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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Oak Ridge National Laboratory Current Magnitude and Frequency Response of SIPROTEC Relays

This project examined the current magnitude and frequency response of 7SJ61 and 7SJ62 SIPROTEC relays. The measured sample frequencies for the 7SJ61 and 7SJS62 relays were 800 and 960 Hz, respectively. The relays were tested at frequencies of up to 1 and 20.16 kHz. Two experiments were run in a lab environment. The first experiment was run at frequencies of up to 1 kHz every 10 Hz. The second one was run at frequencies of up to 20.16 kHz every 200 and 240 Hz (common factors of sample rate frequency) for the 7SJ61 and 7SJ62 SIPROTEC relays, respectively. Both experiments were set at a current magnitude of 0.1 and 0.5 Arms. A testbed with a Relay Test Equipment (RTE) was set to run the experiment at frequencies of up to 1 kHz, while a testbed with a RTE and High Frequency Power Source/ Amplifier (HFPS/A) was set to run at frequencies of up to 20.16 kHz. Currents of 0.1 and 0.5 Arms at different frequencies were connected at Phase A of the relays, and a current of 1 Arms (60 Hz) was connected at Phase B of relays. The 1 Arms current allowed the relays to trip and saved their record events by setting both relays at a definite-time overcurrent protection function. The record events were collected after the 7SJ61 and 7SJ62 relays tripped, and the current magnitude and frequency were plotted. The record events from the relays were collected using the DIGSI® 4 software. The SYNCHROWAVE® Event and MATLAB® software were then used to plot the current magnitude and frequency, respectively, from the relay record events. The current magnitude and frequency were plotted at time and frequency domain, respectively.The 7SJ61 and 7SJ62 relays measured source frequencies of up to 400 and 480 Hz, respectively. The percentage error of frequency for the relays increased after 400 and 480 Hz, respectively. The 7SJ62 relay with 0.1 and 0.5 Arms measured the alias frequency up to 1440 Hz. The 7SJ61 relay with 0.1 and 0.5 Arms measured the alias frequency up to 1000 and 1200 Hz, respectively. At frequencies higher than the alias frequency, the relays measured a DC amplitude current instead of an AC amplitude current. In the DC amplitude current zone, non-desired frequencies were measured by both relays. The current magnitude intensity (dB) for the 7SJ61 and 7SJ62 relays from 1 to 20.16 kHz were plotted. The current magnitude intensity for the 7SJ61 relay decreased up to 2600 and 1200 Hz for 0.5 and 0.1 Arms tests, respectively. However, the current magnitude intensity for the 7SJ62 relay decreased up to 4800 and 2640 Hz for 0.5 and 0.1 Arms tests, respectively. The current magnitude and frequency response study for the 7SJ61 and 7SJ62 relays was performed satisfactorily, observing the source, alias, and non-desired measured frequency zones for both relays.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2017

Increased urine acylcarnitines in diabetic ApoE-/- mice: Hydroxytetradecadienoylcarnitine (C14:2-OH) reflects diabetic nephropathy in a context of hyperlipidemia

Hyperlipidemia is a risk factor for initiation and progression of diabetic nephropathy but the metabolic pathways altered in the diabetic kidney in a context of hyperlipidemia remain incompletely described. Assuming that changes in urine composition reflect the alteration of renal metabolism and function, we analyzed the urine metabolite composition of diabetic (streptozotocin-treatment) and control (non diabetic) ApoE−/− mice fed a high cholesterol diet using targeted quantitative metabolomics. Urine metabolome was also compared to the plasma metabolome of the same animals. As previously shown, urine albuminuria/urine creatinine ratio (uACR) and glomerular area and plasma lipids (cholesterol, triglycerides) were more elevated in diabetic mice compared to control. After adjustment to urine creatinine, the abundance of 52 urine metabolites was significantly different in diabetic mice compared to control. Among them was a unique metabolite, C14:2-OH (3-hydroxytetradecadienoylcarnitine) that, in diabetic mice, was positively and significantly correlated with uACR, glomerular hypertrophy, blood glucose and plasma lipids. That metabolite was not detected in plasma. C14:2-OH is a long-chain acylcarnitine reminiscent of altered fatty acid beta oxidation. Other acylcarnitines, particularly the short chains C3-OH, C3-DC, C4:1, C5-DC, C5-M-DC, C5-OH that are reminiscent of altered oxidation of branched and aromatic amino acids were also exclusively detected in urine but were only correlated with plasma lipids. Finally, the renal gene expression of several enzymes involved in fatty acid and/or amino acid oxidation was significantly reduced in diabetic mice compared to control. This included the bifunctional enoyl-CoA hydratase/3-hydroxyacyl-CoA (Ehhadh) that might play a central role in C14:2-OH production. This study indicate that the development of diabetes in a context of hyperlipidemia is associated with a reduced capacity of kidney to oxidize fatty acids and amino acids with the consequence of an elevation of urinary acetylcarnitines including C14:2-OH that specifically reflects diabetic nephropathy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Polarity dependent heating at the phase interface in metal-insulator transitions

We show that in a model of a metal photoexcited by a transient pump pulse resonant with a phonon mode, the absolute dc conductivity may become negative, depending on the interplay between the electronic structure, the phonon frequency, and the pump intensity. The analysis includes the effects of inelastic scattering and thermal relaxation. Results for the time evolution of the negative conductivity state are presented; the associated nonequilibrium physics may persist for long times after the pulse. Furthermore, our findings provide a theoretical justification for previously proposed phenomenology and indicate new routes to the generation and exploration of intrinsically nonequilibrium states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Probing topological phases in a perturbed Kane-Mele model via RKKY interaction: Application to monolayer jacutingaite Pt 2 ⁢HgSe 3

Quantum spin Hall insulators (QSHIs) leverage strong spin-orbit coupling (SOC) for efficient spin manipulation, making them promising for spintronics. Here, in this study, we investigate the noncollinear Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction between two magnetic impurities in a perturbed Kane-Mele model with strong SOC, relevant to monolayer jacutingaite Pt 2 ⁢HgSe 3 as a prominent QSHI. Following the previous studies that mainly focused on the model and its general applications, we provide a systematic examination of the effects of various perturbations and strong spin-orbit hybridizations, which drive phase transitions that have not been extensively explored before. By incorporating these perturbations into the model and accurately accounting for spin-orbit hybridizations through spin-space Green's functions and the RKKY interactions, we uncover distinct, relative (rather than absolute) signatures of different phase transitions. These phase transitions are induced by both static and dynamic perturbations on the magnetic impurities. Notably, we identify additional phases emerging from the interplay with the magnetic substrate. All these influence the switching between ferromagnetic and antiferromagnetic, as well as clockwise and counterclockwise magnetic interactions. Our results provide a practical way to track topological phases through magnetic properties, offering new insights into phase control and spin manipulation in QSHIs.

Kane-Mele model↗
DOE OSTI2021

Traveling wakefield tube: THz source powered by nonrelativistic electron beam

High peak power, tunable, narrowband terahertz emitters are becoming sought after given their portability, efficiency, and ability to be deployed in the field for industrial, medical, and military applications. The use of accelerator systems producing THz frequencies via Cherenkov radiation, generated by passing an electron beam through a slow-wave wakefield structure, is a promising method to meet future THz requirements. To date, efforts have been dedicated to analysis and design of sources utilizing laser seeded bunched electron beam drivers with relativistic energies beyond 5 MeV. Presented here is a wakefield THz generation scheme based on passing a long quasi-dc nonrelativistic beam (200 keV) through a dielectric loaded travelling wave structure. Reduced energy allows for compactness and portability of the accelerator as the size and weight of the dielectric slow wave structure is vanishingly small compared to the accelerator unit. The presented scheme can serve as a tunable high peak power THz source operated between 0.4-1.6 THz and produces power gain by a factor of five with an average efficiency of 6.8%

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

High-Power Electric Vehicle Charging Hub Integration Platform (eCHIP): Site Energy Management System Platform Development

A site energy management system is a critical component of future high-power EV charging hubs. It monitors and supervises all inter-hub operations, coordinates grid interactions, and implements energy management strategies and load-sharing controls at various levels and time scales. This report provides a comprehensive high-level overview and guidelines on the essential elements of such energy management systems. These elements primarily focus on the core functions, architecture, and monitoring aspects of site energy management. The core functions define the grid services and operational objectives that a charging hub is expected to provide and achieve. The architectural section investigates the coordination between hub assets, different control schemes, and their potential benefits and drawbacks. Lastly, the report discusses the needs, types, and functionalities of a monitoring and visualization system.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Renewable Integration in Hybrid ac-dc Systems using Multi-port Autonomous Reconfigurable Solar power plant (MARS)

To increase inertia and improve primary frequency response of future grids, grid-forming inverters connecting PV to grid and energy storage systems (ESSs) are likely to play an important role. Moreover, high-voltage direct current (HVdc) links will also be an enabler to transfer remote PV generation and for improved grid stability. That is, with increased penetration of PV, discrete development of PV and ESS connecting to transmission ac grid and HVdc links is one of the solutions for stable operation of grid. Here, an integrated concept for integration of PV and ESS to transmission ac grid and HVdc links is proposed that is named as multi-port autonomous reconfigurable solar power plant (MARS). The proposed integrated development reduces the cost associated with respect to discrete development of PV-ESS systems connecting to transmission ac grid and HVdc links. The integrated development incorporates advanced control methods to provide inertial and primary frequency response, reactive power support, and transient stability to manage PV and ESS resources. In this paper, high-fidelity switched system model of the integrated system and grids are developed and detailed simulation results are provided to showcase the stable operation of the integrated system and provision of grid support functions.

14 SOLAR ENERGY↗
DOE OSTI2025

Universal mass equation for equal-quantum excited-states sets II

We extend our recent study of the Universal Mass Equation for equal-quantum excited-states sets reported by Roper and Strakovsky (Eur Phys J A 61:102, 2025). The masses of twelve baryon sets and sixteen meson sets, with only two equal-quantum excited states in each set, using Breit-Wigner PDG2024 masses and their uncertainties at fixed J P for baryons and J PC for mesons, are fitted by a simple one-parameter logarithmic function, M n = α Ln(n) + M 1 , where n is the level of radial excitation. Two accurate masses that start a set are used to calculate four higher masses in the set accurately. It is noted that α values for $b\bar{b}$ equal-quantum excited-states sets accurately lie on a straight line, whose line parameters can be used to calculate α and predict higher mass states for $b\bar{b}$ sets that have only one known member.

Roper, L. David [Virginia Polytechnic Inst. and St↗
DOE OSTI2025

A chain stretch-based gradient-enhanced model for damage and fracture in elastomers

Similar to quasi-brittle materials, it has been recently shown that elastomers can exhibit a macroscopically diffuse damage zone that accompanies the fracture process. In this study, we introduce a stretch-based gradient-enhanced damage (GED) model that allows the fracture to localize and also captures the development of a physically diffuse damage zone. This capability contrasts with the paradigm of the phase field method for fracture, where a sharp crack is numerically approximated in a diffuse manner. Capturing fracture localization and diffuse damage in our approach is achieved by considering nonlocal effects that encompass network topology, heterogeneity, and imperfections. These considerations motivate the use of a statistical damage function dependent upon the nonlocal deformation state. From this model, fracture toughness is realized as an output. While GED models have been classically utilized for damage modeling of structural engineering materials (e.g., concrete), they face challenges when trying to capture the cascade from damage to fracture, often leading to damage zone broadening (de Borst and Verhoosel, 2016). This deficiency contributed to the popularity of the phase-field method over the GED model for elastomers and other quasi-brittle materials. Other groups have proceeded with damage-based GED formulations that prove identical to the phase-field method (Lorentz et al., 2012), but these inherit the aforementioned limitations. To address this issue in a thermodynamically consistent framework, we implement two modeling features (a nonlocal driving force bound and a simple relaxation function) specifically designed to capture the evolution of a physically meaningful damage field and the simultaneous localization of fracture, thereby overcoming a longstanding obstacle in the development of these nonlocal strain- or stretch-based approaches. Here, we discuss several numerical examples to understand the features of the approach at the limit of incompressibility, and compare them to the phase-field method as a benchmark for the macroscopic response and fracture energy predictions.

Elastomers↗
DOE OSTI2024

Electrochemically Regenerated Solvent for Direct Air Capture with Co-generation of Hydrogen at Bench-scale

The goal of this final project report is to summarize the work conducted on project DE-FE0032125. In accordance with the Statement of Project Objectives (SOPO), the University of Kentucky Institute for Decarbonization and Energy Advancement (UK IDEA) (Recipient) developed an intensified process to capture CO 2 from ambient conditions (415 ppm CO 2 ). The process combines low-temperature solvent-aided membrane capture with electrochemically-mediated solvent regeneration to simultaneously capture ambient CO 2 while regenerating the solvent. The technology employs only two primary units, a regenerator and an absorber/contactor, while generating high purity hydrogen as a co-product that can be sold, used for energy storage, or cost-saving depolarization of the direct air capture (DAC) system during the grid peak demand, allowing for flexible operation. Since the technology is powered directly by DC electricity, it can seamlessly tie in with power sources like solar cells without the need for AC/DC converters, therefore allowing for a remote operation to further mitigate greenhouse gas generation toward deploying a negative carbon emissions technology that is completely decoupled from the carbon emissions from the power source for the DAC unit. The completion of the project results in significant progress toward the Department of Energy’s (DOE’s) goal of advancing lab and bench-scale DAC systems to a sufficient maturity level that can justify their continued scale-up through the verification testing of the electrochemically regenerated solvent system for DAC with co-generation of hydrogen at bench-scale. The technology addressed the complexities of incumbent DAC systems by demonstrating at ambient conditions (1) low gas-side pressure-drop facile CO 2 capture via an intensified membrane absorber with in-situ regenerated hydroxide as capture solvent, (2) multi-functional electrochemical regenerator for hydroxide regeneration, CO 2 concentration and hydrogen production at less than 3 V, and (3) stable DAC performance including >90% capture with air influent at the CFM scale. The data from this project enables the completion of Techno-Economic Analysis (TEA) and Life Cycle Assessment (LCA). TEA and LCA demonstrate the potential of the proposed electrochemical solvent-based process to be a viable DAC option. The analysis did not identify any obvious concern for the bench-scale operation and no apparent barriers to implementing UK IDEA carbon capture and solvent regeneration system at a larger scale.

08 HYDROGEN↗
DOE OSTI2024

Experimentation in Exploring Photovoltaic Inverter Dynamics Under Different Irradiance Levels Through a Data-Driven Approach

As conventional direct connections of synchronous generators are being phased out, inverter-based resources (IBRs) with grid support functions are increasingly being integrated into power systems. This transition requires the development of accurate dynamic models for IBRs to predict how power systems will adapt to varying levels of IBRs penetration, establish grid code requirements, and ensure compliance. Here, this study introduces an active probing signal-based data-driven modeling technique to accurately derive the dynamics model of a smart photovoltaic inverter operating in Volt-Watt and Freq-Watt modes, in compliance with the IEEE 1547–2018 standard. The paper focuses on investigating how the dynamics of the PV inverter model respond to fluctuations in solar irradiance, utilizing real-time digital simulator experimentation. The experimental analysis demonstrates that the amplitude of dynamics fluctuates with changes in irradiance across both operational modes and confirms the active power’s dependence on irradiance levels. Furthermore, the nature of inverter dynamics varies distinctly between the different modes of activation. Critically, our findings indicate that dynamic models require DC-gain adjustments to accommodate contrasting irradiance levels, highlighting a negative gradient linear relationship between the DC-gain of each model and the irradiance.

14 SOLAR ENERGY↗
DOE OSTI2026

Structure−Property Relationships in a Series of Hybrid Halopyridinium Ruthenium(IV) Halides

Reported is the synthesis and characterization of a family of hybrid ruthenium halides consisting of haloruthenium octahedra (X = Cl, Br) charge balanced with halopyridinium (XPy; X= H, Cl, Br, I) organic cations which assemble via noncovalent interactions between ion pairs. Diffuse reflectance spectroscopy showed that compounds containing RuBr 6 2- octahedra displayed a lower bandgap (1.05 eV< x < 1.08 eV) compared to compounds with RuCl 6 2- octahedra (1.22 eV < x < 1.43 eV). Additionally, computational density functional theory (DFT) based natural bonding orbital (NBO) analysis and density of state (DOS) methods were used to characterize second-sphere non-covalent interaction strengths and elucidate molecular orbital perturbations to elucidate their influence on Ru-X orbital constructs and in turn rationalize band gap trends. Analyses showed ligand to metal charge transfer is responsible for the small bandgap energies and are unperturbed by second-sphere interactions. Here, this report serves as a platform for probing the relationship between the structural and photophysical properties within the haloruthenium family of low dimensional transition metal halide perovskites.

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

Full 3D Kinetic Modeling and Quantification of Positive Streamer Evolution in an Azimuthally Swept Pin-to-Plane Wedge Geometry

Cathode-directed streamer evolution in near atmospheric air is modeled in 3D pin-to-plane geometries using a 3D kinetic Particle-In-Cell (PIC) code that simulates particle-particle collisions via the Direct Simulation Monte Carlo (DSMC) method. Due to the computational challenges associated with a complete 360° volumetric domain, a practical alternative was achieved using a wedge domain and a range of azimuthal angles was explored (5°, 15°, 30°, and 45°) to study possible effects on the streamer growth and propagation due to the finite wedge angle. A DC voltage of 6 kV is administered to a hemispherical anode of radius 100 μm, with a planar cathode held at ground potential, generating an over-volted state with an electric field of 4 MV/m across a 1500 μm gap. The domain is seeded with an initial ion and electron density of 10 18 m -3 at 1 eV temperature confined to a spherical region of radius 100 μm centered at the tip of the anode. The air chemistry model [1] includes standard Townsend breakdown mechanisms (electron-neutral elastic, excitation, ionization, attachment, and detachment collision chemistry and secondary electron emission) as well as streamer mechanisms (photoionization and ion-neutral collisions) via tracking excited state neutrals which can then either quench via collisions or spontaneously emit a photon based on specific Einstein-A coefficients [2, 3]. In this work, positive streamer dynamics are formally quantified for each wedge angle in terms of electron velocity and density as temporal functions of coordinates r, Φ, and z. Applying a random plasma seed for each simulation, particles of interest are tracked with near femtosecond temporal resolution out to 1.4 ns and spatially binned. This process is repeated six times and results are averaged. Prior 2D studies have shown that the reduced electric field, E/n, can significantly impact streamer evolution [4]. We extend the analysis to 3D wedge geometries, to limit computational costs, and examine the wedge angle’s effect on streamer branching, propagation, and velocity. Results indicate that the smallest wedge angle that produced an acceptably converged solution is 30°. The potential effects that a mesh, when under-resolved with respect to the Debye length, can impart on streamer dynamics and numerical heating were not investigated, and we explicitly state here that the smallest cell size was approximately 10 times the minimum λ D in the streamer channel at late times. This constraint on cell size was the result of computational limitations on total mesh count.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

A stoichiometrically conserved homologous series with infinite structural diversity

Here, we describe a compositionally guided structural evolution within a stoichiometrically conserved framework, BaSbQ 3 (Q = Te 1−x S x ), where each value of x gives rise to a distinct phase. The fundamental building blocks, A 1 (BaSbSTe 2 ) and B n (Ba n Sb n S n−1 Te 2n+1 ), were composed of modular double rocksalt slabs stacked with functional polytelluride zigzag chains, with each phase differing only in the size and assembly of these blocks. Ten compounds were synthesized that maintained a coherent chemical identity that arose from this isovalent, isoelectronic substitution of Te and S. We envision that the phase formation at a molecular level unfolds in stages of extension, termination, and assembly and propose a design concept of “anionic disparity,” where phase homologies and polytelluride hierarchical networks can be controlled by leveraging differences in anion electron affinity and sizes.

Zhao, Hengdi [Argonne National Laboratory (ANL), A↗
DOE OSTI2022

AWC for Nuclear Material Transportation

Presentation to the Forefront22 Workshop in DC to NNSA DNN. Generalized presentation on Advanced Wireless Communications and areas where Nuclear Material Transportation may find interesting to investigate further for security and cybersecurity interests. Summary of the Forefront22 workshop Traditional wireless communication technologies, such as Wi-Fi and Cellular, have modernized industries worldwide. The Nuclear industry has also started to modernize its operations by utilizing wireless connectivity and is well poised to expand the use of wireless to an increasing number of use cases. The most recent cellular technology, called 5G for Fifth Generation, brings a transformation not only to wireless; but to industries worldwide by fueling the growth of Internet of Things (IoT) and Industrial IoT (IIoT). Availability of additional spectrum e.g., use of millimeter wave (mmWave) spectrum bands, is a critical boost to wireless growth. These advanced wireless technologies bring multiplicative gains in data rates, latency reduction, capacity growth, and localization accuracy, that can be harnessed for Nuclear Nonproliferation activities along with other mission critical applications. However, using these functional advances securely is of utmost important specially for these critical applications. The functional capabilities of these advanced technologies including 5G & Wi-Fi 6, and the associated security issues and mitigations will be discussed in this session. The future technologies including 6G which will follow 5G and newer versions of Wi-Fi will be also introduced.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2017

Mechanism of pathogen recognition by human dectin-2

Dectin-2, a C-type lectin on macrophages and other cells of the innate immune system, functions in response to pathogens, particularly fungi. The carbohydrate-recognition domain (CRD) in dectin-2 is linked to a transmembrane sequence that interacts with the common Fc receptor subunit to initiate immune signaling. The molecular mechanism by which dectin-2 selectively binds to pathogens has been investigated by characterizing the CRD expressed in a bacterial system. Competition binding studies indicated that the CRD binds to monosaccharides with modest affinity and that affinity was greatly enhanced for mannose-linked1-2 or1-4 to a second mannose residue. Glycan array analysis confirmed selective binding of the CRD to glycans that contain Man1-2Man epitopes. Crystals of the CRD in complex with a mammalian-type high-mannose Man9GlcNAc2 oligosaccharide exhibited interaction with Man1–2Man on two different termini of the glycan, with the reducing-end mannose residue ligated to Ca2 in a primary binding site and the nonreducing terminal mannose residue occupying an adjacent secondary site. Comparison of the binding sites in DC-SIGN and langerin, two other pathogen-binding receptors of the innate immune system, revealed why these two binding sites accommodate only terminal Man1-2Man structures, whereas dectin-2 can bind Man1–2Man in internal positions in mannans and other polysaccharides. The specificity and geometry of the dectin-2-binding site provide the molecular mechanism for binding of dectin-2 to fungal mannans and also to bacterial lipopolysaccharides, capsular polysaccharides, and lipoarabinomannans that contain the Man1-2Man disaccharide unit.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Ubiquitous Power Electronics in Future Power Systems: Recommendations to fully utilize fast control capabilities

Power electronics is becoming ubiquitous in power systems because the rapid growth of variable renewable generation such as wind and solar, responsive load, electric vehicles, energy storage, as well as DC transmission. As a result, a high percentage of electricity will be generated, transmitted or consumed by power electronics in the future power system. Such a high penetration of power electronics is changing power system operation landscapes and dynamic characteristics. Two major kinds of impact are reduced system mechanical inertia by inverter-based resources displacing conventional generation and active participation of many distributed energy resources through inverters. This has caused significant reliability challenges for power system operation. The mitigation approach so far has mostly focused on accommodating power electronics inverters as passive devices or creating synthetic inertias to make inverter-based generation behaving as conventional generators. However, the high-speed control capabilities of power electronics present new opportunities for achieving an optimal performance beyond conventional power systems. A lower-inertia system can be more responsive for improving reliability, and distributed small resources can be more adaptive and scalable for better flexibility and resilience. Power electronic inverters are capable of multiple fast control functions. To fully utilized the ubiquitous power electronics in power systems requires technology advancements in the following areas: data and communications to capture the new dynamic behaviors introduced by power electronics; modeling and simulation to understand the behaviors of power electronics and its interactions with other components in the context of power systems; control and optimization methods for fully utilizing the capabilities of power electronics for a new paradigm of performance beyond the traditional inertia-heavy system; and significant upgrades in power electronics hardware to cater to the new control capabilities. If properly controlled and optimized, power electronics can help transform the power system to be responsive, adaptive, and scalable.

Huang, Zhenyu↗
DOE OSTI2023

NWChem

NWChem is a computational chemistry software package which includes quantum chemical and molecular dynamics functionality. It aims to be scalable both in its ability to treat large problems efficiently, and in its usage of available parallel computing resources.

Apra, Edoardo [Pacific Northwest National Laborato↗