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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Epitaxial heterointerfacial electron bridge synchronizes oxygen evolution activity and stability on a layered double hydroxide surface

Scalable green hydrogen production via electrocatalytic water splitting is largely restricted by the insufficient activity and stability of oxygen evolution reaction (OER) catalysts at the anode. As a class of the most active OER catalysts in alkaline electrolyzers, the application of layered double hydroxides (LDHs) remains a main challenge owing to the unstable lattice oxygen dissolution due to the dominant lattice oxygen-involving OER mechanism during long-term operation. Herein, we found that using an epitaxial hetero-interfacing nickel hydroxide (namely Ni(OH) 2 ) as an electron bridge between an active FeCo LDH and Ni foam support to form an LDH*/NFO catalyst, the electronic storage capacity around the Fermi level (-0.5 to +0.5 eV, e-D FE ) sharply increases from 0.93 per cell to 1.51 per cell. Subsequently, we demonstrate that this high e-D FE enables ceaseless and fast power injection into the kinetic process of intermediate species conversion and inhibits lattice oxygen dissolution in the active FeCo LDH. Consequently, it demonstrated a low OER overpotential of 246 mV at a current density of 100 mA cm -2 and ultrahigh stability for up to 3500 hours with an ultraslow overpotential increase rate of 9.4 × 10 -3 mV h -1 . Therefore, we developed an epitaxial hetero-interfacial electron bridging strategy to synchronize the activity and stability of available catalysts for scalable green hydrogen production via electrocatalytic water splitting.

25 ENERGY STORAGE↗
DOE OSTI2024

Characteristics of Vertical Ground Motions and Their Effect on the Seismic Response of Bridges in the Near-Field: A State-of-the-Art Review

Despite the evidence from past earthquakes and several numerical investigations demonstrating the detrimental impact of vertical ground motions (VGMs) on the integrity of bridge structures, incorporating their effects into seismic assessment and design procedures has traditionally been given limited consideration. Current codes utilize rather simplistic approaches to account for the concurrent effects of vertical and horizontal motions in structural performance evaluations, potentially leading to unconservative estimates of structural demands. This paper reviews the main features of VGMs and their effect on the seismic response of bridges. The methods and empirical models available to estimate vertical motions for design purposes are discussed, and research gaps and related research needs are identified. Finally, the emerging role of physics-based ground-motion simulations, as well as their limitations, in supporting future research and informing the development of simplified design procedures is examined. The main areas of interest for future research are identified in the need to carry out systematic sensitivity studies to gain insight into the main earthquake parameters that influence key VGMs features, understand the influence of soil nonlinearities on VGMs amplitude and frequency content, inform the development of empirical models that cover a range of site conditions and source-to-site distances where current models are poorly constrained, generate arrays of motions to update coherency models to properly inform the analysis of distributed infrastructure, investigate the impulsive character of VGMs, and assess the approximations made in estimating VGMs with 1D site response analyses. Furthermore, specific focus is laid on large-magnitude earthquakes in the near-field.

Asynchronous ground motion↗
DOE OSTI2023

Spin selective charge recombination in chiral donor-bridge-acceptor triads

In this paper, we outline a physically motivated framework for describing spin-selective recombination processes in chiral systems, from which we derive spin-selective reaction operators for recombination reactions of donor–bridge–acceptor molecules, where the electron transfer is mediated by chirality and spin–orbit coupling. In general, the recombination process is selective only for spin-coherence between singlet and triplet states, and it is not, in general, selective for spin polarization. We find that spin polarization selectivity only arises in hopping-mediated electron transfer. We describe how this effective spin-polarization selectivity is a consequence of spin-polarization generated transiently in the intermediate state. Furthermore, the recombination process also augments the coherent spin dynamics of the charge separated state, which is found to have a significant effect on the recombination dynamics and to destroy any long-lived spin polarization. Although we only consider a simple donor–bridge–acceptor system, the framework we present here can be straightforwardly extended to describe spin-selective recombination processes in more complex systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Refining fast calorimeter simulations with a Schrödinger Bridge

Machine learning-based simulations, especially calorimeter simulations, are promising tools for approximating the precision of classical high energy physics simulations with a fraction of the generation time. Nearly all methods proposed so far learn neural networks that map a random variable with a known probability density, like a Gaussian, to realistic-looking events. In many cases, physics events are not close to Gaussian and so these neural networks have to learn a highly complex function. We study an alternative approach: Schrödinger bridge Quality Improvement via Refinement of Existing Lightweight Simulations (SQuIRELS). SQuIRELS leverages the power of diffusion-based neural networks and Schrödinger bridges to map between samples where the probability density is not known explicitly. We apply SQuIRELS to the task of refining a classical fast simulation to approximate a full classical simulation. On simulated calorimeter events, we find that SQuIRELS is able to reproduce highly non-trivial features of the full simulation with a fraction of the generation time.

Calorimeter methods↗
DOE OSTI2021

Real-time Implementation of a Dual-Active-Bridge Based Multi-Level Photovoltaic Converter

Silicon-carbide based, multi-level converters with dual-active-bridge (DAB) are getting attention for medium voltage, direct grid-connected, utility-scale photovoltaic (PV) applications due to their higher efficiency and power density. To de-risk complex control development for these high-voltage and high-power inverters, hardware-in-the-loop techniques are often required. Due to the high switching frequency and the large number of power electronic switches, off-the-shelf, real-time simulation tools are not yet fully developed for this application, even with FPGA-based simulators. To address this, a new co-simulation approach in FPGA is presented that utilizes Time-Stamped Bridge (TSB) for the higher frequency converters along with detailed fixed conductance based discrete device simulation of the rest of the circuit. A complex DAB-based PV converter with maximum switching frequency of 50 kHz is successfully simulated in real-time in the FPGA and the results are compared with offline simulation results. A controller hardware-in-the-loop (CHIL) platform is developed to demonstrate real-time, closed-loop test results for this DAB-based PV converter.

Dong, Zerui↗
DOE OSTI2022

ROS-Ethereum: A Convenient Tool to Bridge ROS and Blockchain (Ethereum)

Robot Operating System (ROS) has received widespread utilization with the development of robotics, self-driving, etc., recently. Meanwhile, the other technology blockchain is frequently applied to various fields with its trustworthy characteristics and immutability in data storage. However, ROS has no ability to interact with the blockchain, which hinders research in related fields. Therefore, we wonder if we can develop a convenient tool to bridge ROS and blockchain. Inspired by this, we propose ROS-Ethereum. It bridges ROS and Ethereum, a widely used blockchain platform. ROS-Ethereum is based on the User Datagram Protocol (UDP) communication mechanism and the SM algorithm family along with Ethereum technology. Simply put, ROS-Ethereum allows users to invoke the contract when interacting with the blockchain, which makes this process easier and safer. We conduct experiments in real robots to verify the effectiveness of ROS-Ethereum and evaluate it from the following metrics: (1) the encryption efficiency and stability of the algorithm and (2) ROS-Ethereum transaction response time and packet loss rate.

Zhang, Shenhui↗
DOE OSTI2023

AmeriFlux FLUXNET-1F US-Ced Cedar Bridge

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site US-Ced Cedar Bridge. This is the FLUXNET version of the carbon flux data for the site US-Ced Cedar Bridge produced by applying the standard ONEFlux (1F) software. Site Description - Wildfires and prescribed fires are a common occurrence in the NJ Pinelands. Prior to a 1995 nonstand replacing wildfire, the stand was last burned in the very large wildfire in 1963. Plow lines were installed for fire control in December of 2007, followed by a prescribed burns in 2008 and 2013, conducted by the New Jersey Forest Fire Service. Pine looper defoliated the stand in 1998, and Gypsy moth defoliated the understory and deciduos oaks in 2007. Pitch Pines are largely unaffected by defoliation by Gypsy moth.

Skowronski, Nicholas S.↗
DOE OSTI2024

Large Eddy Simulation and Analysis of Truck Generated Droplet Spray Transport at Bridges

Weathering steel is a particular type of steel that develops a higher level of atmospheric corrosion protection than non-weathering grades of steel. While uncoated weathering steels have the appearance of being “rusted”, there are many forms of ferric oxyhydroxides (aka. rust) that can form on steel. The predominant ferric oxyhydroxide that gives uncoated weathering steel its tightly adherent patina is goethite. The atmospheric corrosion protection comes from alloying, primarily with a copper composition greater than 0.20 percent and also small amounts of chrome, nickel, and silicon. Bare atmospheric corrosion resistant steels have been recognized as far back as 1905 with very early editions of the American Society for Testing and Materials (ASTM) A 7 “Standard Specification for Steel for Bridges and Buildings” [1]. Uncoated weathering steel (UWS) is the lowest cost corrosion protection system possible for a steel bridge based on the first cost. Provided the UWS is used in an optimal environment that allows the protective patina to form, UWS also provides the lowest life cycle cost. The protective patina on UWS does not form or degrades in continuously damp conditions, forming a higher proportion of lepidocrocite, or in the presence of a concentration of chlorine ions that is too high, forming a higher proportion of akageneite.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Development of a Liquid Bridge Model for Particle Agglomeration and Defluidization in Plastic Pyrolysis

Molten plastic that forms during the pyrolysis of plastic or municipal solid waste feedstock can lead to particle agglomeration. A liquid bridge model is developed in MFiX-DEM and validated against a cold flow experiment with glass beads coated with silicone oil. The liquid bridge model is then extended to support an evolving liquid layer thickness for pyrolysis applications. The extended model is used to study the sensitivity of the pyrolysis reactor to solids holdup, flow conditions, and plastic properties.

Banerjee, Subhodeep↗
DOE OSTI2025

Bridging multimodal microscopy for advanced characterization on nuclear fuel using machine learning

Uranium dioxide (UO 2 ), widely used as driver fuel in light water reactors, experiences microstructure and property change by nuclear fission reactions. This paper bridges the characterization of fresh UO 2 fuel at different length scales, serving as a baseline for future post irradiation examination of irradiated UO 2 fuel. To characterize the microstructural change of nuclear fuel, modern approaches cover a wide range of length scales through different characterization techniques, such as mm scale for Synchrotron-based X-ray computed tomography (SXCT) and microscale for focused ion beam (FIB) and scanning electron microscopy (SEM). It is challenging to bridge the data and knowledge of the same sample in different length scales. This paper proposed a deep learning framework leveraging transfer learning to detect microstructural defects, trained from a sparse FIB, SEM, and SXCT images. The proposed model achieved superior performance in defect segmentation on multiscale microscopic data compared to four of the latest deep learning models.

36 MATERIALS SCIENCE↗
DOE OSTI2022

System and method for additive manufacturing with toolpath bridges and resultant structure

A system and method for improving additive manufacturing, including additive manufacturing toolpaths, is provided. The system and method includes a toolpath generator that obtains initial toolpaths of an object, identifies isolated paths in the toolpaths, and adds bridge connections between neighboring isolated paths in each layer to improve the toolpaths. The bridge connections facilitate the continuous and non-stop deposition of each layer according to improved toolpaths during additive manufacture, which can reduce total deposition time and improve the resultant additive manufacture.

Kim, Seokpum↗
DOE OSTI2023

Ene Reductase Enabled Intramolecular β–C–H Functionalization of Substituted Cyclohexanones for Efficient Synthesis of Bridged Bicyclic Nitrogen Scaffolds

Herein we report that ene reductases (EREDs) can facilitate an unprecedented intramolecular β-C–H functionalization reaction for the synthesis of bridged bicyclic nitrogen heterocycles containing the 6-azabicyclo[3.2.1]octane scaffold. To streamline the synthesis of these privileged motifs, we developed a gram-scale one-pot chemoenzymatic cascade by combining iridium photocatalysis with EREDs, using readily available N-phenylglycines and cyclohexenones that can be obtained from biomass. Further derivatization using enzymatic or chemical methods can convert 6-azabicyclo[3.2.1]octan-3-one into 6-azabicyclo[3.2.1]octan-3α-ols, which can be potentially utilized for the synthesis of azaprophen and its analogues for drug discovery. Here, mechanistic studies revealed the reaction requires oxygen, presumably to produce oxidized flavin, which can selectively dehydrogenate the 3-substituted cyclohexanone derivatives to form the α,β-unsaturated ketone, which subsequently undergoes spontaneous intramolecular aza-Michael addition under basic conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Scale-bridging with the extended/generalized finite element method for linear elastodynamics

This paper presents an extended/generalized finite element method for bridging scales in linear elastodynamics in the absence of scale separation. More precisely, the GFEMgl framework is expanded to enable the numerical solution of multiscale problems through the automated construction of specially-tailored shape functions, thereby enabling high-fidelity finite element modeling on simple, fixed finite element meshes. Furthermore, this introduces time-dependencies in the shape functions in that they are subject to continuous adaptation with time. The temporal aspects of the formulation are investigated by considering the Newmark-β time integration scheme, and the efficacy of mass lumping strategies is explored in an explicit time-stepping scheme. This method is demonstrated on representative wave propagation examples as well as a dynamic fracture problem to assess its accuracy and flexibility.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Mechanism of $\mathrm{E}$-bridge formation by various $\mathrm{PAH}$ molecules: A theoretical study

Potential energy surfaces (PES) for dimerization of acepyrene-pyrene, aceanthracene-anthracene, and acenaphthalene-naphthalene were computed by the G3(MP2,CC) and ONIOM2(G3(MP2,CC):B3LYP/6-31G(d)) methods. Close agreement of relative energies of corresponding species along reaction paths for different reactions was found suggesting that the PES for E-bridge formation depends weakly on the number of rings in the interacting monomers. Our results indicate that the reaction rate is controlled by the dynamics of the initial collision, which may depend on the monomer size. The ONIOM approach is proposed as an accurate tool for calculations of PES in large PAH systems being more reliable than various DFT methods.

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

Brownian bridge-based speed imputation technique for truck energy consumption and emissions estimation

The available truck Global Positioning System (GPS) data, typically collected with large time gaps, rely on imputation techniques to obtain second-by-second data that are required in models for estimating truck energy consumption and emissions. However, existing speed imputation techniques either require a large amount of high-resolution data for model training or rely on special movement assumptions. Here, to fill the gap and effectively apply the low-resolution truck GPS datasets, this paper proposes a simple imputation technique that adopts the Brownian bridge structure to impute missing speed data. The proposed technique introduces a feasible imputation region and a combined drift into the imputation procedure to capture vehicle acceleration constraint, travel distance constraint, and speed volatility. The calibrated model is applied to a set of low-resolution truck GPS data. The results demonstrate the robustness of the proposed technique in enhancing estimation accuracy when using low-resolution GPS data to estimate fuel consumption and emissions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Predictive scale-bridging simulations through active learning

Throughout computational science, there is a growing need to utilize the continual improvements in raw computational horsepower to achieve greater physical fidelity through scale-bridging over brute-force increases in the number of mesh elements. For instance, quantitative predictions of transport in nanoporous media, critical to hydrocarbon extraction from tight shale formations, are impossible without accounting for molecular-level interactions. Similarly, inertial confinement fusion simulations rely on numerical diffusion to simulate molecular effects such as non-local transport and mixing without truly accounting for molecular interactions. With these two disparate applications in mind, we develop a novel capability which uses an active learning approach to optimize the use of local fine-scale simulations for informing coarse-scale hydrodynamics. Our approach addresses three challenges: forecasting continuum coarse-scale trajectory to speculatively execute new fine-scale molecular dynamics calculations, dynamically updating coarse-scale from fine-scale calculations, and quantifying uncertainty in neural network models.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Optimized AC/DC Dual Active Bridge Converter using Monolithic SiC Bidirectional FET (BiDFET) for Solar PV Applications

Grid interface power conversion systems for commercial, industrial and residential solar power generation are becoming ubiquitous due to the competitive cost of solar energy. The AC/DC dual active bridge (DAB) converter is an upcoming topology in industrial PV energy and energy storage applications, providing bidirectional power transfer and galvanic isolation. In this paper, the properties of a DAB-type converter are leveraged to propose a design optimization process. It can optimize the high-frequency RMS current, size of magnetic elements and zero-voltage-switching (ZVS) region of the converter. The resulting design is compared against that derived from a conventional approach. In addition, an algorithm to compute the harmonic currents at the DC and line frequency AC ports of the system is proposed, and the respective filter designs are presented. The optimized design of the AC/DC DAB converter is implemented using the newly developed, 1200 V, 46 mΩ, four quadrant, SiC-based monolithic bidirectional FETs (BiDFET). Experimental results from the 2.3 kW, 400V/277VRMS hardware prototype are finally presented to verify the design process.

Bidirectional isolated AC-DC conversion, solar ene↗
DOE OSTI2020

A Distributed Control Architecture for Cascaded H-Bridge Converter with Integrated Battery Energy Storage

Cascaded H-bridge topology has been used in grid-tied converters for battery energy storage system due to its modular structure. To fully utilize the converter’s modularity, this paper proposes a hierarchical distributed control architecture that consists of primary control, secondary control and battery state of charge (SOC) balancing control. Primary control ensures accurate current tracking while a distributed secondary control based on consensus algorithm is presented to regulate power sharing among modules and is proved to be stable theoretically. Here, a distributed SOC balancing control is further introduced to improve energy efficiency of battery energy storage system. Finally, the hierarchical distributed control strategy is implemented using hardware controllers and a software platform. Besides, a carrier phase shift control is also implemented to achieve multilevel output voltage and harmonic reduction. The experimental results demonstrate the performance of the proposed control scheme effectively.

25 ENERGY STORAGE↗