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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 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Improved microgrid resiliency through distributionally robust optimization under a policy-mode framework

Critical energy infrastructure are constantly under stress due to the ever increasing disruptions caused by wildfires, hurricanes, other weather related extreme events and cyber-attacks. Hence it becomes important to make critical infrastructure resilient to threats from such cyber-physical events. However, such events are hard to predict and numerous in nature and type and it becomes infeasible to make a system resilient to every possible such cyber-physical event. Such an approach can make the system operation overly conservative and impractical to operate. Furthermore, distributions of such events are hard to predict and historical data available on such events can be very sparse, making the problem even harder to solve. To deal with these issues, in this paper we present a policy-mode framework that enumerates and predicts the probability of various cyber-physical events and then a distributionally robust optimization (DRO) formulation that is robust to the sparsity of the available historical data. The proposed algorithm is illustrated on an islanded microgrid example: a modified IEEE 123-node feeder with distributed energy resources (DERs) and energy storage. Simulations are carried to validate the resiliency metrics under the sampled disruption events.

Nazir, Mohammad Nawaf↗
DOE OSTI2021

Moiré metrology of energy landscapes in van der Waals heterostructures

The emerging field of twistronics, which harnesses the twist angle between two-dimensional materials, represents a promising route for the design of quantum materials, as the twist-angle-induced superlattices offer means to control topology and strong correlations. At the small twist limit, and particularly under strain, as atomic relaxation prevails, the emergent moiré superlattice encodes elusive insights into the local interlayer interaction. Here we introduce moiré metrology as a combined experiment-theory framework to probe the stacking energy landscape of bilayer structures at the 0.1 meV/atom scale, outperforming the gold-standard of quantum chemistry. Through studying the shapes of moiré domains with numerous nano-imaging techniques, and correlating with multi-scale modelling, we assess and refine first-principle models for the interlayer interaction. We document the prowess of moiré metrology for three representative twisted systems: bilayer graphene, double bilayer graphene and H-stacked MoSe 2 /WSe 2 . Moiré metrology establishes sought after experimental benchmarks for interlayer interaction, thus enabling accurate modelling of twisted multilayers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

American-Made Solar Prize: Edgeli Enables DER Integration (CRADA 615) (Final Report)

The purpose of this project was to demonstrate how granular time series data and automated data transformation, and impact assessment tools could speed interconnection approvals for distributed energy resource projects of various types and sizes. Types included community solar, rooftop solar, and EV charging projects. Using software routines to automate the transformation of data (e.g. GIS) to a network database and power flow model then applying scenarios to create hourly (8760) hosting capacity values and voltage and thermal impacts for specific projects, we were able to demonstrate the feasibility of quickly assembling and analyzing key utility data sets for interconnection purposes. The outcomes of this effort will become the foundation for future work that will enhance and encapsulate the software components developed as part of this project, into web services (e.g. APIs) that can be integrated into queue management systems and automate interconnection screening processes.

14 SOLAR ENERGY↗
DOE OSTI2024

Electrostatically controlled spin polarization in Graphene-CrSBr magnetic proximity heterostructures

Abstract The magnetic proximity effect can induce a spin dependent exchange shift in the band structure of graphene. This produces a magnetization and a spin polarization of the electron/hole carriers in this material, paving the way for its use as an active component in spintronics devices. The electrostatic control of this spin polarization in graphene has however never been demonstrated so far. We show that interfacing graphene with the van der Waals antiferromagnet CrSBr results in an unconventional manifestation of the quantum Hall effect, which can be attributed to the presence of counterflowing spin-polarized edge channels originating from the spin-dependent exchange shift in graphene. We extract an exchange shift ranging from 27 – 32 meV, and show that it also produces an electrostatically tunable spin polarization of the electron/hole carriers in graphene ranging from − 50% to + 69% in the absence of a magnetic field. This proof of principle provides a starting point for the use of graphene as an electrostatically tunable source of spin current and could allow this system to generate a large magnetoresistance in gate tunable spin valve devices.

Science & Technology - Other Topics↗
DOE OSTI2021

Icypaw

The Intermode Communication Protocol Wrapper, or Icypaw, structures and facilitates communication between endpoints in a network. It is used to connect various independent software and hardware components into one loosely organized system controllable from one or more locations. The code uses the MQTT protocol to communicate and enhances it with a useful framework. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525. SAND2021-8293 O

Van Der Wall, JayW.↗
DOE OSTI2024

Langmuir adsorption model to assess the impact of silane coupling on nano-dispersion of silica in SBR

Surface active agents are often used to improve dispersion of nanoparticles. Quantitative correlation between these surface-active molecules and nanoscale dispersion is absent from the literature partly because a quantitative measure of nanoscale dispersion does not exist. Recently, we have developed the Virial-van der Waals method to quantify dispersion in nanocomposites using virial coefficients. In this paper, the Langmuir adsorption model is used to quantify the influence of surface-active agents on nano-scale dispersion in terms of the effective second virial coefficient B 2 *. The impact of silane coupling agent on the nano-dispersion and silica aggregate structure in precipitated silica/SBR nanocomposites is demonstrated. It is shown that the higher viscosity SBR matrix led to a greater silica aggregate structural breakup, while lower viscosity matrix improved surface silanization. The isomeric content of the SBR, which impacts the dielectric behavior, impacted whether the system could be modeled through a mean-field or specific interactions. We earlier showed that larger aggregates improve dispersion, and this is reaffirmed in these results. After account is made for aggregate size, nano-scale dispersion improves with the addition of silane coupling agent. The behavior is well modeled using Langmuir monolayer adsorption.

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

EMPOWERED Distributed Energy Resources Permit Accelerator Pilot

This report summarizes the EMPOWERED Distributed Energy Resources (DER) Permit Accelerator Pilot project. Its primary objective was to streamline the design, installation, permitting, and inspections of targeted Distributed Energy Resource (DER) solutions. Streamlining these processes is critical to strengthening and accelerating the adoption of DER solutions nationwide. Moreover, streamlined processes help expedite the clean energy transition and expand energy resilience by improving understanding and capability among key stakeholders like property owners, code officials, and the general workforce. The project team accomplished this by developing and deploying a set of design and permitting guides for simple DER solutions, which they rolled out via a permitting pilot program. The project team developed nine permitting and inspection guides for simple DER solutions, as follows: 1. Single-Family and Duplex: Electric Vehicle Service Equipment (EVSE), and Storage, Solar + Storage (each in two code cycles) 2. Multi-family and Office: EVSE, Storage, Solar + Storage (each in two code cycles) 3. A permitting process guide to support the implementation of the permitting guides. The guides cover key code requirements via plan review and field inspection checklists for code officials and building owners to follow to streamline the permitting and inspections process for DER solutions. Following the development of the initial set of guides, the project team formed two cohorts, each made up of four jurisdictions, to participate in the Permit Accelerator Pilot. Each cohort received training and technical assistance to support them in incorporating the guides into use. The project successfully engaged jurisdictions in two disparate US regions: Chelsea, Somerville, Natick, and Norwood in metro Boston; and Pima County, Town of Gilbert, Flagstaff, and Sedona in Arizona. Feedback gathered from the project was valuable in refining the guides to better address jurisdictional needs. After the pilot period, the project team developed final versions of the guides based on extensive feedback from the cohorts and from external technical peer review. Feedback included needs and barriers related to implementation, as well as detailed technical improvements from external peer review. The final guides were presented in a series of webinars with a national reach, with 192 attendees from 35 states in the live session of the final webinar, and the final guides are posted online and available for use nationwide. Key findings: • The most receptive jurisdictions were those adjacent to other jurisdictions that had already adopted similar initiatives. The least receptive jurisdictions were those in the midst of adopting new code cycles. • The most common barrier to jurisdictional adoption of new guidelines were internal administrative and process delays, more so than technical barriers. • The main technical barrier to adoption proved to be the concern of fire hazard risks posed by energy storage systems. There is some apprehension in the code enforcement community about the safety of the batteries. Education coordinated with fire and safety services will help alleviate concerns and increase confidence in the acceptance of innovative technologies. • Opportunities to further leverage and advance the guides and related resources include outreach, education, and jurisdictional support; updates to the resources to align with code cycle changes and local requirements; and advancements supporting emerging technologies.

14 SOLAR ENERGY↗
DOE OSTI2022

Strongly anisotropic electronic and magnetic structures in oxide dichlorides RuOCl 2 and OsOCl 2

The van der Waals oxide dichlorides MOX 2 (M=V, Ta, Nb, Ru, and Os; X=halogen element), with different electronic densities, are attracting considerable attention. Ferroelectricity, spin-singlet formation, and orbital-selective Peierls phases were reported in this family with d 1 or d 2 electronic configurations, all believed to be caused by the strongly anisotropic electronic orbital degree of freedom. Here, using density functional theory and density matrix renormalization group methods, we investigate the electronic and magnetic properties of RuOCl 2 and OsOCl 2 with d 4 electronic configurations. Different from a previous study using VOI 2 with d 1 configuration, these systems with 4d4 or 5d4 do not exhibit a ferroelectric instability along the a axis. Due to the fully occupied dxy orbital in RuOCl 2 and OsOCl 2 , the Peierls instability distortion disappears along the b axis, leading to an undistorted Immm phase (No. 71). Furthermore, we observe strongly anisotropic electronic and magnetic structures along the a axis. For this reason, the materials of our focus can be regarded as “effective one-dimensional” systems even when they apparently have a dominant two-dimensional lattice geometry. The large crystal-field splitting energy (between dxz/yz and dxy orbitals) and large hopping between nearest-neighbor Ru and Os atoms suppresses the J = 0 singlet state in MOCl 2 (M=Ru or Os) with electronic density n = 4, resulting in a spin-1 system. Moreover, we find staggered antiferromagnetic order with π wave vector along the M-O chain direction (a axis) while the magnetic coupling along the b axis is weak. Based on Wannier functions from first-principles calculations, we calculated the relevant hopping amplitudes and crystal-field splitting energies of the t 2g orbitals for the Os atoms to construct a multiorbital Hubbard model for the M-O chains. Staggered AFM with ↑|-|↓-↑|-|↓ spin structure dominates in our density matrix renormalization group calculations, in agreement with density functional theory calculations. Our results for RuOCl 2 and OsOCl 2 provide guidance to experimentalists and theorists working on this interesting family of oxide dichlorides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Determining the complex second-order optical susceptibility in macroscale van der Waals heterobilayers

In this work, we report on the experimental characterization of the second-order susceptibility in MoSe 2 /WS 2 heterobilayers, including their hidden complex phases. To this end, we developed a heterodyne-detection scheme for second-harmonic generation and applied it to macroscale heterobilayer samples prepared using the gold-tape exfoliation method. The heterodyne scheme enabled us to distinguish the relative orientation of the crystal domains, and furthermore, it allowed us to characterize the complex phases of the susceptibility relative to a reference quartz sample. By comparing the results from the monolayer regions and the heterobilayer region over several hundred microns of the sample area, we determined that the contribution of interlayer effects to second-harmonic generation is within the experimental uncertainty arising from the sample inhomogeneity. The results here provide fundamental quantitative information necessary for the precise design of nanophotonic systems based on stacking engineering.

2D materials↗
DOE OSTI2024

Field Demonstration of Residential DER Service-Oriented Load Participation

Amidst a concerning surge in power consumption during peak hours, coupled with heightened power grid instability, and driven by a growing demand for electricity, aggregations of Distributed Energy Resource are becoming a viable means for providing essential reliability services.Electric utility companies have proactively implemented Demand Response programs for decades. These programs employ Direct Load Control methods to enhance power grid stability, achieved by controlling customers’ Distributed Energy Resource during peak hours to reduce power consumption. However, a notable drawback of Direct Load Control has been high unenrollment rates of DR program participants due to customer discomfort.Therefore, the underlying issue of over-consumption persists. To address these concerns, this paper introduces a Service-Oriented Load Participation approach to providing grid services such as Demand Response. Leveraging a Service-Oriented Architecture, this method offers the advantage of efficient service management and provisioning within the system. The SOLP approach not only aims to reduce power consumption but also to maintain customer satisfaction by ensuring a comfortable grid service experience.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Data-driven studies of magnetic two-dimensional materials

We use a data-driven approach to study the magnetic and thermodynamic properties of van der Waals (vdW) layered materials. We investigate monolayers of the form A 2 B 2 X 6 , based on the known material Cr 2 Ge 2 Te 6 , using density functional theory (DFT) calculations and machine learning methods to determine their magnetic properties, such as magnetic order and magnetic moment. We also examine formation energies and use them as a proxy for chemical stability. We show that machine learning tools, combined with DFT calculations, can provide a computationally efficient means to predict properties of such two-dimensional (2D) magnetic materials. Our data analytics approach provides insights into the microscopic origins of magnetic ordering in these systems. For instance, we find that the X site strongly affects the magnetic coupling between neighboring A sites, which drives the magnetic ordering. Our approach opens new ways for rapid discovery of chemically stable vdW materials that exhibit magnetic behavior.

42 ENGINEERING↗
DOE OSTI2024

Deep-Learning-Based Multi-Timescale Load Forecasting in Buildings: Opportunities and Challenges from Research to Deployment

Electricity load forecasting for buildings and campuses is becoming increasingly important as the penetration of distributed energy resources (DERs) grows. Efficient operation and dispatch of DERs require reasonably accurate predictions of future energy consumption in order to conduct near-real-time optimized dispatch of on-site generation and storage assets. Electric utilities have traditionally performed load forecasting for load pockets spanning large geographic areas, and therefore, forecasting has not been a common practice by buildings and campus operators. Given the growing trends of research and prototyping in the grid-interactive efficient buildings domain, characteristics beyond simple algorithm forecast accuracy are important in determining the algorithm's true utility for smart buildings. Other characteristics include the overall design of the deployed architecture and the operational efficiency of the forecasting system. In this work, we present a deep-learning-based load forecasting system that predicts the building load at 1-hour intervals for 18 hours in the future. We also discuss challenges associated with the real-time deployment of such systems as well as the research opportunities presented by a fully functional forecasting system that has been developed within the National Renewable Energy Laboratory's Intelligent Campus program.

building load forecasting↗
DOE OSTI2021

Tunable room-temperature ferromagnetism in Co-doped two-dimensional van der Waals ZnO

The recent discovery of ferromagnetism in two-dimensional van der Waals crystals has provoked a surge of interest in the exploration of fundamental spin interaction in reduced dimensions. However, existing material candidates have several limitations, notably lacking intrinsic room-temperature ferromagnetic order and air stability. Here, motivated by the anomalously high Curie temperature observed in bulk diluted magnetic oxides, we demonstrate room-temperature ferromagnetism in Co-doped graphene-like Zinc Oxide, a chemically stable layered material in air, down to single atom thickness. Through the magneto-optic Kerr effect, superconducting quantum interference device and X-ray magnetic circular dichroism measurements, we observe clear evidences of spontaneous magnetization in such exotic material systems at room temperature and above. Transmission electron microscopy and atomic force microscopy results explicitly exclude the existence of metallic Co or cobalt oxides clusters. X-ray characterizations reveal that the substitutional Co atoms form Co 2+ states in the graphitic lattice of ZnO. By varying the Co doping level, we observe transitions between paramagnetic, ferromagnetic and less ordered phases due to the interplay between impurity-band-exchange and super-exchange interactions. Our discovery opens another path to 2D ferromagnetism at room temperature with the advantage of exceptional tunability and robustness.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Frustrated electron hopping from the orbital configuration in a two-dimensional lattice

Electron hopping on spatially periodic lattices gives rise to intriguing electronic behaviour. For example, hopping on the geometrically frustrated two-dimensional kagome, dice and Lieb lattices yields electronic band structures with both massless Dirac-like and perfectly dispersion-less, flat bands. As materials featuring the dice and Lieb lattice structures are scarce, an alternative approach proposes to leverage atomic orbitals to realize the characteristic electron hopping of geometrically frustrated lattices. This strategy promises to expand the list of candidate materials with frustrated electron hopping, but is yet to be shown in experiments. Here, in this study, we demonstrate frustrated hopping in the van der Waals intermetallic Pd 5 AlI 2 , emerging from the arrangement of atomic orbitals in a primitive square lattice. Using angle-resolved photoemission spectroscopy and quantum oscillation measurements, we reveal that the band structure of Pd 5 AlI 2 includes linear Dirac-like bands intersected at their crossing point by a locally flat band—an essential characteristic of frustrated hopping in Lieb and dice lattices. Moreover, this compound shows exceptional chemical stability, with its unusual bulk band structure and metallicity persisting in ambient conditions down to the monolayer limit. Hence, our results showcase a way to realize electronic structures characteristic of geometrically frustrated lattices in non-frustrated systems.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Terrace‐Edge‐Induced Domain Nucleation in Room‐Temperature 2D Magnetic Van Der Waals Heterostructures

Abstract Terrace‐edges, which are step‐like height discontinuities formed during layer stacking or exfoliation, can locally modify magnetic characteristics. Magnetic domain behavior and its structural dependence in a 2D van der Waals (vdW) heterostructure composed of two distinct room‐temperature ferromagnets: Fe 3 GaTe 2 , an intrinsic vdW ferromagnet, and vanadium‐doped WSe 2 , a transition metal dichalcogenide exhibiting defect‐induced magnetism, is investigated. Using magnetic transmission X‐ray microscopy, the formation and annihilation of magnetic domains are directly observed and it is found that domains preferentially form at terrace‐edges of the heterostructure. Micromagnetic simulations reveal that in‐plane magnetization tilting near the terrace‐edge results in a localized maximum in total magnetic energy that promotes domain formation. The findings highlight the significant role of structural edge features and interfacial magnetic interactions in determining domain formation in hybrid 2D vdW magnetic systems, offering a new route to spatially controlled magnetization at room temperature.

Lee, Jieun↗
DOE OSTI2024

Electrochemical Control of the Ultrafast Lattice Response of a Layered Semimetal

The unique layer-stacking in two-dimensional (2D) van der Waals materials facilitates the formation of nearly degenerate phases of matter and opens novel routes for the design of low-power, reconfigurable functional materials. Electrochemical ion intercalation between stacked layers offers a promising approach to stabilize bulk metastable phases and to explore the effects of extreme carrier doping and strain. However, in situ characterization methods to study the structural evolution and dynamical functional properties of these intercalated materials remains limited. Here a novel experimental platform is presented capable of simultaneously performing electrochemical lithium-ion intercalation and multimodal ultrafast characterization of the lattice using both electron diffraction and nonlinear optical techniques. Using the layered semimetal WTe 2 as a model system, the interlayer shear phonon mode that modulates stacking between 2Dlayers is probed, showing that small amounts of lithiation enhance the amplitude and lifetime of the phonon, contrary to expectations. This results from the dynamically fluctuating and anharmonic structure between nearly degenerate phases at room temperature, which can be stabilized by electronic carriers accompanying the inserted lithium ions. At high lithiation, the T d ’ structure emerges and quenches the phonon response. This work defines new approaches for using electrochemistry to engineer the dynamic structure of 2D materials.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Scale-Enhanced Magnetism in Exfoliated Atomically Thin Magnetite Sheets

The discovery of ferromagnetism in atomically thin layers at room temperature widens the prospects of 2D materials for device applications. Recently, two independent experiments demonstrated magnetic ordering in two dissimilar 2D systems, CrI 3 and Cr 2 Ge 2 Te 6 , at low temperatures and in VSe 2 at room temperature, but observation of intrinsic room-temperature magnetism in 2D materials is still a challenge. Here a transition at room temperature that increases the magnetization in magnetite while thinning down the bulk material to a few atom-thick sheets is reported. DC magnetization measurements prove ferrimagnetic ordering with increased magnetization and density functional theory calculations ascribe their origin to the low dimensionality of the magnetite layers. Additionally, surface energy calculations for different cleavage planes in passivated magnetite crystal agree with the experimental observations of obtaining 2D sheets from non-van der Waals crystals.

2D Magnetism↗