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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 1,135 records · Page 63
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Oxidation-Induced Polymerization of InP Surface and Implications for Optoelectronic Applications

InP is among the most studied materials for energy-conversion applications including optoelectronics and photoelectrochemical devices. One of the long-standing challenges with this material, and III–V semiconductors more generally, is to understand and control surface oxide formation, which critically impacts device functionality, performance, and durability. In this work, we integrate advanced in situ ambient pressure X-ray photoelectron spectroscopy (APXPS) and ab initio simulations to reveal the mechanism of the oxidation process on the InP(001) surface. By interpreting the APXPS results through direct ab initio spectroscopic calculations of surface models, and by comparing calculated and measured work functions, we provide an unbiased picture of the chemical evolution of the thermal oxide. Furthermore, at low temperatures (<573 K), O 2 exposure leads to predominant formation of cross-linked PO x units dispersed with submonolayer thickness, which grow into an amorphous two-dimensional (2D) film that is kinetically limited to the surface layer. Increased temperature (>573 K) leads to the polymerization of PO x units and the formation of a complex, inhomogeneous 3D network of surface oxide that is progressively indium rich and phosphorus poor toward the surface. Finally, accelerated phosphorus loss via a hitherto unreported coupled charge-transfer isomer transformation mechanism leads to the formation of a thick, amorphous In 2 O 3 -like oxide at 773 K with very different optoelectronic and hot carrier transportation properties. In addition to unraveling complex mechanisms of surface oxidation, our results suggest the possibility of deliberately tuning oxide composition by leveraging competition between thermodynamic and kinetic factors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Direct 3D Printing of Catalytically Active Structures

3D printing of materials with active functional groups can provide custom-designed structures that promote chemical conversions. Catalytically active architectures were produced by photopolymerizing bifunctional molecules using a commercial stereolithographic 3D printer. Functionalities in the monomers included a polymerizable vinyl group to assemble the 3D structures and a secondary group to provide them with active sites. The 3D-printed architectures containing accessible carboxylic acid, amine, and copper carboxylate functionalities were catalytically active for the Mannich, aldol, and Huisgen cycloaddition reactions, respectively. The functional groups in the 3D-printed structures were also amenable to post-printing chemical modification. And as proof of principle, chemically active cuvette adaptors were 3D printed and used to measure in situ the kinetics of a heterogeneously catalyzed Mannich reaction in a conventional solution spectrophotometer. In addition, 3D-printed millifluidic devices with catalytically active copper carboxylate complexes were used to promote azide-alkyne cycloaddition under flow conditions. The importance of controlling the 3D architecture of the millifluidic devices was evidenced by enhancing reaction conversion upon increasing the complexity of the 3D prints.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Quantum dynamics of nuclear spins and spin relaxation in organic semiconductors

3D printing of materials with active functional groups can provide custom-designed structures that promote chemical conversions. Herein, catalytically active architectures were produced by photopolymerizing bifunctional molecules using a commercial stereolithographic 3D printer. Functionalities in the monomers included a polymerizable vinyl group to assemble the 3D structures and a secondary group to provide them with active sites. The 3D-printed architectures containing accessible carboxylic acid, amine, and copper carboxylate functionalities were catalytically active for the Mannich, aldol, and Huisgen cycloaddition reactions, respectively. The functional groups in the 3D-printed structures were also amenable to post-printing chemical modification. As proof of principle, chemically active cuvette adaptors were 3D printed and used to measure in situ the kinetics of a heterogeneously catalyzed Mannich reaction in a conventional solution spectrophotometer. In addition, 3D-printed millifluidic devices with catalytically active copper carboxylate complexes were used to promote azide-alkyne cycloaddition under flow conditions. The importance of controlling the 3D architecture of the millifluidic devices was evidenced by enhancing reaction conversion upon increasing the complexity of the 3D prints.

3D printing↗
DOE OSTI2021

Robust hierarchical dispatch for residential distribution network management considering home thermal flexibility and model predictive control

In the transactive energy (TE) paradigm, the devices of participative consumers, or prosumers, may be aggregated and employed to drive operational objectives at the network level. Home heating, ventilation and air-conditioning (HVAC) systems in particular are well-suited to modulate their behaviours based on both home thermal flexibility and requests from the utility grid. This paper develops a robust, hierarchical power dispatch scheme in the context of a residential distribution network. The formulation couples a unique, multiphase linear distribution optimal power flow (OPF) at the upper level with model predictive control (MPC)-based HVAC fleet controllers at the lower level. The proposed approach is tested on nearly 2000 homes with a three-phase distribution network in an intraday market setting, where two major applications are explored and analysed.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2018

Spatially controlled doping of two-dimensional SnS 2 through intercalation for electronics

Doped semiconductors are the most important building elements for modern electronic devices. In silicon-based integrated circuits, facile and controllable fabrication and integration of these materials can be realized without introducing a high-resistance interface. Besides, the emergence of two-dimensional (2D) materials enables the realization of atomically thin integrated circuits. However, the 2D nature of these materials precludes the use of traditional ion implantation techniques for carrier doping and further hinders device development10. Here, we demonstrate a solvent-based intercalation method to achieve p-type, n-type and degenerately doped semiconductors in the same parent material at the atomically thin limit. In contrast to naturally grown n-type S-vacancy SnS 2 , Cu intercalated bilayer SnS 2 obtained by this technique displays a hole field-effect mobility of ~40 cm 2 V -1 s -1 , and the obtained Co-SnS 2 exhibits a metal-like behaviour with sheet resistance comparable to that of few-layer graphene. Combining this intercalation technique with lithography, an atomically seamless p–n–metal junction could be further realized with precise size and spatial control, which makes in-plane heterostructures practically applicable for integrated devices and other 2D materials. Therefore, the presented intercalation method can open a new avenue connecting the previously disparate worlds of integrated circuits and atomically thin materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Radial Compressors with Advanced Secondary Flow Paths for Extended Operating Range

Adequate range is a critical criterion in determining the proper compressor for a given application. In industries centering on turbochargers, range is often the dominant concern. Many times, significant sacrifices in performance are made at the design point in order to obtain enough range of the machine for the duty required. Active controls, the most common being inlet guide vanes (IGVs), can provide sufficient range extension while generating minimal degradation of performance at the design point. Such devices, however, add significant cost and complexity to the machine as they require an active control mechanism. Other devices, such as recirculating casing treatment (RCT), have the advantage of both cost and simplicity by virtue of their passive nature. They’ve seen widespread adoption in the turbocharger industry, though they are generally less effective than IGVs in extending range. A novel approach to extend compressor range through a passive method is proposed here. The method takes some inspiration from classical RCT applications in that it prompts recirculation at low flow rates and corresponding higher back pressures. This recirculation then occupies a portion of the primary cross-sectional passage area and confines the rest of the non-recirculating flow to a smaller area. This restriction forces a higher meridional velocity and a more favorable incidence angle at the impeller blade leading edge. The recirculation is accomplished by laying out an expanded secondary flow path at the rear of the impeller leading back to the inlet hub region. Vanes on the rear of the impeller disk provide just enough pressure rise to counter the induced pressure from the primary flow at the design point. This yields very low mass flow in the secondary path, a condition known as “shutoff” in the pump industry. At lower primary flow levels, and higher back pressures, the secondary flow is induced back to the impeller inlet setting up the recirculation region and pinching the primary flow. Various vane configurations and layouts in the secondary region are explained, and advantages and disadvantages of each are covered. The range extensions made possible by this method and the corresponding impact on performance is discussed.

compressors, extended operating range↗
DOE OSTI2016

SU-F-T-505: A Novel Approach for Sparing Critical Organs at Risk for Cancer Patients Undergoing Radiation Oncology Treatments

Purpose: A major goal of an effective radiation treatment plan is to deliver the maximum dose to the tumor while minimizing radiation exposure to the surrounding normal structures. For example, due to the radiation exposure to neighboring critical structures during prostate cancer treatment, a significant increase in cancer risk was observed for the bladder (77%) and the rectum (105%) over the following decade. Consequently, an effective treatment plan necessitates limiting the exposure to such organs which can best be achieved by physically displacing the organ at-risk. The goal of this study is to present a prototype for an organ re-positioner device designed and fabricated to physically move the rectum away from the path of radiation beam during external beam and brachytherapy treatments. This device affords patient comfort and provides a fully controlled motion to safely relocate the rectum during treatment. Methods: The NiTi shape memory alloy was designed and optimized for manufacturing a rectal re-positioner device through cooling and heating the core alloy for its shaping. This has been achieved through a prototyped custom designed electronic circuit in order to induce the reversible austenitic transformation and was tested rigorously to ensure the integrity of the actuated motion in displacement of the target anatomy. Results: The desirable NiTi shape-setting was configured for easy insertion and based on anatomical constraint. When the final prototype was evaluated, accuracy and precision of the maximum displacement and temperature changes revealed that the device could safely be used within the target anatomy. Conclusion: The organ re-positioner device is a promising tool that can be implemented in clinical setting. It provides a controlled and safe displacement of the delicate organ(s) at risk. The location of the organ being treated could also be identified using conventional onboard imaging devices or MV imaging available on-board most modern clinical accelerators.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Atom–by–Atom Fabrication of Single and Few Dopant Quantum Devices

Atomically precise fabrication has an important role to play in developing atom-based electronic devices for use in quantum information processing, quantum materials research, and quantum sensing. Atom-by-atom fabrication has the potential to enable precise control over tunnel coupling, exchange coupling, on-site charging energies, and other key properties of basic devices needed for solid-state quantum computing and analog quantum simulation. Using hydrogen-based scanning probe lithography, individual dopant atoms are deterministically placed relative to atomically aligned contacts and gates to build single electron transistors, single atom transistors, and gate-controlled quantum sensing devices. Here, the key steps required to fabricate and demonstrate the essential building blocks needed for spin selective initialization/readout and coherent quantum manipulation are described.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Improving wafer-scale Josephson junction resistance variation in superconducting quantum coherent circuits

Quantum bits, or qubits, are an example of coherent circuits envisioned for next-generation computers and detectors. A robust superconducting qubit with a coherent lifetime of O (100 µs) is the transmon: a Josephson junction functioning as a non-linear inductor shunted with a capacitor to form an anharmonic oscillator. In a complex device with many such transmons, precise control over each qubit frequency is often required, and thus variations of the junction area and tunnel barrier thickness must be sufficiently minimized to achieve optimal performance while avoiding spectral overlap between neighboring circuits. Simply transplanting our recipe optimized for single, stand-alone devices to wafer-scale (producing 64, 1x1 cm dies from a 150 mm wafer) initially resulted in global drifts in room-temperature tunneling resistance of ± 30%. Inferring a critical current variation from this resistance distribution, we present an optimized process developed from a systematic 38 wafer study that results in < 3.5% relative standard deviation (RSD) in critical current ( ) for 3000 Josephson junctions (both single-junctions and asymmetric SQUIDs) across an area of 49 cm 2 . Looking within a 1x1 cm moving window across the substrate gives an estimate of the variation characteristic of a given qubit chip. Our best process, utilizing ultrasonically assisted development, uniform ashing, and dynamic oxidation has shown = 1.8% within 1x1 cm, on average, with a few 1x1 cm areas having < 1.0% (equivalent to < 0.5%). Such stability would drastically improve the yield of multi-junction chips with strict critical current requirements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Mechanochemistry of Phosphorus and Arsenic Alloys for Visible and Infrared Photonics

Incorporating few‐layer 2D phosphorus–arsenic alloys (PAs) into optoelectronic devices requires a synthesis technique that allows control of the alloy composition while producing volumes of material suitable for application development such as photodetectors, solar cells, and lasers. With that goal in mind, high‐energy ball milling allows production of both orthorhombic (o‐PAs) and trigonal (t‐PAs) alloys by reacting red phosphorus and metallic arsenic powders. The synthesis follows a two‐step process in which arsenic rapidly reacts with red phosphorus to first produce t‐PAs followed by a slower phase transformation into o‐PAs; synthesis time and overall conversion rate are slightly enhanced by the presence of arsenic. Optical measurements on exfoliated alloys at the few‐layer atomic limit of the 2D PAs reveal emission spanning from the visible (≈1.9 eV) into the near‐infrared region, covering a broad application space. Rapid powder synthesis within a closed system for stochiometric control of the solid‐solution PAs alloys combined with solution‐based exfoliation opens up opportunities for a whole new class of optoelectronic devices based on PA nanomaterials.

Pedersen, Samuel V.↗
DOE OSTI2025

High-frequency electrical behavior in V 3 O 5 thin films

Vanadium oxides are known for their metal–insulator transition (MIT), with V 3 O 5 being notable for its transition temperature exceeding room temperature. At about 430 K, this material shows a change in crystal symmetry accompanied with one order of magnitude increase in its electrical conductivity and alterations in its optical properties. Although the property changes during the MIT in V 3 O 5 are less pronounced than those observed in VO 2 , its transition temperature is 90 K higher, making it appealing for applications requiring elevated temperatures. In this article, the high-frequency characteristics were determined in a V 3 O 5 two-terminal device in the range from 5 to 35 GHz. The S-parameters showed that the return loss at room temperature was close to −1.5 dB, and the isolation between ports was approximately −50 dB. At temperatures above the metal–insulator transition, the isolation decreased to around −40 dB at 35 GHz. For S11 and S22, similar behavior was observed at room temperature, with a notable change in the S-parameter phase of the device. This behavior suggests that V 3 O 5 may function well as a capacitor because the considerable change in phase could control the flow of electrical signals in devices. This property also may be used for matching purposes, especially considering its response to temperature changes. Additionally, conductivity calculation from S-parameters shows a decrease of approximately two orders of magnitude at 500 K and one order of magnitude at 300 K compared to DC values. These findings highlight V 3 O 5 potential for integration into radio frequency devices that demand consistent performance in high-temperature environments.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Large-Scale Hydrogen Storage Cyber Risk Assessment

Hydrogen storage systems may become more widely deployed throughout the country, and so it is possible that individual and interconnected systems will be exposed to cyber-attacks. These events can cause physical and financial harm to employees, people in the vicinity of the facility, and the company that owns the facility. The two main ways bad actors may access information or control from a hydrogen storage facility are through information technology and operations technology devices, the former of which refers to data and information from networked devices and the latter of which refers to onsite controls for the physical system. Both types of entryways into the system should be considered when companies conduct cyber risk assessments and when regulators develop or revise relevant codes and standards. This report analyzes cybersecurity risks associated with a generic hydrogen storage system by outlining the system's purpose and the importance of its cybersecurity. The hydrogen storage system architecture and communication protocols are provided to understand potential cyber vulnerabilities. Later, an event tree analysis is performed on hydrogen operation to identify system weaknesses by outlining potential attack scenarios. This report also identifies critical cyber assets related to different hydrogen operations followed by an examination of potential threats, and the impact of cyber assets on those operational assets.

08 HYDROGEN↗
DOE OSTI2024

Large-Scale Hydrogen Storage Cyber Risk Assessment

Hydrogen storage systems are becoming more widely deployed throughout the country, and as their presence continues to grow, it is possible that individual and interconnected systems will be exposed to cyber-attacks. These events can cause physical and financial harm to employees, people in the vicinity, and to the company that owns the facility. The two main mechanisms malicious actors may access information or control from a hydrogen storage facility are through information technology and operations technology devices, the former of which refers to data and information from networked devices and the latter of which refers to onsite controls for the physical system. Both types of entryways into the system should be considered when facility managers conduct cyber risk assessments and when regulators develop or revise relevant codes and standards. This report analyzes cybersecurity risks applicable to a wide variety of hydrogen storage systems by outlining the system's purpose and the importance of its cybersecurity. The hydrogen storage system architecture and communication protocols are provided to understand potential cyber vulnerabilities. Later, an event tree analysis is performed on hydrogen operation to identify system weaknesses by outlining potential attack scenarios. This report also identifies critical cyber assets related to different hydrogen operations followed by an examination of potential threats, and the impact of cyber assets on those operational assets.

08 HYDROGEN↗
DOE OSTI2020

Overview of lithium injection and flowing liquid lithium results from the US–China collaboration on EAST

A multi-institutional team consisting of national labs and universities has been conducting research to understand and control the plasma-material interface (PMI) to improve long pulse discharge control and performance in the EAST device in Hefei, China. One particular focus of the group has been to evaluate the performance of different plasma-facing component (PFC) technologies and materials, particularly lithium. Flowing liquid lithium PFC technologies are currently into their third generation of development and deployment in EAST, demonstrating recycling control and mitigation of edge-localized modes (ELMs). A lithium powder dropper has also been used to control ELMs while a lithium granule injector has demonstrated ELM triggering and pacing. To support this work, the facilities at the Center for Plasma Material Interactions such as HIDRA are being commissioned and utilized to develop/test the technologies before deployment on EAST. This paper will present a summary of the collaborative lithium PMI program on EAST.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Uniformity of GaAs solar cells grown in a kinetically-limited regime by dynamic hydride vapor phase epitaxy

We demonstrate solar cell devices grown on 50 mm diameter GaAs substrates by dynamic hydride vapor phase epitaxy (D-HVPE). In contrast to our prior D-HVPE devices, grown at 650 °C in a transport-limited regime, these devices were grown at 700 °C in a kinetically-limited growth regime in which the growth rate uniformity is controlled by thermally-activated surface reactions. These devices exhibit open-circuit voltages up to 1.07 V, nearly identical performance to the devices grown at lower temperature in a different growth regime. We evaluate the uniformity of device performance and find only a 1% variation in absolute, device efficiency across the majority of the wafer in devices without anti-reflection coating. We analyze the GaAs and GaInP thickness uniformity and GaInP compositional uniformity, using high-tresolution x-ray diffraction mapping, and find that any non-uniformity in device efficiency is not related to variations in these structural parameters. We combine three-dimensional computational fluid dynamics modeling of our reactor with a kinetic model for GaAs growth, and use the combined model to predict spatial GaAs growth rate over a 50 mm wafer area. We compare these predictions with experimental data from our D-HVPE reactor and find excellent agreement. We use the model to the gain insight into the specific mechanisms that control GaAs spatial uniformity in the kinetically-limitedgrowth regime. Furthermore, these results suggest a large parameter window for the growth of high-performance optoelectronic devices by D-HVPE, possibly with large area uniformity.

14 SOLAR ENERGY↗
DOE OSTI2019

Incentive-Based Control and Coordination of Distributed Energy Resources. Final Report

The rapid growth of low-inertia renewable energy resources represents an immense opportunity for the U.S. to minimize its carbon footprint, while presenting a challenge for system operators as traditional “spinning” generation resources are displaced. This transformation requires solutions to robustly and cost-effectively manage dynamic changes on the grid while ensuring quality of service. There is growing recognition that distributed energy resources (DERs – loads, distributed generation, storage, electric vehicles, etc.) represent a great potential to perform this function. This report details a scalable hierarchical control strategy for coordinating thousands of heterogeneous DERs in order to provide three ancillary gird services: 1) frequency response, a rapid (within 2 seconds) service used to maintain the grid at 60 Hz; 2) regulation response, a larger response used to balance on-going differences in supply and demand on the grid; and, 3) ramping reserve, used to bring on capacity to replace lost generation. The developed control architecture consists of 1) a Distribution Reliability Coordinator (DRC), 2) aggregator controllers, and finally, 3) DER controllers. The DRC coordinates all the flexible loads and distributed energy resources on the distribution system and bids the aggregate flexibility into the wholesale market. The DRC also performs resource allocation (deciding how the flexible devices on the distribution system will be dispatched) to meet the requirements for each of the three ancillary services. The aggregators control a collection of devices that are geographically co-located and provide a platform to aggregate their flexibility and mitigate uncertainty associated with a single flexible load by managing a large aggregation of similar loads (so that any stochastic effects average out). Finally, DER controllers (for example, thermostats for air conditioners, chargers for electric vehicles) adjust the power consumption of individual devices to ensure accurate and reliable delivery of the requested grid services. Evaluation and validation of this approach was conducted with a mixture of simulation and hardware testing for a range of DERs in residential (air conditioners and water heaters), commercial HVAC (ventilation fans and central chiller plants), and micro-grids (battery energy storage, solar PV etc.). This culminated in DER hardware and simulation models operating in conjunction with grid simulations as part of a large scale federated test-bed demonstration. Simulations of over 10,000 controllable residential devices (a combination of air conditioners, water heaters, batteries, and electric vehicles) demonstrated that this advanced control approach could simultaneously meet all three grid services. Furthermore, hardware-in-the-loop testing was performed with operational micro-grid and commercial building HVAC equipment. The micro-grid equipment (representing PV, battery storage, and back-up generators) demonstrated the ability to meet all frequency response requirements (except ramping time). The commercial building HVAC ventilation equipment successfully provided the regulating response service. An Industry Advisory Board (IAB) was formed and engaged throughout the project to get feed-back on project risks and potential commercialization barriers. Their input was invaluable in identify key risks stemming from regulatory and market access challenges, financial risks from under-performance, and competitive threats from utility-scale solutions such as integrated storage. A phased commercialization plan was developed that addresses continued risk reduction (value proposition refinement and performance uncertainty assessments), piloting through field demonstrations with key stakeholders, and finally, deployment as an emerging standard for DER control.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2016

Development and Application of Predictive Tools for MHD Stability Limits in Tokamaks

This is a project to develop and apply analytic and computational tools to answer physics questions relevant to the onset of non-ideal magnetohydrodynamic (MHD) instabilities in toroidal magnetic confinement plasmas. The focused goal of the research is to develop predictive tools for these instabilities, including an inner layer solution algorithm, a resistive wall with control coils, and energetic particle effects. The production phase compares studies of instabilities in such systems using analytic techniques, PEST- III and NIMROD. Two important physics puzzles are targeted as guiding thrusts for the analyses. The first is to form an accurate description of the physics determining whether the resistive wall mode or a tearing mode will appear first as β is increased at low rotation and low error fields in DIII-D. The second is to understand the physical mechanism behind recent NIMROD results indicating strong damping and stabilization from energetic particle effects on linear resistive modes. The work seeks to develop a highly relevant predictive tool for ITER, advance the theoretical description of this physics in general, and analyze these instabilities in experiments such as ASDEX Upgrade, DIII-D, JET, JT-60U and NTSX. The awardee on this grant is the University of Tulsa. The research efforts are supervised principally by Dr. Brennan. Support is included for two graduate students, and a strong collaboration with Dr. John M. Finn of LANL. The work includes several ongoing collaborations with General Atomics, PPPL, and the NIMROD team, among others.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗