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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Spectral signatures of transverse optical modes in semiconductor nanowires

In order to build nanophotonic devices, it is important to understand and ultimately control the optical mode structure within potential components such as nanoscale waveguides. However, experimental characterization of such modes in the optical regime is difficult due to the nanoscale dimensions of such components and the perturbations that would be induced by a near-field probe. Here, we demonstrate a probe-free, far-field method to characterize the optical modes within GaN nanowires (NWs) based on a novel off-axis scanning confocal microscope system. Using this microscope, we observe spectral signatures resulting from lateral leakage of waveguide modes when they exceed their respective cutoff limits. We identify these modes within hyperspectral images using an analytical model coupled with finite element simulations. The model can also be used to predict the spectral signatures for given geometrical and dielectric parameters, which enabled us to deduce the transverse dimension of the NW from hyperspectral images with an accuracy of ∼ <#comment/> 30 nm .

Wang, Maoji↗
DOE OSTI2021

A model-independent data assimilation (MIDA) module and its applications in ecology

Abstract. Models are an important tool to predict Earth system dynamics. An accurate prediction of future states of ecosystems depends on not only model structures but also parameterizations. Model parameters can be constrained by data assimilation. However, applications of data assimilation to ecology are restricted by highly technical requirements such as model-dependent coding. To alleviate this technical burden, we developed a model-independent data assimilation (MIDA) module. MIDA works in three steps including data preparation, execution of data assimilation, and visualization. The first step prepares prior ranges of parameter values, a defined number of iterations, and directory paths to access files of observations and models. The execution step calibrates parameter values to best fit the observations and estimates the parameter posterior distributions. The final step automatically visualizes the calibration performance and posterior distributions. MIDA is model independent, and modelers can use MIDA for an accurate and efficient data assimilation in a simple and interactive way without modification of their original models. We applied MIDA to four types of ecological models: the data assimilation linked ecosystem carbon (DALEC) model, a surrogate-based energy exascale earth system model: the land component (ELM), nine phenological models and a stand-alone biome ecological strategy simulator (BiomeE). The applications indicate that MIDA can effectively solve data assimilation problems for different ecological models. Additionally, the easy implementation and model-independent feature of MIDA breaks the technical barrier of applications of data–model fusion in ecology. MIDA facilitates the assimilation of various observations into models for uncertainty reduction in ecological modeling and forecasting.

58 GEOSCIENCES↗
DOE OSTI2022

Assessment of the Electrical Substation-Grid Testbed with Inside/Outside Devices and Distributed Ledger Technology

The electrical substation-grid testbed was created to integrate the GOOSE and/or DNP (Distributed Network Protocol) messages with time synchronized sources and Distributed Ledger Technology (DLT). The objective was to study the impact of faults and cyber-events at an electrical substation with inside (protective relays) and outside (power meters) substation devices. The electrical substation-grid testbed was based on the design of a 34.5/ 12.47 kV electrical substation (sectionalized bus configuration) with two power transformers, connected to radial power lines and load feeders. The electrical substation-grid testbed was installed at 252 lab space (Advanced Power System Protection), Grid Research Integration and Deployment Center (GRID-C), Oak Ridge National Laboratory. This testbed was created for Task 5, DarkNet project. The electrical substation-grid testbed was created to simulate fault and/or cyber events that could potentially result in damage to the electrical infrastructure. In addition, tests were run that are usually not allowed to be performed in an operational electrical power grid, because these test scenarios could trip breakers and/or generate fault situations that could potentially damage equipment. The number of tests performed in the electrical substation-grid testbed were executed in a better way than in a real electrical substation and/or power grid, because multiple tests could be run in a short period of time, and complex permits, and safety/ schedule restrictions like in a real electrical substation environment were not needed. The electrical substation-grid testbed was created using real measurement, communication, and protection devices that are used by electrical utilities, to have same conditions that we could observe in a real power grid or electrical substation. The electrical substation-grid testbed was based on using a real time simulator and expansion box with amplifiers that were wired to electrical substation-grid devices. This hardware-in-the-loop (HIL) was provided by protective relays, power meters, ethernet switches, remote terminal units, synchronized timing network clock, DLT devices, workstations, and servers. This report includes the design, installation, and assessment of the electrical substation-grid testbed that was similar to an operational electrical substation, integrating the power system protection, communication, and control systems. The results for the electrical substation-grid testbed were based on:• verifying the analog signals for protective relays and power meters, • observing the synchronized time source frame at devices, • authenticating the GOOSE (IEC 61850) and DNP messages from power meters and protective relays, and • verifying the trip conditions of protective relays at fault tests with the power system fault event detection, using DLT devices. For future work, the electrical substation-grid testbed with protective relays and power meters, using DLT and synchronized time source from DarkNet, will be used to study the impact of cyber-events at inside and outside substation devices. Advanced algorithms for detecting cyber-events produced by non-desired protective relay settings will be studied, to improve the detection and reliability of protection, control, and communication systems at power grids.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Urban Effect on Precipitation and Deep Convective Systems Over Dallas‐Fort Worth

A range of multi-year observational data sets are used to characterize the hydroclimate of the Dallas Fort-Worth area (DFW) and to investigate the impact of urban land cover on daily accumulated precipitation, RADAR composite reflectivity (cREF), and cloud top height (CTH) during the warm season. Analyses of observational data indicate rainfall rates (RR) in a 45° annulus sector 50–100 km downwind of the city are enhanced relative to an upwind area of comparable size. Enhancement of mean precipitation intensity in this annulus sector is not observed on days with spatially averaged RR > 6 mm/day. Under some flow directions, the probability of cREF >30 dBZ, occurrence of hail, and the probability of CTH >10,000 geopotential meters are also enhanced up to 200 km downwind of DFW. Two deep convection events that passed over DFW are simulated with the Weather Research and Forecasting model using a range of microphysical schemes and evaluated using RADAR observations. Model configurations that exhibit the highest fidelity in these control simulations are used in a series of perturbation experiments where the areal extent of the city is varied between zero (replacement with grassland) and eight times its current size. These perturbation experiments indicate a non-linear response of Mesoscale Convective System properties to the urban areal extent and a very strong sensitivity to the microphysical scheme used. The impact on precipitation from the urban area, even when it is expanded to eight-times the current extent, is much less marked for deep convection with stronger synoptic forcing.

58 GEOSCIENCES↗
DOE OSTI2026

An Optimized Parameterization of Sub‐Grid Scale Advection for Convection Permitting Models

Convection‐permitting models (CPMs) explicitly resolve deep convection yet under‐resolve the organized lateral exchanges among drafts and their environment that control entrainment/detrainment, precipitation efficiency, and mesoscale structure. In this work, we introduce the Optimized Advection Scheme (OAS), which introduces a small rotation of the Cartesian frame of reference for the horizontal winds relative to other variables used in advection that induces cross‐gradient transport to mimic under‐resolved convective mixing. The rotation angle is selected to minimize the Kullback–Leibler divergence between the simulated and satellite observed precipitation intensity distributions, yielding a physically consistent perturbation that is computationally inexpensive and portable. Optimized Advection Scheme is implemented in WRF and evaluated over Amazon (April 2014). It shifts precipitation–precipitable‐water joint distributions toward lighter rain, reduces overly intense rates, and improves mesoscale convective system (MCS) lifetime and propagation. Mechanistically, the added cross‐gradient transport promotes convective detrainment and environmental mixing, which cools and moistens the mid‐troposphere, weakens downward momentum transport, alleviates excessive downwelling shortwave biases, and warms the surface temperature. The optimized rotation angle yields comparable improvements at 4‐km and 1‐km grid spacing, demonstrating resolution‐independent benefits across the CPM gray zone. By targeting the dynamical root of under‐mixed convective circulations, rather than tuning model microphysics or closures, OAS delivers robust, scale‐aware improvements in precipitation statistics, cloud vertical structure, and characteristics of MCS (MCSs), offering a practical pathway to more reliable CPM simulations for weather and climate applications.

CPM↗
DOE OSTI2026

Evaluation of a high-resolution regional climate simulation for surface and hub-height wind climatology over North America

Assessing the availability of key wind resources requires augmenting observations to support the implementation of wind energy infrastructure. However, observations are limited, necessitating the development of high-resolution, long-term gridded datasets. This study presents a robust, dynamically downscaled climatological dataset, offering 20 years of hourly wind data at a 4 km spatial resolution across North America, and evaluates its performance against observations, including meteorological towers and automated surface-observing system (ASOS) stations, as well as coarse-resolution reanalysis data (the European Centre for Medium-Range Weather Forecasts (ECMWF) reanalysis version 5 (ERA5)). Results demonstrate that the downscaled high-resolution wind data outperform ERA5 in regions of complex terrain and coastal areas, with improved overlap coefficients for wind data distributions and reduced root mean square errors (RMSEs) for hub-height and near-surface diurnal wind patterns. The downscaled simulation also captures the synoptic drivers of seasonal wind direction patterns reasonably well, indicated by high wind rose similarity indices. This study also provides an analysis of interannual variability, utilizing the dataset's full 20-year period, and model uncertainty, generated by varying model initial conditions and physics parameterizations across 1-year ensemble members, which are key considerations for wind resource assessment in wind farm development.

17 WIND ENERGY↗
DOE OSTI2024

Vertically Resolved Analysis of the Madden-Julian Oscillation Highlights the Role of Convective Transport of Moist Static Energy

We simulate the Madden-Julian oscillation (MJO) over an aquaplanet with uniform surface temperature using the multiscale modeling framework (MMF) configuration of the Energy Exascale Earth System Model (E3SM-MMF). The model produces MJO-like features that have a similar spatial structure and propagation behavior to the observed MJO. To explore the processes involved in the propagation and maintenance of these MJO-like features, we perform a vertically resolved moist static energy (MSE) analysis for the MJO (Yao et al., 2022, https://doi.org/10.1175/jas-d-20-0254.1). Unlike the column-integrated MSE analysis, our method emphasizes the local production of MSE variance and quantifies how individual physical processes amplify and propagate the MJO's characteristic vertical structure. We find that radiation, convection, and boundary layer (BL) processes all contribute to maintaining the MJO, balanced by the large-scale MSE transport. Furthermore, large-scale dynamics, convection, and BL processes all contribute to the propagation of the MJO, while radiation slows the propagation. Additionally, we perform mechanism-denial experiments to examine the role of radiation and associated feedbacks in simulating the MJO. We find that the MJO can still self-emerge and maintain its characteristic structures without radiative feedbacks. This study highlights the role of convective MSE transport in the MJO dynamics, which was overlooked in the column-integrated MSE analysis.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Sampling Rare Events in Aqueous Systems Using Molecular Simulations

Birth of a new distinct phase is a phenomenon encountered in a myriad of processes, and has wide ranging consequences in material processing, biological self-assembly, separations and several other processes. Several phase transitions are nucleation driven. The nucleation events occur over nanosecond timescales and involve hundreds to thousands of molecules. These length and timescales are difficult to access in experiments, thereby making experimental studies of nucleation challenging. On the other hand, molecular simulations sample the nanosecond and nanometer scales making them ideal to study nucleation. However, nucleation is a rare event, meaning that the waiting time to observe one nucleation event is significant. This makes simulation studies of rare events challenging. The project focused on a multi-pronged approach to address such challenges to develop the next generation rare event sampling methods for molecular simulations. The key outcomes of our work include developing more effective methods for sampling rare events, utilizing machine learning to better elucidate nucleation mechanisms, development of software for easy implementation of the methodologies, and applications of the methods to realistic systems to push the method applicability beyond model systems. Overall, this work has enabled pushing the frontiers of molecular simulations to study rare events with a focus on nucleation in aqueous solutions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Entropy production in model colloidal suspensions under shear via the fluctuation theorem

Dissipative systems often exhibit novel and unexpected properties. This is, for instance, the case of simple liquids, which, when subjected to shear and after reaching a steady state, can exhibit a negative entropy production over finite length scales and timescales. This result, among others, is captured by nonequilibrium relations known as fluctuation theorems. Using nonequilibrium molecular dynamics simulations, we examine how, by fine-tuning the properties of the components of a complex fluid, we can steer the nonequilibrium response of the fluid. More specifically, we show how we control the nonequilibrium probability distribution for the shear stress and, in turn, how often states with a negative entropy production can occur. To achieve this, we start by characterizing how the size for the liquid matrix impacts the probability of observing negative entropy states, as well as the timescale over which these can be observed. We then measure how the addition of larger particles to this liquid matrix, i.e., simulating a model colloidal suspension, results in an increase in the occurrence of such states. As a result, this suggests how modifications in the composition of the mixture and in the properties of its components lead to an increase in the probability of observing states of negative entropy production and, thus, for the system to run in reverse.

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

Self-Driving Telescopes: Autonomous Scheduling of Astronomical Observation Campaigns with Offline Reinforcement Learning

Modern astronomical experiments are designed to achieve multiple scientific goals, from studies of galaxy evolution to cosmic acceleration. These goals require data of many different classes of night-sky objects, each of which has a particular set of observational needs. These observational needs are typically in strong competition with one another. This poses a challenging multi-objective optimization problem that remains unsolved. The effectiveness of Reinforcement Learning (RL) as a valuable paradigm for training autonomous systems has been well-demonstrated, and it may provide the basis for self-driving telescopes capable of optimizing the scheduling for astronomy campaigns. Simulated datasets containing examples of interactions between a telescope and a discrete set of sky locations on the celestial sphere can be used to train an RL model to sequentially gather data from these several locations to maximize a cumulative reward as a measure of the quality of the data gathered. We use simulated data to test and compare multiple implementations of a Deep Q-Network (DQN) for the task of optimizing the schedule of observations from the Stone Edge Observatory (SEO). We combine multiple improvements on the DQN and adjustments to the dataset, showing that DQNs can achieve an average reward of 87%+-6% of the maximum achievable reward in each state on the test set. This is the first comparison of offline RL algorithms for a particular astronomical challenge and the first open-source framework for performing such a comparison and assessment task.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Demonstration of cooling by the Muon Ionization Cooling Experiment

The use of accelerated beams of electrons, protons or ions has furthered the development of nearly every scientific discipline. However, high-energy muon beams of equivalent quality have not yet been delivered. Muon beams can be created through the decay of pions produced by the interaction of a proton beam with a target. Such ‘tertiary’ beams have much lower brightness than those created by accelerating electrons, protons or ions. High-brightness muon beams comparable to those produced by state-of-the-art electron, proton and ion accelerators could facilitate the study of lepton–antilepton collisions at extremely high energies and provide well characterized neutrino beams. Such muon beams could be realized using ionization cooling, which has been proposed to increase muon-beam brightness. Here we report the realization of ionization cooling, which was confirmed by the observation of an increased number of low-amplitude muons after passage of the muon beam through an absorber, as well as an increase in the corresponding phase-space density. The simulated performance of the ionization cooling system is consistent with the measured data, validating designs of the ionization cooling channel in which the cooling process is repeated to produce a substantial cooling effect. The results presented here are an important step towards achieving the muon-beam quality required to search for phenomena at energy scales beyond the reach of the Large Hadron Collider at a facility of equivalent or reduced footprint.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

A phase-shift-periodic parallel boundary condition for low-magnetic-shear scenarios

Abstract We formulate a generalized periodic boundary condition as a limit of the standard twist-and-shift parallel boundary condition that is suitable for simulations of plasmas with low magnetic shear. This is done by applying a phase shift in the binormal direction when crossing the parallel boundary. While this phase shift can be set to zero without loss of generality in the local flux-tube limit when employing the twist-and-shift boundary condition, we show that this is not the most general case when employing periodic parallel boundaries, and may not even be the most desirable. A non-zero phase shift can be used to avoid the convective cells that plague simulations of the three-dimensional Hasegawa–Wakatani system, and is shown to have measurable effects in periodic low-magnetic-shear gyrokinetic simulations. We propose a numerical program where a sampling of periodic simulations at random pseudo-irrational flux surfaces are used to determine physical observables in a statistical sense. This approach can serve as an alternative to applying the twist-and-shift boundary condition to low-magnetic-shear scenarios, which, while more straightforward, can be computationally demanding.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Asymmetric temperature equilibration with heat flow from cold to hot in a quantum thermodynamic system

A model computational quantum thermodynamic network is constructed with two variable temperature baths coupled by a linker system, with an asymmetry in the coupling of the linker to the two baths. It is found in computational simulations that the baths come to “thermal equilibrium” at different bath energies and temperatures. In a sense, heat is observed to flow from cold to hot. Additionally, a description is given in which a recently defined quantum entropy S univ Q for a pure state “universe” continues to increase after passing through the classical equilibrium point of equal temperatures, reaching a maximum at the asymmetric equilibrium. Thus, a second law account Δ S univ Q ≥ 0 holds for the asymmetric quantum process. In contrast, a von Neumann entropy description fails to uphold the entropy law, with a maximum near when the two temperatures are equal, then a decrease Δ S v N < 0 on the way to the asymmetric equilibrium.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

HPC Network Simulation Tuning via Automatic Extraction of Hardware Parameters

Popular HPC network interconnection simulators such as SST/macro provide a variety of configurable parameters to explore the design space of hardware components such as network interface cards (NIC), switches, and links among them. While such knobs provide flexibility to explore design trade-offs for novel hardware, manually configuring simulations for matching configurations of the existing hardware to focus on topology exploration can be cumbersome and error-prone, leading to widely inaccurate simulations. This challenge is compounded when specifications of various (proprietary) technologies are not readily available or intentionally omitted. In this work, we propose a framework to autotune the multiple network models’ simulation configurations within SST/macro using Tree-structured Parzen Estimator-based Bayesian optimization to observe the effect on simulation accuracy across different message regimes. These regimes consist of small to large message sizes and latency to bandwidth-bound messages. We provide a detailed analysis of the simulation error for four representative HPC systems. Our Bayesian optimization based autotuning framework for network models achieves a maximum of 5x improvement in accuracy over best-effort manual configurations based on available hardware specifications.

Simulation, autotuning↗
DOE OSTI2020

Dynamically controlled random lasing with colloidal titanium carbide MXene

Control of lasing properties through tailorable and dynamically tunable materials and reconfigurable compositions can augment the performance of random lasers for a wide range of applications. Here, a colloid of randomly dispersed weakly scattering single-layer titanium carbide (Ti 3 C 2 T x ) MXene flakes embedded within rhodamine 101 gain medium is experimentally shown to provide feedback for random lasing. Additionally, in contrast to previously reported random laser systems where the optical properties of scatterers are static, the relative permittivity of Ti 3 C 2 T x MXene flakes can be varied under optical pumping due to the saturable absorption properties. Numerical simulations indicate that the observed nonlinear response of Ti 3 C 2 T x MXene flakes enables dynamically tunable random lasing. Thus, pumping the Ti 3 C 2 T x MXene flakes with a second optical source decreases the gain threshold required to obtain random lasing. Also, using numerical simulations, it is shown that the control over the intensity of the second pump enables tuning the field distribution of the random lasing modes. Considering the diversity of the MXenes family, the proposed MXene colloidal metamaterial design opens up a new avenue to advanced control of lasing properties for photonic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Machine Learning for Adaptive Model Refinement to Bridge Scales

This whitepaper is responsive to focal area (2) Predictive modeling through the use of AI techniques and AI-derived model components: the use of AI and other tools to design a prediction system comprising of a hierarchy of models (e.g., AI driven model/component/parameterization selection). Here we describe scale-aware ML models for adaptive model refinement that allow us to bridge the spatial and/or temporal scales in simulation models and observation data for capturing and predicting extreme water cycles.

58 GEOSCIENCES↗
DOE OSTI2022

Machine learning-enabled model-data integration for predicting subsurface water storage

Subsurface water storage (SWS) is a key variable of the climate system and a storage component for precipitation and radiation anomalies, inducing persistence in the climate system. It plays a critical role in climate-change projections and can mitigate the impacts of climate change on ecosystems. However, because of the difficult accessibility of the underground, hydrologic properties and dynamics of SWS are poorly known. Direct observations of SWS are limited, and accurate incorporation of SWS dynamics into Earth system land models remains challenging. We propose a machine learning-enabled model-data integration framework to improve the SWS prediction at local to conus scales in a changing climate by leveraging all the available observation and simulation resources, as well as to inform the model development and guide the observation collection. The accurate prediction will enable an optimal decision of water management and land use and improve the ecosystem's resilience to the climate change.

Lu, Dan↗
DOE OSTI2025

Secure State Estimation with Asynchronous Measurements for Coordinated Cyber Attack Detection in Active Distribution Systems

Coordinated cyber attacks tamper with measurement data to disrupt the situational awareness of active distribution systems. Various sensors report measurements asynchronously at different rates, which introduces challenges during state estimation. In addition, this forces cyber intruders to exert greater effort to compromise multiple communication channels and launch coordinated attacks. Therefore, multi-channel and asynchronous measurements could be harnessed to develop more secure cyber defense strategies. In this paper, a prediction-correction-based multi-rate observer is designed to exploit the value of asynchronous measurements for the detection of coordinated false data injection (FDI) attacks. First, a time-function-dependent prediction-correction strategy is proposed to adjust the sampling interval for each sensor’s measurement. Then, an observer is designed based on the trade-off between estimation error and the optimal period of the most recent sampling instant, with the convergence of estimation error with the maximum permitted sampling interval. Moreover, the conditions for exponential stability are developed using the Lyapunov–Krasovskii functional technique. Next, a coordinated FDI attack detection strategy is developed based on the dual nonlinear minimization problem. The proposed attack detection and secure state estimation strategies are tested on the IEEE 13-node system. Simulation results show that these schemes are effective in enhancing attack detection based on asynchronous measurements or compromised data.

asynchronous measurements↗