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At least 883 records · Page 49

Excitation variance matching with limited configuration interaction expansions in variational Monte Carlo

In the regime where traditional approaches to electronic structure cannot afford to achieve accurate energy differences via exhaustive wave function flexibility, rigorous approaches to balancing different states’ accuracies become desirable. As a direct measure of a wave function’s accuracy, the energy variance offers one route to achieving such a balance. Here, we develop and test a variance matching approach for predicting excitation energies within the context of variational Monte Carlo and selective configuration interaction. In a series of tests on small but difficult molecules, we demonstrate that the approach it is effective at delivering accurate excitation energies when the wave function is far from the exhaustive flexibility limit. Results in C3, where we combine this approach with variational Monte Carlo orbital optimization, are especially encouraging.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Many-body perturbation theory for understanding optical excitations in organic molecules and solids

Semiconductors composed of organic molecules are promising as components for flexible and inexpensive optoelectronic devices, with many recent studies aimed at understanding their electronic and optical properties. In particular, computational modeling of these complex materials has provided new understanding of the underlying properties which give rise to their excited-state phenomena. Here, this article provides an overview of recent many-body perturbation theory (MBPT) studies of optical excitations within organic molecules and solids. We discuss the accuracy of MBPT within the GW/BSE approach in predicting excitation energies and absorption spectra, and assess the impact of two commonly used approximations, the DFT starting point and the Tamm–Dancoff approximation. Moreover, we summarize studies that elucidate the role of solid-state structure on the nature of excitons in organic crystals. These studies show that a rich physical understanding of organic materials can be obtained from GW/BSE.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Glass Dielectrics in Extreme High‐Temperature Environment

Thin and flexible glass ribbons can be rolled into a film capacitor structures for power electronic circuits. Glass has excellent electrical properties and is a leading candidate to replace polymer films for high‐temperature applications. The dielectric properties of a low‐alkali aluminoborosilicate glass were characterized up to temperatures of 400°C. Low‐field permittivity values of 6 with dielectric loss below 0.01 were found for temperatures below 300°C. The dielectric breakdown strength exceeded 5 MV/cm for temperature of 400°C and high‐field polarization measurements showed that glass has over 95% energy efficiency at temperatures of 200°C, which is a target temperature for high‐temperature power electronic circuits driven by wide bandgap semiconductor devices.

Gao, Jun↗

WizEM

The software provides a flexible pipeline for artificial intelligence (AI) assisted analysis of data collected from an electron microscope. This tool distinctly provides near real-time image quantification results during data collection, incorporating feedback from a user to tune performance.

Akers, Sarah [Pacific Northwest National Laborator↗

An overview of the operation architectures and energy management system for multiple microgrid clusters

The emerging novel energy infrastructures, such as energy communities, smart building-based microgrids, electric vehicles enabled mobile energy storage units raise the requirements for a more interconnective and interoperable energy system. It leads to a transition from simple and isolated microgrids to relatively large-scale and complex interconnected microgrid systems named multi-microgrid clusters. In order to efficiently, optimally, and flexibly control multi-microgrid clusters, cross-disciplinary technologies such as power electronics, control theory, optimization algorithms, information and communication technologies, cyber-physical, and big-data analysis are needed. This paper introduces an overview of the relevant aspects for multi-microgrids, including the outstanding features, architectures, typical applications, existing control mechanisms, as well as the challenges.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Long-life, space-maintainable nuclear stage regulators and shutoff valves

The six most promising valve, regulator, and remote coupling concepts, representing the more radical designs from twenty concepts generated, were investigated. Of the three valves, one has no moving parts because shutoff sealing is accomplished by an electromagnetic field which ionized the flowing fluid. Another valve uses liquid metal to obtain sealing. In the third valve, high sealing forces are generated by heating and expanding trapped hydrogen. The pressure regulator is an electronically controlled, electromechanically operated, single state valve. Its complexity is in electronic circuitry, and the design results in less weight, increased reliability and performance flexibility, and multipurpose application. The two remote couplings feature the minimization of weight and mechanical complexity. One concept uses a low melting temperature metal alloy which is injected into the joint cavity; upon solidification, the alloy provides a seal and a structural joint. The second concept is based on the differential thermal expansion of the coupling mating parts. At thermal equilibrium there is a predetermined interference between the parts, and sealing is achieved by interference loading.

Source record↗

Practical design considerations for a flightworthy higher harmonic control system

The paper discusses the design of a higher harmonic blade pitch control system for flight testing on an OH-6A helicopter. Alternative designs for both the mechanical and electronic subsystems are also presented. Among the recommendations set forth are: (1) use electronic analog methods instead of FFT software, delegating spectral analysis and self testing to an Electronic Control Unit; (2) use a digital rather than analog computer for increased flexibility in solution processing; and (3) locate HHC actuators in the nonrotating system and separate these actuators from the primary control system. It is concluded that a target weight for a prototype control system would be less than 1% of design gross weight and the production weight of the future HHC system may be 0.5 of the weight of the aircraft.

Wood, E. R.↗

High temperature (Al2O3) insulation and light weight conductors

The of an aluminum conductor with an aluminum oxide insulation film was investigated. Aluminum oxide insulated wire or strip (with a melting point of 2050 C) is unique for applications in the electronic, missile, atomic reactor, aerospace, and aircraft industries. The oxide film is highly flexible, suitable for all windings of any size and shape of coil (magnetic). Briefly touched upon are the ultraviolet, proton gamma radiation uses, as well as high vacuum and cryogenic applications. Since the film is inorganic and chemically inert, it does not age or deteriorate in storage and has good dielectric properties (1000 volts per mil).

Walker, H.↗

Microstructure and nanoindentation of the rostrum of Curculio longinasus Chittenden, 1927 (Coleoptera: Curculionidae)

The rostrum is an extension of the cuticle of the head of weevils (Coleoptera: Curculionidae) and is often used to bore holes for oviposition (the process of laying eggs) into host plant tissue where larval development occurs. In members of the genus Curculio Linnaeus, 1758, the rostrum is long, slender, and strongly curved, but is nevertheless used to excavate straight bore-holes in the fruit of various host plants, through significant deformation of this structure. In this study, scanning electron microscopy (SEM) was used to examine the rostrum of Curculio longinasus Chittenden, 1927, leading to a microstructural model that describes its deformation behavior. Specifically, we used the continuous stiffness measurement (CSM) technique in nanoindentation to measure the Young's modulus and hardness of rostrum. The values of Young's modulus and hardness for the endocuticle were measured to be 8.91 ± 0.93 GPa and 558 ± 60 MPa, respectively. These results are critical for generating accurate finite element models of the head's mechanical behavior while it undergoes deformation. - Highlights: •SEM was used to examine the rostrum of Curculio longinasus Chittenden, 1927. •Nanoindentation to measure the Young's modulus and hardness of rostrum. •Results are critical for finite element models of the head's mechanical behavior.

36 MATERIALS SCIENCE↗

High-performance polyimide nanocomposites with core-shell AgNWs@BN for electronic packagings

The increasing density of electronic devices underscores the need for efficient thermal management. Silver nanowires (AgNWs), as one-dimensional nanostructures, possess a high aspect ratio and intrinsic thermal conductivity. However, high electrical conductivity of AgNWs limits their application for electronic packaging. We synthesized boron nitride-coated silver nanowires (AgNWs@BN) using a flexible and fast method followed by incorporation into synthetic polyimide (PI) for enhanced thermal conductivity and dielectric properties of nanocomposites. The thinner boron nitride intermediate nanolayer on AgNWs not only alleviated the mismatch between AgNWs and PI but also enhanced their interfacial interaction. Hence, the maximum thermal conductivity of an AgNWs@BN/PI composite with a filler loading up to 20% volume was increased to 4.33 W/m K, which is an enhancement by nearly 23.3 times compared with that of the PI matrix. The relative permittivity and dielectric loss were about 9.89 and 0.015 at 1 MHz, respectively. Compared with AgNWs@SiO{sub 2}/PI and Ag@BN/PI composites, boron nitride-coated core-shell structures effectively increased the thermal conductivity and reduced the permittivity of nanocomposites. The relative mechanism was studied and discussed. This study enables the identification of appropriate modifier fillers for polymer matrix nanocomposites.

36 MATERIALS SCIENCE↗

Converting information from paper to optical media

The technology of converting large amounts of paper into electronic form is described for use in information management systems based on optical disk storage. The space savings and photographic nature of microfiche are combined in these systems with the advantages of computerized data (fast and flexible retrieval of graphics and text, simultaneous instant access for multiple users, and easy manipulation of data). It is noted that electronic imaging systems offer a unique opportunity to dramatically increase the productivity and profitability of information systems. Particular attention is given to the CALS (Computer-aided Aquisition and Logistic Support) system.

Deaton, Timothy N.↗

Stabilization and control of persistent current magnets using variable inductance

Ultra-stable, tunable magnetic fields are desirable for a wide range of applications in medical imaging, electron microscopy, quantum science, and atomic physics. Superconducting magnets operated in persistent current mode, with device current flowing in a closed superconducting loop disconnected from a power source, are a common approach for applications with the most stringent requirements on temporal field stability. In this work, we present a method for active control of this persistent current by means of dynamic inductance change within the superconducting circuit. For a first realization of this general technique, we consider a variable superconducting inductor placed in series with the main magnet. The inductor acts as a dynamic flux storage device capable of transferring flux to or from the main magnet through inductance change. This allows for fine and fast adjustments of the persistent current without the use of thermal switches that limit the speed and accuracy of many present-day methods. With first experiments employing this technique, we demonstrate stabilization of a 1.95 T Nb–Ti round lens for electron microscopy against decay resulting from residual losses in the superconducting circuit, and more generally show flexibility for precise control over the magnitude and waveform of the persistent current.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

KLL dielectronic recombination resonant strengths of He-like up to O-like tungsten ions

Dielectronic recombination (DR) is an important process in hot plasma physics as well as in atomic structure and collision theory. This work reports the studies of the KLL DR resonance strengths of He-, Li-, Be-, B-, C-, N-, and O-like tungsten ions, through both experiment and calculation. The experimental resonance strengths were determined within uncertainty below 11% at the Shanghai electron beam ion trap by employing a fast electron beam-energy scanning technique. A fully relativistic configuration interaction method implemented in the flexible atomic code was employed to calculate DR process and also radiative recombination (RR). The consideration of the interference effect between DR and RR was revealed to be necessary to determine the resonance strength.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Self-consistent modelling of electrochemical strain microscopy in mixed ionic-electronic conductors: Nonlinear and dynamic regimes

The frequency dependent Electrochemical Strain Microscopy (ESM) response of mixed ionic-electronic conductors is analyzed within the framework of Fermi-Dirac statistics and the Vegard law, accounting for steric effects from mobile donors. The emergence of dynamic charge waves and nonlinear deformation of the surface in response to bias applied to the tip-surface junction is numerically explored. The 2D maps of the strain and concentration distributions across the mixed ionic-electronic conductor and bias-induced surface displacements are calculated. The obtained numerical results can be applied to quantify the ESM response of Li-based solid electrolytes, materials with resistive switching, and electroactive ferroelectric polymers, which are of potential interest for flexible and high-density non-volatile memory devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Grid-Connected Modular Soft-Switching Solid State Transformers (M-S4T)

The objective of this project is to develop and verify the concept of a flexible and modular soft-switching solid-state transformer (M-S4T) for direct grid-connected applications. The ability to directly connect power electronics converters to the medium voltage grid (4 kV – 13 kV), and to potentially replace the passive and bulky, but ubiquitous 60 hertz service transformer in the 25 kVA to 100 kVA range, with a more flexible and controllable device, has been regarded as the ‘holy grail’ in grid control. However, this has proven to be extremely difficult. This project has developed the solutions to several key challenges of the direct grid-connected power electronics and realized a 7.2 kV M-S4T prototype. First, a protection method to protect the M-S4T from the high voltages (110 kV for the 13 kV system) that occur on the grid due to transients and lightning strikes have been developed and experimentally verified. Second, the realization and the operation of the M-S4T based on high-voltage SiC devices (>3.3 kV) and a medium-frequency medium-voltage low-leakage transformer in a single-stage solid-state transformer with zero-voltage switching, low dv/dt, and low electromagnetic interference has been successfully demonstrated up to 7.5 kV peak. Third, an oil-cooling system and stable communication and distributed control system for converter module voltage sharing have been developed and experimentally verified. The developed M-S4T has realized a modular universal high-performance power conversion system. This conversion system is scalable to different voltage and power levels and adaptable to four-quadrant bidirectional operation. Moreover, the use of passive cooling techniques meets the equipment life requirements, and the lightning protection scheme fulfills the basic insulation level specifications for direct grid connection. Such power conversion system opens up near-term opportunities, including energy storage, solar PV, or electric vehicle charging with significant cost and footprint savings. In the longer term, the possibility of replacing the utility distribution transformer with an M-S4T will be transformative for future distribution grids with a compact footprint and full controllability to enable high renewable energy and storage penetration. In addition to the main project, this report expands on the Plus-Up projected including as part of the main award. This project developed and demonstrated the technology for autonomous collaborative inverters that can be connected in an ad hoc manner to the grid. The aim of the project was to: (1) evaluate the existing techniques for grid-connected inverters and find their limitations; (2) develop detailed requirements for grid-connected inverters in the modern grid with millions of active nodes; (3) design a unified control strategy that brings more autonomy and intelligence to grid-connected inverters, and addresses parts of the issues with the existing techniques. The proposed technique, called UniCon, enables inverters to 1) connect/disconnect to/from the grid in an ad hoc manner; (2) work based on local sensing. Slow communication could be used for a more optimized behavior; (3) work automatically in both grid-forming/grid-following mode; (4) handle large disturbances, e.g., big load step and fault, in an oscillation-free manner; (5) work collaboratively with other inverters in steady-state and during transients. UniCon can be implemented in the middle-level control; hence it is agnostic to the vendor and to the implementation of the inner voltage/current and protection loops. Furthermore, a new synchronization scheme, based on deep learning, was developed that can extract the grid voltage phase and amplitude in a stable manner. The method is cheap to implement can improve the dynamic performance of the grid-connected inverters during fast transients, e.g., fault. The proposed control scheme was validated by (1) MATLAB/Simulink; (2) hardware-in-the-loop results, and; (3) experimental results using three inverters that form a microgrid in a down-scaled feeder. Lastly, both the M-S4T and UniCon have achieved promising tangible paths to markets. In the case of the M-S4T, the underlying technology — the Soft Switching Solid State Transformer (S4T) developed at the Georgia Tech Center for Distributed Energy (GT-CDE) has been licensed by GridBlock from the Georgia Tech Research Corporation, and GridBlock has been working with manufacturing partner Jabil (one of the largest US-based contract manufacturers) and system integrator Power Secure (largest deployer of microgrids in the US with 4.7 GW under management), to meet the strong initial demand. Similarly, GridBlock has an exclusive license to the UniCon technology, developed under this award by GT-CDE. The UniCon provides an intermediate control layer that enables the implementation of the higher-level ‘transactive’ control commands for the system. The architecture of the system - slow communications with the cloud for system optimization and setpoints, and the use of locally measured quantities for real-time control, provide a very robust and secure way of implementing a real-time must-run grid that is also secure and stable. This is a brand-new functionality that is critical for the future grid and key to GridBlock’s business model.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Molecular beam epitaxy of single crystalline GaN nanowires on a flexible Ti foil

We demonstrate the self-assembled growth of vertically aligned GaN nanowire ensembles on a flexible Ti foil by plasma-assisted molecular beam epitaxy. The analysis of single nanowires by transmission electron microscopy reveals that they are single crystalline. Low-temperature photoluminescence spectroscopy demonstrates that in comparison to standard GaN nanowires grown on Si, the nanowires prepared on the Ti foil exhibit an equivalent crystalline perfection, a higher density of basal-plane stacking faults, but a reduced density of inversion domain boundaries. The room-temperature photoluminescence spectrum of the nanowire ensemble is not influenced or degraded by the bending of the substrate. The present results pave the way for the fabrication of flexible optoelectronic devices based on GaN nanowires on metal foils.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Flexible, highly efficient all-polymer solar cells

All-polymer solar cells have shown great potential as flexible and portable power generators. These devices should offer good mechanical endurance with high power-conversion efficiency for viability in commercial applications. In this work, we develop highly efficient and mechanically robust all-polymer solar cells that are based on the PBDTTTPD polymer donor and the P(NDI2HD-T) polymer acceptor. These systems exhibit high power-conversion efficiency of 6.64%. Also, the proposed all-polymer solar cells have even better performance than the control polymer-fullerene devices with phenyl-C61-butyric acid methyl ester (PCBM) as the electron acceptor (6.12%). More importantly, our all-polymer solar cells exhibit dramatically enhanced strength and flexibility compared with polymer/PCBM devices, with 60- and 470-fold improvements in elongation at break and toughness, respectively. The superior mechanical properties of all-polymer solar cells afford greater tolerance to severe deformations than conventional polymer-fullerene solar cells, making them much better candidates for applications in flexible and portable devices.

14 SOLAR ENERGY↗

Approximation of Engine Casing Temperature Constraints for Casing Mounted Electronics

The performance of propulsion engine systems is sensitive to weight and volume considerations. This can severely constrain the configuration and complexity of the control system hardware. Distributed Engine Control technology is a response to these concerns by providing more flexibility in designing the control system, and by extension, more functionality leading to higher performing engine systems. Consequently, there can be a weight benefit to mounting modular electronic hardware on the engine core casing in a high temperature environment. This paper attempts to quantify the in-flight temperature constraints for engine casing mounted electronics. In addition, an attempt is made at studying heat soak back effects. The Commercial Modular Aero Propulsion System Simulation 40k (C-MAPSS40k) software is leveraged with real flight data as the inputs to the simulation. A two-dimensional (2-D) heat transfer model is integrated with the engine simulation to approximate the temperature along the length of the engine casing. This modification to the existing C-MAPSS40k software will provide tools and methodologies to develop a better understanding of the requirements for the embedded electronics hardware in future engine systems. Results of the simulations are presented and their implications on temperature constraints for engine casing mounted electronics is discussed.

Engine↗