivers are distinct across the diverse habitats and biogeochemical components of a large floodplain river, which has implications for local and downstream ecosystems as the climate shifts.

54 ENVIRONMENTAL SCIENCES↗