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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
NASA NTRS2012

Extreme Spacecraft Charging in Polar Low Earth Orbit

Spacecraft in low altitude, high inclination (including sun -synchronous) orbits are widely used for remote sensing of the Earth fs land surface and oceans, monitoring weather and climate, communications, scientific studies of the upper atmosphere and ionosphere, and a variety of other scientific, commercial, and military applications. These systems episodically charge to frame potentials in the kilovolt range when exposed to space weather environments characterized by a high flux of energetic (approx.10 fs kilovolt) electrons in regions of low background plasma density. Auroral charging conditions are similar in some ways to the space weather conditions in geostationary orbit responsible for spacecraft charging to kilovolt levels. We first review the physics of space environment interactions with spacecraft materials that control auroral charging rates and the anticipated maximum potentials that should be observed on spacecraft surfaces during disturbed space weather conditions. We then describe how the theoretical values compare to the observational history of extreme charging in auroral environments. Finally, a set of extreme DMSP charging events are described varying in maximum negative frame potential from approx.0.6 kV to approx.2 kV, focusing on the characteristics of the charging events that are of importance both to the space system designer and to spacecraft operators. The goal of the presentation is to bridge the gap between scientific studies of auroral charging and the need for engineering teams to understand how space weather impacts both spacecraft design and operations for vehicles on orbital trajectories that traverse auroral charging environments.

Colson, Andrew D.↗
NASA NTRS2018

Performance, Stability and Compatibility of Oxygen/RP-1 Multi-Element Oxidizer-Rich Staged-Combustion Injectors

In 2015 and 2016, the National Aeronautics and Space Administration Marshall Space Flight Center designed, fabricated, assembled and hot-fire tested an oxygen/RP-1 propellant multi-element oxidizer-rich staged-combustion test article. The main objective was to provide thrust chamber combustion stability data as part of the Combustion Stability Tool Development program, although demonstration of performance and compatibility of oxidizer-rich main injectors was also important. Funding was provided by the Air Force Space and Missile Systems Center. Five configurations of main injectors were designed and fabricated, using conventional gas-centered swirl coaxial injector element designs generally similar to those used in oxygen/kerosene oxidizer-rich staged combustion engines such as the Russian RD-180 or NK-33 engines. Variations of element features included element size, recess depth, fuel gap width, and the presence of the sleeve separating the swirling fuel flow from the axial oxidizer flow. Ablative combustion chambers were fabricated based on hardware previously used at the NASA MSFC for testing at similar size and pressure. Existing oxygen/RP-1 oxidizer-rich subscale preburner injectors and hot gas ducts from a previous NASA-funded program were modified for use to supply the oxidizer-rich combustion products to the oxidizer circuit of the main injector of the thrust chamber. Testing of the resulting integrated test article - which included the preburner, inter-connecting hot gas duct, main injector, and ablative combustion chamber - was conducted at Test Stand 116 at the East Test Area of the NASA MSFC. The test article was well instrumented with static and dynamic pressure, temperature, and vibration sensors. This paper presents and discusses all the hot-fire test results of the integrated test article thrust chamber. Eighteen successful hot-fire tests of the integrated rig were conducted. Testing was accomplished with all five of the injector element concepts. Main combustion chamber pressures ranged from 710 to 2350 psia, and main combustion chamber mixture ratios ranged from 2.47 to 2.87. A chamber barrier fuel film coolant of about 2% to 4% of the total fuel flow was used for most tests. Characteristic exhaust velocity efficiency excluding the influence of the fuel film cooling ranged from 91% to 98% of theoretical. All tests of the thrust chamber exhibited stable combustion, even down to 40% of nominal operating pressures. Compatibility of the injector face and combustion chamber walls was acceptable. This paper is a follow-on to publication of preliminary test data presented at the 2016 JANNAF Liquid Propulsion Subcommittee meeting.

Hulka, J. R.↗
DOE OSTI2023

Anti-site defect-induced disorder in compensated topological magnet MnBi2-xSbxTe4

Abstract The gapped Dirac-like surface states of compensated magnetic topological insulator MnBi 2-x Sb x Te 4 (MBST) are a promising host for exotic quantum phenomena such as the quantum anomalous Hall effect and axion insulating state. However, it has become clear that atomic defects undermine the stabilization of such quantum phases as they lead to spatial variations in the surface state gap and doping levels. The large number of possible defect configurations in MBST make studying the influence of individual defects virtually impossible. Here, we present a statistical analysis of the nanoscale effect of defects in MBST with x =0.64, by scanning tunnelling microscopy/spectroscopy. We identify (Bi,Sb) Mn anti-site defects to be the main source of the observed doping fluctuations, leading towards the formation of nanoscale charge puddles and effectively closing the transport gap. Our findings will guide further optimization of this material system via defect engineering, to enable exploitation of its promising properties.

36 MATERIALS SCIENCE↗
NASA NTRS2013

Propellant-Flow-Actuated Rocket Engine Igniter

A rocket engine igniter has been created that uses a pneumatically driven hammer that, by specialized geometry, is induced into an oscillatory state that can be used to either repeatedly impact a piezoelectric crystal with sufficient force to generate a spark capable of initiating combustion, or can be used with any other system capable of generating a spark from direct oscillatory motion. This innovation uses the energy of flowing gaseous propellant, which by means of pressure differentials and kinetic motion, causes a hammer object to oscillate. The concept works by mass flows being induced through orifices on both sides of a cylindrical tube with one or more vent paths. As the mass flow enters the chamber, the pressure differential is caused because the hammer object is supplied with flow on one side and the other side is opened with access to the vent path. The object then crosses the vent opening and begins to slow because the pressure differential across the ball reverses due to the geometry in the tube. Eventually, the object stops because of the increasing pressure differential on the object until all of the kinetic energy has been transferred to the gas via compression. This is the point where the object reverses direction because of the pressure differential. This behavior excites a piezoelectric crystal via direct impact from the hammer object. The hammer strikes a piezoelectric crystal, then reverses direction, and the resultant high voltage created from the crystal is transferred via an electrode to a spark gap in the ignition zone, thereby providing a spark to ignite the engine. Magnets, or other retention methods, might be employed to favorably position the hammer object prior to start, but are not necessary to maintain the oscillatory behavior. Various manifestations of the igniter have been developed and tested to improve device efficiency, and some improved designs are capable of operation at gas flow rates of a fraction of a gram per second (0.001 lb/s) and pressure drops on the order of 30 to 50 kilopascal (a few psi). An analytical model has been created and tested in conjunction with a precisely calibrated reference model. The analytical model accurately captures the overall behavior of this innovation. The model is a simple "volume-orifice" concept, with each chamber considered a single temperature and pressure "node" connected to adjacent nodes, or to vent paths through flow control orifices. Mass and energy balances are applied to each node, with gas flow predicted using simple compressible flow equations.

Wollen, Mark↗
DOE OSTI2018

Phenomena, gaps, and issues for neutronics modeling and simulation of FHRs

On the path to deployment of any reactor, modeling tool verification and validation is a key step. Fluoride-Salt-Cooled High Temperature Reactors (FHR) pose challenges to neutronics modeling and simulation tools due to several design features of the reactor type. This paper presents a categorized list of phenomena that pose challenges to FHR modeling using current neutronics tools. These phenomena are presented in four categories: Fundamental Cross Section Data, Material Composition, Computational Methodology, and General Depletion. Here, a short path forward for these phenomena is also presented. In addition, a discussion of the resulting gaps in current codes is presented.

42 ENGINEERING↗
DOE OSTI2022

Liquid Salt Combined-Cycle Pilot Plant Design

The work described in this report is responsive to the Office of Fossil Energy program ‘Energy Storage for Fossil Power Generation.’ This Phase I report has been prepared by Pintail Power LLC, with support from Nexant ECA, Electric Power Research Institute (EPRI) and Southern Company Services as a deliverable for the U.S. Department of Energy for NETL Award DE-FE-00320016. The Liquid Salt Combined Cycle™ (LSCC™) technology provides large-scale energy storage integrated with Fossil Electric Generating Units (FEGUs) to meet critical needs in the energy transition by providing: • the lowest cost large-scale storage for time-shifting of renewable energy, • superior fuel efficiency to reduce GHGs from dispatchable resources, • flexible capacity and ramping to balance variability of wind and solar resources, • essential grid stability services to assure reliability of a low-carbon grid. The LSCC approach: • employs equipment that has already been proven in utility service, • uses safe, non-toxic, non-degrading, perpetual-life storage medium, • leverages and repurposes existing FEGU assets, • expands the value stack of energy storage to reduce market, financing, and commodity risks. Pintail Power has developed the LSCC technology to meet the need for reliable, efficient, and cost-effective integration of Variable Renewable Energy (VRE) into a low-carbon electric grid by coupling proven thermal energy storage with proven gas turbines, steam turbines, and heat transfer equipment. This novel approach is intended to address the key issues facing the grid and operators of renewable and fossil generating units including: • Overgeneration and curtailment of renewables, • Need for fast ramping dispatchable resources, • Improved efficiency and flexibility of fossil units, • Additional peaking capacity to support electrification of transportation and heating, • Provision of reliability services to support high penetration of VRE, especially synchronous inertia and fast frequency response. A Technology Readiness assessment by EPRI confirmed that LSCC technology consists of commercially proven hardware used in industrial and utility applications. Although the novel LSCC approach has not yet been demonstrated as a complete system, interfaces between major components have been conservatively specified. A Phase III pilot is planned to demonstrate equipment integration and operation. The patented innovation is removal of the evaporator section from the exhaust heat recovery system, with the evaporation performed by stored energy in a separate steam generator. This arrangement couples renewable and fossil power generation via long-duration energy storage to deliver cost, performance, and operational synergies, including superior charging and discharging flexibility, reduced fuel consumption and lower CO 2 emissions compared to conventional Combined Cycle Power Plants, and low-cost, large-scale energy storage. The LSCC technology is composed of proven equipment integrated with gas turbine exhaust heat in a novel system. During charging, electric heaters raise the salt temperature as it flows from the Cold Salt Tank to the Hot Salt Tank. During discharging, hot salt produces steam from feedwater that is heated with gas turbine exhaust, which also superheats steam to drive a steam turbine. LSCC technology can be added to any combustion-turbine to integrate renewable energy, provide needed grid services, and increase the value of fossil electric generating units based on the technology’s following attributes: • Long-duration storage enables time-shifting of VRE to avoid curtailment and impairment of renewable assets. • Long storage duration combined with fast-charging capability increases arbitrage opportunities by storing more energy when the price is low and discharging more hours when the price is high. • Long storage duration allows resource adequacy to be supplied across multiple days to increase reliability and reduce risk. • The stored energy reduces fuel heat rate and GHG emissions, and increases merit, so the LSCC dispatches earlier and longer to increase the plant’s capacity factor and asset value. • The stored energy enables pre-heating and startup of the steam cycle, without operating the gas turbine, to enable fast startup and ramping when dispatched for discharge. • The steam turbine can operate without the gas turbine so it can provide valuable synchronous inertia during charging without consuming fuel. • Fast frequency response and regulation services can be provided during charging using solid-state heater and pump controls to vary the charge power input in response to grid signals. • The LSCC system can be configured for resilience including black start, islanded/micro-grid operation, and even self-recharging of storage using either gas turbine power or gas turbine exhaust heat. The commercialization plan is to add LSCC technology to existing simple cycle gas turbine power plants with the 50MW GE LM6000 aero-derivative gas turbine as the reference design basis. A Techno-economic assessment of the reference design evaluated the benefits (Levelized Avoided Cost of Energy) and costs (Levelized Cost of Energy). The plant definition included all major systems and budgetary vendor quotes. Pintail Power and NexantECA developed the overall cost estimate for the LSCC plant up to the total plant cost level, following the DOE-NETL cost estimate guidelines at AACE Class 3 (-20%/+30%). This includes the equipment cost, bulk material, direct and indirect labor costs to arrive at the bare erected cost. Engineering costs are factored from the BEC and added to it to arrive at the EPC cost. Process and project contingencies were then factored from the EPC cost and rolled-up to yield the total plant cost of $\$$184 million for 1746 MWh of discharge electricity. • At $\$$105/kWh, the reference plant costs less than any of the Energy Storage Systems evaluated by PNNL in 2020 for the Energy Storage Grand Challenge. Operations and Maintenance cost estimates were scaled from combined cycle practice, assuming that the LSCC unit was co-located with and sharing some labor expense with other units, to arrive at $\$$2.2 million per year. Plant economics were evaluated using prices from the ERCOT Day-Ahead Market for calendar year 2019 (excluding the market disruptions from the COVID pandemic and the February 2020 deep freeze event). Assuming economic dispatch in the ERCOT Day-Ahead market, the reference plant capacity factor would have discharged for 2777 hours at 91.9 MW, a 31.66% capacity factor, with a marginal cost of $\$$25.59/MWh, and a LACE of $\$$82.41/MWh. Fixed charges were calculated according to EIA guidelines to arrive at an LCOE of $\$$83.48. The benefit-to-cost ratio of 0.99 suggests that the reference plant would have been cost-effective and competitive in the market. EPRI interviewed selected utilities to gauge the need for, applicability of and interest in the LSCC system. Several utilities are currently managing increased load growth along with the inclusion of increasing levels of renewable generation, putting pressure on conventional generation by requiring increased turndown requirements and ultimately lower capacity factors. All of the utilities interviewed have CO 2 reduction targets in the 2030-2050 timeframe that will severely limit the participation of fossil generation and require better utilization of carbon free generation. While there is limited opportunity for storage in the current markets, the utilities interviewed stated that there will be a substantial need for long duration energy storage in the future given the expected trends. Utilizing an energy storage system will generally be preferred over new gas capacity in some cases, with the capabilities of the LSCC system being a potential option for retrofit to existing simple cycle gas turbine units, allowing them to deliver greater participation in the market with lower carbon intensity. A technology gap assessment and technology maturation plan identified a pilot-scale demonstration as the final step before commercialization. Key gaps to be addressed during the Phase II FEED (Front-End Engineering Design) are component selection and design, commissioning procedures, and operational procedures and the control system for LSCC charging and discharging. The project team has been expanded to include Wood Group PLC as EPC. The proposed Phase II work leads to a pilot-scale engineering demonstration (TRL 6) to be conducted at Southern Company’s Plant Rowan, where the prototype system will perform “all the functions that will be required of the operational system.” The proposed pilot will facilitate commercialization (TRL-9) by scale-up to utility-scale systems integrated with peaking GTs or directly to facility scale systems using industrial GTs. The conceptual design for the pilot plant focuses on the novel integration aspects of LSCC technology. A slipstream of gas turbine exhaust will feed a waste heat recovery unit coupled to a molten salt steam generator heated by stored energy. The pilot is intended to demonstrate all key operating modes of the LSCC technology during charging, discharging and standby. The pilot equipment will be approximately one-seventh scale of the LM6000 commercial target and is expected to have commercial off-ramp potential for facility-scale applications.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

Gap-filling eddy covariance methane fluxes: Comparison of machine learning model predictions and uncertainties at FLUXNET-CH4 wetlands

Time series of methane fluxes measured by eddy-covariance require gap-filling to estimate annual emissions. Gap-filling methane fluxes is challenging because of high variability and complex responses to multiple drivers. To date, there is no widely established gap-filling standard for methane, with regards both to the best model algorithms and predictors. In this study, we address the need for standardization by synthesizing results of gap-filling methods applied at 17 wetland sites spanning boreal to tropical regions including all major wetlands classes and two rice paddies. We introduce new procedures for: 1) creating realistic artificial gap scenarios, 2) training and evaluating gap-filling models without overstating performance, and 3) predicting half-hourly methane fluxes and annual emissions with robust uncertainty estimates. We tested a conventional method (marginal distribution sampling) and four machine learning algorithms - penalized linear regression, artificial neural networks, random forests, and boosted decision trees - and four predictor sets, including temporal, meteorological, ecosystem carbon and energy flux, and soil predictors. We find that the conventional method can achieve similar median performance to the machine learning models but is worse than the best machine learning models and relatively insensitive to predictor choices. Of the machine learning models, decision tree algorithms performed the best in cross-validation experiments, even with a baseline predictor set, and artificial neural networks showed comparable performance when using all predictors. Soil temperature was frequently the most important predictor whilst water table depth was important at sites with substantial water table fluctuations, highlighting the value of data on soil conditions. Raw gap-filling uncertainties from the machine learning models were underestimated and we propose a method to calibrate uncertainties to observations. Finally, we gap-fill and provide summary evaluation metrics for all 81 sites in the FLUXNET-CH4 community dataset and publicly release the python code for model development, evaluation, and uncertainty estimation.

42 ENGINEERING↗
DOE OSTI2017

Large Pilot-Scale Carbon Dioxide (CO2) Capture Project Using Aminosilicone Solvent.Final Scientific/Technical Report

GE Global Research has developed, over the last 8 years, a platform of cost effective CO2 capture technologies based on a non-aqueous aminosilicone solvent (GAP-1m). As demonstrated in previous funded DOE projects (DE-FE0007502 and DEFE0013755), the GAP-1m solvent has increased CO2 working capacity, lower volatility and corrosivity than the benchmark aqueous amine technology. Performance of the GAP-1m solvent was recently demonstrated in a 0.5 MWe pilot at National Carbon Capture Center, AL with real flue gas for over 500 hours of operation using a Steam Stripper Column (SSC). The pilot-scale PSTU engineering data were used to (i) update the techno-economic analysis, and EH&S assessment, (ii) perform technology gap analysis, and (iii) conduct the solvent manufacturability and scale-up study.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

Engineering magnetic topological insulators in Eu 5 M 2 X 6 Zintl compounds

Magnetic topological insulators provide a prominent material platform for quantum anomalous Hall physics and axion electrodynamics. However, the lack of material realizations with cleanly gapped surfaces hinders technological utilization of these exotic quantum phenomena. Here, using the Zintl concept and the properties of nonsymmorphic space groups, we computationally engineer magnetic topological insulators. Specifically, we explore Eu 5 M 2 X 6 (M=metal, X=pnictide) Zintl compounds and find that Eu 5 Ga 2 Sb 6 , Eu 5 Tl 2 Sb 6 , and Eu 5 In 2 Bi 6 form stable structures with nontrivial Z 2 indices. We also show that epitaxial and uniaxial strain can be used to control the Z 2 index and the bulk energy gap. Lastly, we discuss experimental progress towards the synthesis of the proposed candidates and provide insights that can be used in the search for robust magnetic topological insulators in Zintl compounds.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Two-Dimensional Hexagonal Sheet of TiO 2

We report the ab initio discovery of a novel putative ground state for quasi two-dimensional TiO 2 through a structural search using the minima hopping method with an artificial neural network potential. Here, the structure is based on a honeycomb lattice and is energetically lower than the experimentally reported lepidocrocite sheet by 7 meV/atom and merely 13 meV/atom higher in energy than the rutile bulk structure. According to our calculations, the hexagonal sheet is stable against mechanical stress, chemically inert, and can be deposited on various substrates without disrupting the structure. Its properties differ significantly from all known TiO 2 bulk phases with a large gap of 5.05 eV that can be tuned through strain and defect engineering.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Dynamically tunable moiré exciton Rydberg states in a monolayer semiconductor on twisted bilayer graphene

Moiré excitons are emergent optical excitations in two-dimensional semiconductors with moiré superlattice potentials. Although these excitations have been observed on several platforms, a system with dynamically tunable moiré potential to tailor their properties is yet to be realized. Here we present a continuously tunable moiré potential in monolayer WSe 2 , enabled by its proximity to twisted bilayer graphene (TBG) near the magic angle. By tuning local charge density via gating, TBG provides a spatially varying and dynamically tunable dielectric superlattice for modulation of monolayer WSe 2 exciton wave functions. We observed emergent moiré exciton Rydberg branches with increased energy splitting following doping of TBG due to exciton wave function hybridization between bright and dark Rydberg states. In addition, emergent Rydberg states can probe strongly correlated states in TBG at the magic angle. Finally, our study provides a new platform for engineering moiré excitons and optical accessibility to electronic states with small correlation gaps in TBG.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Exploring layer thinning of exfoliated β-tellurene and room temperature photoluminescence with large exciton binding energy revealed in β-TeO 2

Due to its tunable bandgap, anisotropic behavior, and superior thermoelectric properties, device applications using layered tellurene (Te) are becoming more attractive. Here, we report a thinning technique for exfoliated tellurene nanosheets using thermal annealing in an oxygen environment. We characterize different thinning parameters, including temperature and annealing time. Based on our measurements, we show that controlled layer thinning occurs in the narrow temperature range of 325–350 °C. We also show a reliable method to form β-tellurene oxide (β-TeO 2 ), which is an emerging wide bandgap semiconductor with promising electronic and optoelectronic properties. This wide bandgap semiconductor exhibits a broad photoluminescence (PL) spectrum with multiple peaks covering the range of 1.76–2.08 eV. This PL emission, coupled with Raman spectra, is strong evidence of the formation of 2D β-TeO 2 . We discuss the results obtained and the mechanisms of Te thinning and β-TeO 2 formation at different temperature regimes. We also discuss the optical bandgap of β-TeO 2 and show the existence of pronounced excitonic effects evident by the large exciton binding energy in this 2D β-TeO 2 system that reach 1.54–1.62 eV for bulk and monolayer, respectively. Our work can be utilized to have better control over the Te nanosheet thickness. It also sheds light on the formation of well-controlled β-TeO 2 layered semiconductors for electronic and optoelectronic applications.

42 ENGINEERING↗
DOE OSTI2025

Charge transfer in transition metal dichalcogenide alloy heterostructures

Two-dimensional (2D) transition metal dichalcogenides and their alloys provide a unique platform for exploring interlayer charge transfer in van der Waals heterostructures. These structures are crucial for advancing the next-generation electronic, optoelectronic, and quantum devices. In this study, interlayer charge transfer in heterostructures composed of MoSe 2 , MoS 2 , and their alloy, MoSSe, is investigated using transient absorption, Raman, and photoluminescence spectroscopy. The experimental results reveal that electron transfer in the alloy heterostructures, MoSSe/MoS 2 and MoSe 2 /MoSSe, is faster than in the pure MoSe 2 /MoS 2 heterostructure, despite the smaller conduction band offsets of the alloy systems. Raman spectroscopy confirms that alloy layers support phonon modes matching those of the pure layers, aligning with theoretical models of phonon-assisted interlayer charge transfer. Additionally, efficient hole transfer is observed in both alloy heterostructures. The findings suggest transition metal dichalcogenides alloys can be used for engineering heterostructures with desired charge transfer properties. By leveraging compositionally tunable band gaps and optical properties, alloy-based heterostructures offer opportunities for designing tailored materials suitable for diverse applications such as photodetectors, light-emitting devices, and flexible electronics. Furthermore, the ultrafast charge transfer observed in these systems provides insights into the fundamental mechanisms governing interlayer interactions in 2D materials.

2D material↗
DOE OSTI2019

Localization and interactions in topological and nontopological bands in two dimensions

A two-dimensional electron gas in a high magnetic field displays macroscopically degenerate Landau levels, which can be split into Hofstadter subbands by means of a weak periodic potential. By carefully engineering such a potential, one can precisely tune the number, bandwidths, band gaps, and Chern character of these subbands. This allows a detailed study of the interplay of disorder, interaction, and topology in two-dimensional systems. We first explore the physics of disorder and single-particle localization in subbands derived from the lowest Landau level, that nevertheless may have a topological nature different from that of the entire lowest Landau level. By projecting the Hamiltonian onto subbands of interest, we systematically explore the localization properties of single-particle eigenstates in the presence of quenched disorder. Here, we then introduce electron-electron interactions and investigate the fate of many-body localization in subbands of varying topological character.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Quantum Spin-Valley Hall Kink States: From Concept to Materials Design

We propose a general and tunable platform to realize high-density arrays of quantum spin-valley Hall kink (QSVHK) states with spin-valley-momentum locking based on a two-dimensional hexagonal topological insulator. Through the analysis of Berry curvature and topological charge, the QSVHK states are found to be topologically protected by the valley-inversion and time-reversal symmetries. Remarkably, the conductance of QSVHK states remains quantized against both nonmagnetic short- and long-range and magnetic long-range disorder, verified by the Green-function calculations. Based on first-principles results and our fabricated samples, we show that QSVHK states, protected with a gap up to 287 meV, can be realized in bismuthene by alloy engineering, surface functionalization, or electric field, supporting nonvolatile applications of spin-valley filters, valves, and waveguides even at room temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

A Four-Layer Cyber-Physical Security Model for Electric Machine Drives Considering Control Information Flow

Despite the IEEE Power Electronics Society (PELS) establishing Technical Committee 10 on Design Methodologies with a focus on the cyber-physical security of power electronics systems, a holistic design methodology for addressing security vulnerabilities remains underdeveloped. This gap largely stems from the limited integration of computer science and power/control engineering studies in this interdisciplinary field. Addressing the inadequacy of unilateral cyber or control perspectives, this article presents a novel four-layer cyber-physical security model specifically designed for electric machine drives. Central to this model is the innovative control information flow (CIF) model, residing within the control layer, which serves as a pivotal link between the cyber layer's vulnerable resources and the physical layer's state-space models. By mapping vulnerable resources to control variable space and tracing attack propagation, the CIF model facilitates accurate impact predictions based on tainted control laws. The effectiveness and validity of this proposed model are demonstrated through hardware experiments involving two typical cyber-attack scenarios, underscoring its potential as a comprehensive framework for multidisciplinary security strategies.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Review of recent studies on nanoscale electrical junctions and contacts: Quantum tunneling, current crowding, and interface engineering

The study of charge carrier transport at nanoscale electrical contacts is crucial for the development of next-generation electronics. In this study, we review recent modeling efforts on quantum tunneling, current crowding, and contact resistance across electrical interfaces with nanometer scale dimensions. A generalized self-consistent model for quantum tunneling induced electron transport in metal–insulator–metal (MIM) junctions is summarized. Rectification of a dissimilar MIM junction is reviewed. A modified two-dimensional (2D) transmission line model is used to investigate the effects of spatially varying specific contact resistivity along the contact length. The model is applied to various types of electrical contacts, including ohmic contacts, MIM junction based tunneling contacts, and 2D-material-based Schottky contacts. Roughness engineering is recently proposed to offer a possible paradigm for reducing the contact resistance of 2D-material-based electrical contacts. Contact interface engineering, which can mitigate current crowding near electrical contacts by spatially designing the interface layer thickness or properties, without requiring an additional material or component, is briefly reviewed. Tunneling engineering is suggested to eliminate severe current crowding in highly conductive ohmic contacts by introducing a thin tunneling layer or gap between the contact members. Furthermore, unsolved problems and challenges are also discussed.

2D materials↗
DOE OSTI2017

Compact Models for Defect Diffusivity in Semiconductor Alloys.

Predicting transient effects caused by short - pulse neutron irradiation of electronic devices is an important part of Sandia's mission. For example , predicting the diffusion of radiation - induced point defects is needed with in Sandia's Qualification Alternative to the Sandia Pulsed Reactor (QASPR) pro gram since defect diffusion mediates transient gain recovery in QASPR electronic devices. Recently, the semiconductors used to fabricate radiation - hard electronic devices have begun to shift from silicon to III - V compounds such as GaAs, InAs , GaP and InP . An advantage of this shift is that it allows engineers to optimize the radiation hardness of electronic devices by using alloy s such as InGaAs and InGaP . However, the computer codes currently being used to simulate transient radiation effects in QASP R devices will need to be modified since they presume that defect properties (charge states, energy levels, and diffusivities) in these alloys do not change with time. This is not realistic since the energy and properties of a defect depend on the types of atoms near it and , therefore, on its location in the alloy. In particular, radiation - induced defects are created at nearly random locations in an alloy and the distribution of their local environments - and thus their energies and properties - evolves with time as the defects diffuse through the alloy . To incorporate these consequential effects into computer codes used to simulate transient radiation effects, we have developed procedures to accurately compute the time dependence of defect energies and properties and then formulate them within compact models that can be employed in these computer codes. In this document, we demonstrate these procedures for the case of the highly mobile P interstitial (I P ) in an InGaP alloy. Further dissemination only as authorized to U.S. Government agencies and their contractors; other requests shall be approved by the originating facility or higher DOE programmatic authority.

36 MATERIALS SCIENCE↗