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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Analysis of Grid-Forming Inverter Controls for Grid-Connected and Islanded Microgrid Integration

Autonomous grid-forming (GFM) inverter testbeds with scalable platforms have attracted interest recently. In this study, a self-synchronized universal droop controller (SUDC) was adopted, tested, and scaled in a small network and a test feeder using a real-time simulation tool to operate microgrids without synchronous generators. We presented a novel GFM inverter control adoption to better understand the dynamic behavior of the inverters and their scalability, which can impact the distribution system (DS). This paper provides a steady-state and transient analysis of the GFM power inverter controller via simulation to better understand voltage and frequency stabilization and ensure that the critical electric loads are not affected during a prolonged power outage. The controllers of the GFM inverter are simulated in HYPERSIM to examine voltage and frequency fluctuations. This analysis includes assessing the black start capability for photovoltaic microgrids, both grid-connected and islanded, during transient fault conditions. The high photovoltaic PV penetration levels open exciting opportunities and challenges for the DS. The GFM inverter control demonstrated appropriate response times for synchronization, connection, and disconnection to the grid. The DS has become more resilient and independent of fossil fuels by increasing the penetration of inverter-based distributed energy resources (DERs).

Ward, Laura (ORCID:0000000345501581)↗
DOE OSTI2022

Metal Site Substitution and Role of the Dimer on Symmetry Breaking in FePS 3 and CrPS 4 under Pressure

We combine infrared absorption, Raman scattering, and diamond anvil cell techniques to explore the properties of FePS 3 and CrPS 4 under pressure, comparing our findings with a symmetry analysis, lattice dynamics calculations, and an examination of the energy landscape. Although these complex chalcogenides are considered to be members of the same family of materials, they display remarkably different phase progressions on account of the metal center orbital filling, character of the P–P linkage, layer corrugation, and differing size of the van der Waals gap. Here, we discuss the space group progressions, structure–property relations, and development of pressure-induced metallicity in terms of the competition between local and long-range symmetry transformations and structural distortion pathways. These findings place the properties of FePS 3 and CrPS 4 on a firm foundation for work under strain control and in the single layer limit.

36 MATERIALS SCIENCE↗
DOE OSTI2017

General Effect of van der Waals Interactions on the Stability of Alkoxy Intermediates on Metal Surfaces

The critical role of noncovalent van der Waals (vdW) interactions in determining the relative thermodynamic stability of alkoxy intermediates has been demonstrated for the Cu(110) surface using a combination of experiment and theory. The results may be significant for the selectivity control of copper-based reactions of alcohols. Previous examination of this effect on Au(110) was also extended to include higher molecular weight alcohols; on Cu(110) and Au(110) the hierarchy for the strength of binding of the alkoxys was found to be the same within experimental accuracy, with alkoxy species of greater chain length being more stable. The equilibrium constants governing the competition of alcohol pairs for binding sites of the alkoxys are also similar on the two surfaces. These results reveal the generality of such vdW effects. In conclusion, this work expands the understanding of the role of vdW interactions on the binding efficacy of key reactive intermediates on metal surfaces, a key factor in the rational design of complex and selective catalytic processes.

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

Electronic Structure Progression across the ACu 2 Q 2 (MQ 2 ) n Semiconductor Series

Moving beyond the engineering of known materials and elemental substitution within common structure types is critical for designing unique properties. Here, we present a new homologous series, ACu 2 Q 2 (MQ 2 ) n (A = Sr, Ba, 2Na; MQ 2 = ZrS2, HfSe 2 ), establishing 11 new members. In β-BaCu 2 Q 2 and Na 2 Cu 2 Se 2 (n = 0), the [Cu 2 Q 2 ] 2– motifs extend in two dimensions, whereas those in α-BaCu 2 Q 2 extend in three dimensions. Hence, there are two structural evolutions within the ACu 2 Q 2 (MQ 2 )n family driven by the polymorphism of the host structures. MQ 2 (n → ∞) displays 2D layers of edge-sharing [MQ 6 ] 8– octahedra that are 1-octahedron-thick and connected via van der Waals bonding. Each insertion of MQ 2 into ACu 2 Q 2 incorporates [MQ 6 ] 8– octahedra extending infinitely in one direction, confined to being 1-octahedron-thick in the second direction, with n controlling the number of [MQ 6 ] 8– octahedra in the third direction. Therefore, increasing n predictively expands the [Cu 2 MnQ 2n+2 ] 2– network in the direction controlled by n and relative to the A + /A 2+ ions. We demonstrate that for a given set of elements, one can enforce a “Host(Insertion)n” formula to systematically evolve both crystal and electronic structures from the host (n = 0) to the insertion (n → ∞) materials through intermediate values of n. Specifically, the energetic misalignment of the electronic band extrema of the parents predictively determines the band extrema and the resulting band gaps of all intermediate n members.

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

Online real-time learning of dynamical systems from noisy streaming data

Abstract Recent advancements in sensing and communication facilitate obtaining high-frequency real-time data from various physical systems like power networks, climate systems, biological networks, etc. However, since the data are recorded by physical sensors, it is natural that the obtained data is corrupted by measurement noise. In this paper, we present a novel algorithm for online real-time learning of dynamical systems from noisy time-series data, which employs the Robust Koopman operator framework to mitigate the effect of measurement noise. The proposed algorithm has three main advantages: (a) it allows for online real-time monitoring of a dynamical system; (b) it obtains a linear representation of the underlying dynamical system, thus enabling the user to use linear systems theory for analysis and control of the system; (c) it is computationally fast and less intensive than the popular extended dynamic mode decomposition (EDMD) algorithm. We illustrate the efficiency of the proposed algorithm by applying it to identify the Van der Pol oscillator, the chaotic attractor of the Henon map, the IEEE 68 bus system, and a ring network of Van der Pol oscillators.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Machine learning methods for probabilistic locked-mode predictors in tokamak plasmas

A rotating tokamak plasma can interact resonantly with the external helical magnetic perturbations, also known as error fields. This can lead to locking and then to disruptions. We leverage machine learning (ML) methods to predict the locking events. We use a coupled third-order nonlinear ordinary differential equation model to represent the interaction of the magnetic perturbation and the plasma rotation with the error field. This model is sufficient to describe qualitatively the locking and unlocking bifurcations. Here, we explore using ML algorithms with the simulation data and experimental data, focusing on the methods that can be used with sparse datasets. These methods lead to the possibility of the avoidance of locking in real-time operations. We describe the operational space in terms of two control parameters: the magnitude of the error field and the rotation frequency associated with the momentum source that maintains the plasma rotation. The outcomes are quan- tified by order parameters that completely characterize the state, whether locked or unlocked. We use unsupervised ML methods to classify locked/unlocked states and note the usefulness of a certain normalization of the order parameters. Three supervised ML classifiers are used in suite to estimate the probability of locking in the region of control parameter space with hysteresis, i.e., the set of control parameters for which both locked and unlocked states can exist. The results show that a neural network gives the best estimate of the locking probability. An analogy of the present locking model with the van der Waals equation of state is also provided.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Validation of Power Distribution Models using Load Flow Analysis in an ADMS Environment

Electric utilities are facing the need for better monitoring, analysis, and control of their distribution systems. An accurate mathematical model is a key to both the development of cutting-edge, scalable model-based algorithms and the assessment of emerging technologies such as distributed energy resources (DER) for grid planning and operation. However, the constantly evolving nature of power distribution systems poses challenges to maintaining accurate models. In this paper, we propose a novel load flow based approach to validate power distribution models. Networked equipment models described according to the Common Information Model (CIM) standard and a measurement model are used to formulate the distribution load flow problem. First, a system admittance matrix (Ybus) is derived from device-level CIM parameters. Next, the operational parameters (dynamic Ybus and nodal injections) are extracted from the measurement model using sensor configuration and equipment state. An iterative power flow method is then used to compute nodal voltages and branch flows that are compared against the measurement data to find any inconsistencies in the networked equipment model. This approach is implemented within GridAPPS-D, an open-source standards-based platform for advanced distribution management system (ADMS) application development, and demonstrated on the IEEE 13-bus, 123-bus, and 8500-node test feeders.

Common information model, model validation, power ↗
DOE OSTI2022

Application of DLT cybersecurity stack to TES applications for a scalable, cybersecure, and interoperable future

Transactive Energy Systems (TES) are expected to improve upon existing grid operations and capabilities by enabling the integration of traditional grid resources with distributed energy resources (DER). Distributed Ledger Technology or DLT (e.g., blockchain) presents itself as a viable instrument to support decentralized, autonomous, and tamper-evident applications, which can be leveraged within TES's ecosystem. DLTs can provide pertinent security controls including access controls, data immutability, and traceability in addition to other well-known advantages such as decentralization and scalability. This work demonstrates the DLT Cybersecurity stack and its applicability to TES-based use-cases/applications. The seven-layer DLT cybersecurity stack is a DLT-agnostic framework that can quickly be used to classify and group the individual needs of an application into the different processing and cybersecurity layers offered by a DLT using a common taxonomy and an architectural mapping framework. This enables application engineers to demystify and strengthen the overall security aspects of their systems while maintaining an open perspective towards features and drawbacks that may hinder their performance in real-world scenarios. The paper leverages the work performed by the IEEE P2418.5 - Blockchain for Energy Standards working group.

Blockchain, blockchain interoperability, Cybersecu↗
DOE OSTI2018

Studies on the Effects of High Renewable Penetrations on Driving Point Impedance and Voltage Regulator Performance: National Renewable Energy Laboratory/Sacramento Municipal Utility District Load Tap Changer Driving Point Impedance Project

Voltage regulators perform as desired when regulating from the source to the load and when regulating from a strong source (utility) to a weak source (distributed generation). (See the glossary for definitions of a strong source and weak source.) Even when the control is provisioned for reverse operation, it has been observed that tap-changing voltage regulators do not perform as desired in reverse when attempting regulation from the weak source to the strong source. The region of performance that is not as well understood is the regulation between sources that are approaching equal strength. As part of this study, we explored all three scenarios: regulator control from a strong source to a weak source (classic case), control from a weak source to a strong source (during reverse power flow), and control between equivalent sources.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

Casimir-Polder potential on an excited atom near an atomic array

We develop a microscopic description of the fluctuation-mediated Casimir-Polder (CP) shifts on a 'test' two-level atom placed near a two-dimensional atomic array of two-level atoms. We derive the resonant and off-resonant CP potentials experienced by the excited test atom using fourth-order perturbation theory, under the assumption that the test atom resonance is far detuned from those of the array atoms. The total potential on the test atom can be described as the sum of the pairwise resonant and off-resonant potentials resulting from its interaction with the individual atoms of the array. We analyze the asymptotic scaling of CP shifts as a function of the test atom-array separation, and its dependence on various system parameters: array spacing and size, and dipole orientation of the array atoms. Our results bridge the description of CP potential across two distinct regimes: (i) from a single-atom limit where we recover the well-known two-atom Van der Waals potential, (ii) to a macroscopic boundary limit, where we demonstrate new asymptotic scaling laws. We demonstrate that these scaling laws can be tuned via the microscopic parameters of the atomic array, establishing atomically-controlled arrays as a versatile platform for tailoring fluctuation-induced QED phenomena.

FOS: Physical sciences↗
NASA NTRS2010

Optical Modification of Casimir Forces for Improved Function of Micro-and Nano-Scale Devices

Recently, there has been a considerable effort to study the Casimir and van der Waals forces, enabled by the improved ability to measure small forces near surfaces. Because of the continuously growing role of micro- and nanomechanical devices, the focus of this activity has shifted towards the ability to control these forces. Possible approaches to manipulating the Casimir force include development of composite materials, engineered nanostructures, mixed-phase materials, or active elements. So far, practical success has been limited. The role of geometrical factors in the Casimir force is significant. It is known, for example, that the Casimir force between two spherical shells enclosed one into the other is repulsive instead of normal attractive. Unfortunately, nanosurfaces with this topology are very difficult to make. A more direct approach to manipulating and neutralizing the Casimir force is using external mechanical or electromagnetic forces. Unfortunately, the technological overhead of such an approach is quite large. Using electromagnetic compensation instead of mechanical will considerably reduce this overhead and at the same time provide the degree of control over the Casimir force that mechanical springs cannot provide. A mechanical analog behind Casimir forces is shown.

Strekalov, Dmitry V.↗
DOE OSTI2020

Impact of Aggregated PV on Subsynchronous Torsional Interaction

This paper investigates induced oscillation (specifically subsynchronous torsional interactions) in power systems arising from photovoltaic (PV) power modulation. Time domain simulations of a modified IEEE first-benchmark system are presented and analyzed. In the IEEE benchmark system, a PV generator was added at the same bus where the synchronous generator is connected. The impact of different parameters of the PV inverters’ volt-volt-ampere reactive (volt-var) curve on SSTI is examined. The most severe impact found arises from the time response of the inverter’s reactive power change. A second-order time response with natural frequency matching the rotor speed deviation oscillation frequency and low-damping ratio quickly drives the system to an unstable region. Although it is highly unlikely that conditions necessary for distributed energy resource-induced oscillations would occur in the field, with knowledge of this vulnerability in mind, inverters' control parameters can be designed to avoid it.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2022

Common Information Model for Electromagnetic Transients (CIM for EMT): CRADA 533 [Abstract only}

The control and protection functions of inverter-based resources (IBR) have raised concerns with bulk system reliability. Most of the current interest lies with solar photovoltaic generation but increasing amounts of storage would pose the same risks. Newer North American Electric Reliability Corporation (NERC) guidelines call for electromagnetic transient (EMT) studies of IBR and recommend that transmission operators collect distributed energy resource (DER) data to support such modeling. IEEE Standard P2800.1 is defining tests for model parameterization, so good model data should become available from inverter vendors. (EMT studies also apply to large power transformer reliability, and transformer vendors can provide EMT models.) Utilities don’t currently have the rest of the bulk system represented for EMT studies at large scale. An International Electrotechnical Commission (IEC) standard Common Information Model (CIM) provides a way of supporting these detailed models from physical asset data, e.g., conductors, towers, transformer data sheets, control block diagrams, while avoiding software vendor lock-in. CIM-for-EMT, with proposed schema extensions and open-source converters, provides a way to exchange EMT data between organizations and tools. This project leverages Office of Electricity (OE) funding of CIM-for-EMT code base through the GridAPPS-DTM project, and of GridPACKTM (parallelized transmission solver), for interoperability testing in CIM-for-EMT. The project also leverages partner PGSTech investments in EMTP® interoperability with CIM.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Twist-angle dependence of moiré excitons in WS 2 /MoSe 2 heterobilayers

Moiré lattices formed in twisted van der Waals bilayers provide a unique, tunable platform to realize coupled electron or exciton lattices unavailable before. While twist angle between the bilayer has been shown to be a critical parameter in engineering the moiré potential and enabling novel phenomena in electronic moiré systems, a systematic experimental study as a function of twist angle is still missing. Here we show that not only are moiré excitons robust in bilayers of even large twist angles, but also properties of the moiré excitons are dependant on, and controllable by, the moiré reciprocal lattice period via twist-angle tuning. From the twist-angle dependence, we furthermore obtain the effective mass of the interlayer excitons and the electron inter-layer tunneling strength, which are difficult to measure experimentally otherwise. These findings pave the way for understanding and engineering rich moiré-lattice induced phenomena in angle-twisted semiconductor van der Waals heterostructures.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Optomechanical Tuning of Second Harmonic Generation Anisotropy in Janus MoSSe/MoS 2 Heterostructures

Symmetry breaking in van der Waals materials enables the realization of quantum states and advanced device functionalities. Janus transition-metal dichalcogenides (TMDs) exhibit distinctive nonlinear optical properties due to their broken out-of-plane mirror symmetry. However, the dynamic control of second harmonic generation (SHG) anisotropy and resonance behavior via optical excitation remains elusive. Here, in this work, we investigate the SHG response of Janus MoSSe/MoS 2 heterostructures with 2H and 3R stackings. We can tune the SHG response by varying the incident photon wavelength from 800 to 1000 nm, which shows a resonance-dependent enhancement in intensity and a deviation from 6-fold symmetry, indicating wavelength-dependent anisotropy. The ratio between maximum and minimum intensity in the armchair directions, associated with the SHG anisotropy, reaches a value of 1.73 at the excitation wavelength of 1000 nm. Group theory analysis and first-principles calculations reveal that the observed anisotropy arises from optically induced strain. Our findings highlight the role of symmetry breaking and optical resonance contributing to the optomechanical tuning of SHG anisotropy, offering opportunities for developing Janus TMD-based photonic devices for frequency conversion, light generation, and optical switching.

Janus transition metal dichalcogenides↗
DOE OSTI2018

Mechanistic Understanding of the Growth Kinetics and Dynamics of Nanoparticle Superlattices by Coupling Interparticle Forces from Real-Time Measurements

Superlattice structures formed by nanoparticle (NP) self-assembly have attracted increasing attention due to their potential as a novel class of nanomaterials with enhanced physicochemical properties tailored by the assembly structure. However, many key questions remain regarding the correlation between the dynamics of individual NPs and the emerging superlattice patterns. Here we investigated the self-assembly of gold NPs by employing in situ transmission electron microscopy equipped with direct detection camera capabilities, which enabled us to track the rapid motion of individual nanoparticles in real time. By calculating the contributions of Brownian, van der Waals, hydrodynamic, and steric hindrance forces, we obtained a quantitative evaluation of the competitive interactions that drive the assembly process. Such competition between forces over various separations is critical for the kinetics of cluster growth, as well as the superlattice formation. Brownian motion resulted in random particle motions to form small-sized clusters, whose growth dynamics was characterized as reaction-limited aggregation. Subsequently, at relative short-range particle separation, van der Waals force overrode the Brownian force and dominantly drove the assembly process. In the close proximity, a delicate balance between van der Waals and steric hindrance forces surprisingly led to a unique dynamic nature of the assembled superlattice. Our study provides a fundamental understanding of coupling energetics and dynamics of NPs involved in the assembly process, enabling the control and design of the structure of nanoparticle superlattices.

Lee, Jaewon↗
DOE OSTI2018

A Three-Dimensional Dynamic Supramolecular “Sticky Fingers” Organic Framework

Engineering high-recognition host-guest materials is a burgeoning area in basic and applied research. The challenge of exploring novel porous materials with advanced functionalities prompted us to develop dynamic crystalline structures promoted by soft interactions. The first example of a pure molecular dynamic crystalline framework is demonstrated, which is held together by means of weak "sticky fingers" van der Waals interactions. The presented organic-fullerene-based material exhibits a non-porous dynamic crystalline structure capable of undergoing single-crystal-to-single-crystal reactions. Exposure to hydrazine vapors induces structural and chemical changes that manifest as toposelective hydrogenation of alternating rings on the surface of the [60]fullerene. To conclude, control experiments confirm that the same reaction does not occur when performed in solution. Easy-to-detect changes in the macroscopic properties of the sample suggest utility as molecular sensors or energy-storage materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Control of nanoparticle size, reactivity and magnetic properties during the bioproduction of magnetite by Geobacter sulfurreducens

The bioproduction of nano-scale magnetite by Fe(III)-reducing bacteria offers a potentially tunable, environmentally benign route to magnetic nanoparticle synthesis. Here, we demonstrate that it is possible to control the size of magnetite nanoparticles produced by Geobacter sulfurreducens, by adjusting the total biomass introduced at the start of the process. The particles have a narrow size distribution and can be controlled within the range of 10-50 nm. X-ray diffraction analysis indicates that controlled production of a number of different biominerals is possible via this method including goethite, magnetite and siderite, but their formation is strongly dependent upon the rate of Fe(III) reduction and total concentration and rate of Fe(II) produced by the bacteria during the reduction process. Relative cation distributions within the structure of the nanoparticles has been investigated by X-ray magnetic circular dichroism and indicates the presence of a highly reduced surface layer which is not observed when magnetite is produced through abiotic methods. The enhanced Fe(II)-rich surface, combined with small particle size, has important environmental applications such as in the reductive bioremediation of organics, radionuclides and metals. In the case of Cr(VI), as a model high-valence toxic metal, optimised biogenic magnetite is able to reduce and sequester the toxic hexavalent chromium very efficiently in the less harmful trivalent form.

60 APPLIED LIFE SCIENCES↗