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At least 181 records · Page 10

GPU acceleration of local and semilocal density functional calculations in the SPARC electronic structure code

We present a Graphics Processing Unit (GPU)-accelerated version of the real-space SPARC electronic structure code for performing Kohn–Sham density functional theory calculations within the local density and generalized gradient approximations. In particular, we develop a modular math-kernel based implementation for NVIDIA architectures wherein the computationally expensive operations are carried out on the GPUs, with the remainder of the workload retained on the central processing units (CPUs). Here, using representative bulk and slab examples, we show that relative to CPU-only execution, GPUs enable speedups of up to 6× and 60× in node and core hours, respectively, bringing time to solution down to less than 30 s for a metallic system with over 14 000 electrons and enabling significant reductions in computational resources required for a given wall time.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Chemically Controllable Porous Polymer–Nanocrystal Composites with Hierarchical Arrangement Show Substrate Transport Selectivity

Functional organic–inorganic hybrid materials with tunable properties are useful across many application areas, ranging from gas storage to electronics, flame retardants, separations, and catalysis. Combining polymers, with a suite of functional groups and conformational flexibility, and inorganic nanoparticles, with tunable surface chemistry and composition, yields hybrids with novel functional properties. Specifically, in catalysis, control of the electronic environment at a metal interface is paramount in determining the catalytic properties. In this contribution, we describe a modular process to prepare porous polymer–nanocrystal (NC) composites in a hierarchical, multilayered synthesis, in which multiple parameters can be accurately tuned: polymer functional groups and the corresponding pore structure, the polymer layer thickness, and the NC size, shape, and composition. This process provides for a variety of controlled materials with high surface area, tunable chemistry, and thermal and chemical stabilities. Furthermore, we demonstrate their utility for shape- and size-selective catalytic conversions both in oxidation and hydrogenation reactions, where they show increased selectivity by orders of magnitude compared to conventional polymer-supported metal catalysts. In light of the high degree of control in the composite structure, this method allows for the design and realization of catalysts for several reactions and reaction environments and for nanomaterials with other applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modular 5-kW Power-Processing Unit Being Developed for the Next-Generation Ion Engine

The NASA Glenn Research Center is developing a 5- to 10-kW ion engine for a broad range of mission applications. Simultaneously, a 5-kW breadboard power-processing unit (PPU) is being designed and fabricated by Boeing Electron Dynamic Devices, Torrance, California, under contract with Glenn. The beam supply, which processes up to 90 percent of the power into this unit, consists of four 1.1-kW power modules connected in parallel, equally sharing the output current. The modular design allows scalability to higher powers as well as the possibility of implementing an N + 1 redundant beam supply. A novel phaseshifted/pulse-width-modulated, dual full-bridge topology was chosen for this module design for its efficient switching characteristics. A breadboard version of the beam power supply module was assembled. Efficiencies ranging between 91.6 and 96.9 percent were measured for an input voltage range of 80 to 160 V, an output voltage range of 800 to 1500 V, and output powers from 0.3 to 1.0 kW. This beam supply could result in a PPU with a total efficiency between 93 and 95 percent at a nominal input voltage of 100 V. This is up to a 4-percent improvement over the state-of-the-art PPU used for the Deep Space 1 mission. A flight-packaged PPU is expected to weigh no more than 15 kg, which represents a 50-percent reduction in specific mass from the Deep Space 1 design. This will make 5-kW ion propulsion very attractive for many planetary missions.

Pinero, Luis R.↗

Standard Modular Architecture for Consumer End Plug and Play Interfaces

The growth in load and generation sources at the edge of the grid is driving the innovation in power electronic (PE) grid interfaces at the consumer end to improve the grid resiliency, reliability, security, and cost of the future infrastructure. Novel PE technologies are key enablers for the future grid infrastructure to handle the issues that arise because of the projected growth. This paper introduces a novel fundamental building block (FBB) architecture with plug-and play features. An example framework that enables co-ordination of multiple FBBs hierarchically to provide various grid functions is also presented. The FBBs are designed to be equipped with advanced features like online health monitoring, embedded intelligence, and decision-making capability for enhancing the metrics of consumer end plug and play interfaces. The paper elaborates on the proposed architecture and the developed framework i.e., the controls, communication, protection, and the corresponding timing requirements for the building blocks. The architecture and the framework have been validated through simulations and the communication framework has been validated with a control hardware in the loop platform.

Chinthavali, Madhu Sudhan↗

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↗

Shaping Peptide Assemblies Using Multifaceted Cyclic Tectons

Constructing distinct biomacromolecular assemblies typically necessitates target-specific selection and engineering of building blocks alongside optimization of assembly conditions. The challenge lies in achieving diverse morphological outcomes using simple, shared modules under identical conditions, a hallmark of natural systems that remains elusive in synthetic approaches. Here, in this work, we present a molecular scaffold-based strategy to instruct the coassembly of the same set of peptides into a variety of nanostructures across multiple dimensions. We create trifaceted cyclic scaffolds to manipulate two pairs of dimeric coiled-coil peptides prior to coassembly. These scaffolds, with addressable and orthogonal modules, allow controlled exposure of their cohesive faces, directing the formation of nanotriangles and fibrillar and lamellar assemblies. By tuning interpeptide arrangements that dictate scaffold geometry, we construct nonstraight fibrils with tunable curvature, which are rarely observed before. Notably, these scaffolds exhibit plasticity in adapting the sizes and orientations of cohesive faces to different assembly morphologies. The resultant nanostructures are consistent with the design and simulation results, demonstrating the reliability and predictability of this approach. Multifaceted cyclic scaffolds bridge the intellectual and physical gaps between building peptides and assemblies, holding promise for endowing various existing assembly systems with high tunability and versatility.

assembly morphology↗

De novo protein design of photochemical reaction centers

Abstract Natural photosynthetic protein complexes capture sunlight to power the energetic catalysis that supports life on Earth. Yet these natural protein structures carry an evolutionary legacy of complexity and fragility that encumbers protein reengineering efforts and obfuscates the underlying design rules for light-driven charge separation. De novo development of a simplified photosynthetic reaction center protein can clarify practical engineering principles needed to build new enzymes for efficient solar-to-fuel energy conversion. Here, we report the rational design, X-ray crystal structure, and electron transfer activity of a multi-cofactor protein that incorporates essential elements of photosynthetic reaction centers. This highly stable, modular artificial protein framework can be reconstituted in vitro with interchangeable redox centers for nanometer-scale photochemical charge separation. Transient absorption spectroscopy demonstrates Photosystem II-like tyrosine and metal cluster oxidation, and we measure charge separation lifetimes exceeding 100 ms, ideal for light-activated catalysis. This de novo-designed reaction center builds upon engineering guidelines established for charge separation in earlier synthetic photochemical triads and modified natural proteins, and it shows how synthetic biology may lead to a new generation of genetically encoded, light-powered catalysts for solar fuel production.

59 BASIC BIOLOGICAL SCIENCES↗

Compact spectroscopy of keV to MeV X-rays from a laser wakefield accelerator

We reconstruct spectra of secondary X-rays from a tunable 250–350 MeV laser wakefield electron accelerator from single-shot X-ray depth-energy measurements in a compact (7.5 × 7.5 × 15 cm), modular X-ray calorimeter made of alternating layers of absorbing materials and imaging plates. X-rays range from few-keV betatron to few-MeV inverse Compton to > 100 MeV bremsstrahlung emission, and are characterized both individually and in mixtures. Geant4 simulations of energy deposition of single-energy X-rays in the stack generate an energy-vs-depth response matrix for a given stack configuration. An iterative reconstruction algorithm based on analytic models of betatron, inverse Compton and bremsstrahlung photon energy distributions then unfolds X-ray spectra, typically within a minute. We discuss uncertainties, limitations and extensions of both measurement and reconstruction methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Low power CAMAC and NIM modular systems for spaceflight use on Shuttle and Spacelab missions

The advent of the Shuttle launch vehicle and Spacelab have resulted in adequate weight and volume such that experiment electronics can be implemented at relatively low cost using spaceflight versions of CAMAC and NIM modules. Studies of 10 modules by manufacturers have shown that power reduction overall by a factor of about 3 can be accomplished. This is adequate both from the point of view of consumption and temperature rise in vacuum. Our studies have shown that a stock of about 45 module types is required and a listing is given. The changes required in these modules in order to produce spaceflight versions are described. And finally, the further studies, prototyping and testing leading to eventual flight qualification are described.

Trainor, J. H.↗

Modular droplet actuator drive

A droplet actuator drive including a detection apparatus for sensing a property of a droplet on a droplet actuator; circuitry for controlling the detection apparatus electronically coupled to the detection apparatus; a droplet actuator cartridge connector arranged so that when a droplet actuator cartridge electronically is coupled thereto: the droplet actuator cartridge is aligned with the detection apparatus; and the detection apparatus can sense the property of the droplet on a droplet actuator; circuitry for controlling a droplet actuator coupled to the droplet actuator connector; and the droplet actuator circuitry may be coupled to a processor.

Pollack, Michael G.↗

Electronic Repair Concepts for Long-Duration Spaceflight

Constraints on the mass and volume that can be allocated for electronics spares and repair equipment on long-duration space missions mean that NASA must look at repair strategies beyond the traditional approach, which has been to replace faulty subsystems in a modular form, termed Orbital Replacement Units or Line Replacement Units. Other possible strategies include component and board-level replacement, modular designs that allow reprogramming of less-critical systems to take the place of more critical failed systems, and a blended approach which uses elements of each of these approaches, along with a limited number of Line Replacement Units. This paper presents some of the constraints and considerations that affect the decision on how to approach electronics repair for long duration space missions, and discusses the benefits and limitations of each of the previously mentioned strategies.

Easton, John↗

Semi-Automated Diagnosis, Repair, and Rework of Spacecraft Electronics

NASA's Constellation Program for Exploration of the Moon and Mars places human crews in extreme isolation in resource scarce environments. Near Earth, the discontinuation of Space Shuttle flights after 2010 will alter the up- and down-mass capacity for the International Space Station (ISS). NASA is considering new options for logistics support strategies for future missions. Aerospace systems are often composed of replaceable modular blocks that minimize the need for complex service operations in the field. Such a strategy however, implies a robust and responsive logistics infrastructure with relatively low transportation costs. The modular Orbital Replacement Units (ORU) used for ISS requires relatively large blocks of replacement hardware even though the actual failed component may really be three orders of magnitude smaller. The ability to perform in-situ repair of electronics circuits at the component level can dramatically reduce the scale of spares and related logistics cost. This ability also reduces mission risk, increases crew independence and improves the overall supportability of the program. The Component-Level Electronics Assembly Repair (CLEAR) task under the NASA Supportability program was established to demonstrate the practicality of repair by first investigating widely used soldering materials and processes (M&P) performed by modest manual means. The work will result in program guidelines for performing manual repairs along with design guidance for circuit reparability. The next phase of CLEAR recognizes that manual repair has its limitations and some highly integrated devices are extremely difficult to handle and demand semi-automated equipment. Further, electronics repairs require a broad range of diagnostic capability to isolate the faulty components. Finally repairs must pass functional tests to determine that the repairs are successful and the circuit can be returned to service. To prevent equipment demands from exceeding spacecraft volume capacity and skill demands from exceeding crew time and training limits, the CLEAR project is examining options provided by non-real time tele-operations, robotics, and a new generation of diagnostic equipment. This paper outlines a strategy to create an effective repair environment where, with the support of ground based engineers, crewmembers can diagnose, repair and test flight electronics in-situ. This paper also discusses the implications of successful tele-robotic repairs when expanded to rework and reconfiguration of used flight assets for building Constellation infrastructure elements.

Struk, Peter M.↗

Synthesis and characterization of low-dimensional N-heterocyclic carbene lattices

The covalent interaction of N-heterocyclic carbenes (NHCs) with transition metal atoms gives rise to distinctive frontier molecular orbitals (FMOs). These emergent electronic states have spurred the widespread adoption of NHC ligands in chemical catalysis and functional materials. Although formation of carbene-metal complexes in self-assembled monolayers on surfaces has been explored, design and electronic structure characterization of extended low-dimensional NHC-metal lattices remains elusive. Here, in this work, we demonstrate a modular approach to engineering one-dimensional (1D) metal-organic chains and two-dimensional (2D) Kagome lattices using the FMOs of NHC–Au–NHC junctions to create low-dimensional molecular networks exhibiting intrinsic metallicity. Scanning tunneling spectroscopy and first-principles density functional theory reveal the contribution of C–Au–C π-bonding states to dispersive bands that imbue 1D- and 2D-NHC lattices with exceptionally small work functions.

Qie, Boyu↗

Efficient continuous-wave normal conducting accelerator for industrial applications

A normal conducting, high power, high efficiency copper linear accelerator prototype is being developed for industrial applications. The system will be powered by low-cost high-efficiency magnetron RF sources and will use a gridded thermionic cathode electron gun. Leveraging the significant accelerator expertise at JLab and industry partners, these technologies will be combined to deliver high-power (>100 kW) electron beams with energies of 1 MeV or higher that are cost-effective to produce and operate. The design is modular such that energy and power can be increased by adding additional sections as required. The status of the design, prototype fabrication and plans for a beam demonstration at JLab are described.

Accelerator Physics↗

Tactically Extensible and Modular Communications - X-Band TEMCOM-X

This paper will discuss a proposed CubeSat size (3U) telemetry system concept being developed at Marshall Space Flight Center (MSFC) in cooperation with the U.S. Department of the Army and Dynetics Corporation. This telemetry system incorporates efficient, high-bandwidth communications by developing flight-ready, low-cost, Protoflight software defined radio (SDR) and Electronically Steerable Patch Array (ESPA) antenna subsystems for use on platforms as small as CubeSats and unmanned aircraft systems (UASs). The current telemetry system is slightly larger in dimension of footprint than required to fit within a 0.5U CubeSat volume. Extensible and modular communications for CubeSat technologies will partially mitigate current capability gaps between traditional strategic space platforms and lower-cost small satellite solutions. Higher bandwidth capacity will enable high-volume, low error-rate data transfer to and from tactical forces or sensors operating in austere locations (e.g., direct imagery download, unattended ground sensor data exfiltration, interlink communications), while also providing additional bandwidth and error correction margin to accommodate more complex encryption algorithms and higher user volume.

Sims, William Herbert↗

Integrated avionics for future general aviation aircraft

The program described was initiated in 1975 to provide the critical information for the design of an advanced avionics system suitable for general aviation. Emphasis is on the use of data busing, distributed microsensors, shared electronic displays and pilot entry devices, innovative low-cost sensors, and improved functional characteristics. Design considerations include cost, reliability, maintainability, and modularity.

Denery, D. G.↗

Alternate charging profiles for the onboard nickel cadmium batteries of the Explorer Platform/Extreme Ultraviolet Explorer

The Explorer Platform/Extreme Ultraviolet Explorer (EP/EUVE) spacecraft power is provided by the Modular Power Subsystems (MPS) which contains three 50 ampere-hour Nickel Cadmium (NiCd) batteries. The batteries were fabricated by McDonnell Douglas Electronics Systems Company, with the cells fabricated by Gates Aerospace Batteries (GAB), Gainesville, Florida. Shortly following launch, the battery performance characteristics showed similar signatures as the anomalous performance observed on both the Upper Atmosphere Research Satellite (UARS) and the Compton Gamma Ray Observatory (CGRO). This prompted the development and implementation of alternate charging profiles to optimize the spacecraft battery performance. The Flight Operations Team (FOT), under the direction of Goddard Space Flight Center's (GSFC) EP/EUVE Project and Space Power Applications Branch have monitored and managed battery performance through control of the battery Charge to Discharge (C/D) ratio and implementation of a Solar Array (SA) offset. This paper provides a brief overview of the EP/EUVE mission, the MPS, the FOT's battery management for achieving the alternate charging profile, and the observed spacecraft battery performance.

Rao, Gopalakrishna M.↗