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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Electron mobility enhancement by electric field engineering of AlN/GaN/AlN quantum-well HEMTs on single-crystal AlN substrates

To enhance the electron mobility in quantum-well high-electron-mobility transistors (QW HEMTs), we investigate the transport properties in AlN/GaN/AlN heterostructures on Al-polar single-crystal AlN substrates. Theoretical modeling combined with experiment shows that interface roughness scattering due to high electric field in the quantum well limits mobility. Increasing the width of the quantum well to its relaxed form reduces the internal electric field and scattering, resulting in a binary QW HEMT with a high two-dimensional electron gas (2DEG) density of 3.68×1013 cm–2, a mobility of 823 cm2/Vs, and a record-low room temperature (RT) sheet resistance of 206 Ω/□. Further reduction of the quantum well electric field yields a 2DEG density of 2.53×1013 cm–2 and RT mobility > 1000 cm2/V s. These findings will enable future developments in high-voltage and high-power microwave applications on the ultrawide bandgap AlN substrate platform.

Physics↗
DOE OSTI2024

Artificial correlation heating in PIC simulations

The Particle-in-Cell (PIC) method, a cornerstone in plasma modeling, is widely employed for its ability to simulate kinetic phenomena in device-scale domains. Part of what makes this possible is that computational macroparticles represent many physical particles. It converges under certain constraints, including a grid spacing that resolves the Debye length and a time step small enough to respect the Courant–Friedrichs–Lewy condition and plasma frequency stability limit. Here, we introduce a new constraint necessary to avoid Artificial Correlation Heating (ACH). This requires that the macroparticle coupling strength be smaller than one, Γ ω < 1, where Γ ω ≡ Γω 2/3 ⁠, Γ = Z 2 e 2 /(4πε 0 ak B T) is the physical coupling strength, and w is the macroparticle weight. This is particularly relevant to 3D simulations of dense plasmas, which are becoming common with modern computing power. If this condition is violated, the finite macroparticle weight artificially enhances the coupling strength and causes the plasma to heat until the macroparticle coupling strength is near unity, depending on the grid resolution. A comprehensive model of ACH is developed that incorporates electron density, temperature, macroparticle weight, and grid resolution. It is then tested using PIC simulations, delineating the boundaries of the method's applicability and offering a predictive framework for ACH. Moreover, the research explores a runaway heating process induced by ACH in the presence of ionization, which can lead to numerical instability. A conclusion of this study is that the onset of ACH can impose a more stringent constraint on the macroparticle weight and average number of macroparticles per cell than what is typically expected, particularly in 3D simulations of dense plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Femtosecond-Terawatt Hard X-Ray Pulse Generation with Chirped Pulse Amplification on a Free Electron Laser

Advances of high intensity lasers have opened up the field of strong field physics and led to a broad range of technological applications. Recent x ray laser sources and optics development makes it possible to obtain extremely high intensity and brightness at x ray wavelengths. In this paper, we present a system design that implements chirped pulse amplification for hard x ray free electron lasers. Numerical modeling with realistic experimental parameters show that near-transform-limit single-femtosecond hard x ray laser pulses with peak power exceeding 1 TW and brightness exceeding 4×10 35 s -1 mm -2 mrad -2 0.1\%bandwdith -1 can be consistently generated. In conclusion, realization of such beam qualities is essential for establishing systematic and quantitative understanding of strong field x-ray physics and nonlinear x ray optics phenomena.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Design and demonstration of an economical SRF structure for Continuous Wave (CW), high-energy, Megawatt-class beams

Due to its very high RF-to-beam efficiency, superconducting radiofrequency (SRF) cavities have become the technology of choice for the construction of large linear accelerators (linacs) for basic science applications (examples, ESS and PIP-II). The technology is also attractive for high volume industrial applications such as electron irradiation processing of wastewater and flue gas. However, SRF’s current reliance on liquid helium for cryogenic cooling introduces infrastructural and safety challenges for use in industrial settings. Cryocooler conduction-cooling is a recently developed novel technique for operating SRF cavities without requiring liquid helium. This project aims for technical design and economic assessment of a medium energy, high average power e-beam linac based on the conduction-cooled SRF technique for high volume irradiation treatment of wastewater. The goals of this project are (1) to design a medium energy (10 MeV), high average power (1 MW) electron beam accelerator around the cryocooler conduction-cooled SRF cavity technology, (2) demonstrate the required accelerating voltage on a prototype cavity, and (3) build a cost-model to evaluate capital and operating expense of the accelerator.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Brushless Excitation for Wound-field Synchronous Machines using Multi-harmonic Windings

Wound-field synchronous machines (WFSM) are promising alternatives to electric machines with permanent magnets (PM). The ability to control the rotor field in these machines makes them well-suited to safety critical applications, while the absence of rare-earth permanent magnets makes these machines sustainable. The WFSM rotor excitation schemes have traditionally used carbon brushes, which significantly reduces the reliability of these machines, limiting their widespread adoption. To overcome this limitation and improve the reliability of WFSMs, several brushless rotor excitation schemes have been developed. However, most of these systems require additional windings or dedicated power electronics, making them expensive and limiting achievable power-density. In this paper a new brushless excitation scheme is proposed. In this scheme, a multiphase, multi-harmonic stator winding is designed. This winding can independently control two spatial harmonics in the airgap of the machine; the first to create torque and the second to wirelessly transfer power to the rotor to excite it.

Gadiyar, Nishanth [ORNL] (ORCID:0000000348267524)↗
DOE OSTI2020

Field Programmable Gate Arrays for Enhancing the Speed and Energy Efficiency of Quantum Dynamics Simulations

We present the first application of field programmable gate arrays (FPGAs) as new, customizable hardware architectures for carrying out fast and energy-efficient quantum dynamics simulations of large chemical/material systems. Instead of tailoring the software to fixed hardware, which is the typical case for writing quantum chemistry code for central processing units (CPUs) and graphics processing units (GPUs), FPGAs allow us to directly customize the underlying hardware (even at the level of specific electrical signals in the circuit) to give a truly optimized computational performance for quantum dynamics calculations. By offloading the most intensive and repetitive calculations onto an FPGA, we show that the computational performance of our real-time electron dynamics calculations can even exceed that of optimized commercial mathematical libraries running on high-performance GPUs. In addition to this impressive computational speedup, we show that FPGAs are immensely energy-efficient and consume 4 times less energy than modern GPU or CPU architectures. These energy savings are a practical and important metric for supercomputing centers (many of which exceed over $1 million in power costs alone), as exascale computing capabilities become more widespread and commonplace. Taken together, the implementation techniques and performance metrics of our study demonstrate that FPGAs could play a promising role in upcoming quantum chemistry and materials science applications, particularly for the acceleration and energy-efficient execution of quantum dynamics calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Nano-FET-enabled biosensors: Materials perspective and recent advances in North America

Field-effect transistor (FET) is a very promising platform for biosensor applications due to its magnificent properties, including label-free detection, high sensitivity, fast response, real-time measurement capability, low running power, and the feasibility to miniaturize to a portable device. 1D (e.g. carbon nanotubes, Si nanowires, conductive polymer nanowires, 1D metal oxides, and others) and 2D (e.g. graphene materials, transition metal dichalcogenides, black phosphorus, and 2D metal oxides) materials, with their unique structural and electronic properties that are unavailable in bulk materials, have helped improve the sensitivity of FET biosensors and enabled detection down to single molecule. In this article, we give insights into the rapidly evolving field of 1D and 2D materials-based FET biosensors, with an emphasis on structure and electronic properties, synthesis, and biofunctionalization approaches of these nanomaterials. In addition, the progress in the 1D/2D-FET biosensors in North America, in the last decade, is summarized in tables. Moreover, challenges and future perspectives of 1D/2D-FET biosensors are covered.

1D materials↗
DOE OSTI2021

Calibration-Free Quantitative Analysis of Lithium-Ion Battery (LiB) Electrode Materials Using Laser-Induced Breakdown Spectroscopy (LIBS)

Recent years have seen a surge in the demand for high-performance battery electrode materials for automotive and various electronic device applications. Improving battery performance requires precise knowledge of the structure–composition properties of active electrode materials. To this effect, quantitative and precise estimation of the composition of advanced electrode materials, containing trace amounts of dopants, provide immense value toward developing next-generation high-capacity battery materials. Herein, we demonstrate the application of calibration-free laser-induced breakdown spectroscopy (LIBS) as a powerful analytical tool for rapid and reliable quantitative spectrochemical characterizations of layered Li metal oxide cathodes containing Mo and Cr dopants (<5 atom %). Specifically, we employ the LIBS using an internal calibration methodology to establish the quantitative elemental ratios of major (Ni, Mn, Co) and trace dopant (Cr, Mo) transition metals to bulk Li contents in diverse cathode material samples such as LiNi 0.5 Mn 0.5 O 2 (NM-50/50), LiNi 0.33 Mn 0.33 Co 0.33 O 2 (NMC), LiNi 0.317 Mn 0.317 Co 0.317 Cr 0.05 O 2 (Cr-doped NMC), and LiNi 0.5– x /2 Mn 0.5– x /2 Mo x O 2 ( x = 0.03, 0.04, 0.05) (Mo-doped NM-50/50) that were synthesized via sol–gel routes. The LIBS-estimated elemental compositions are in good agreement with the nominal stoichiometric values. Furthermore, ex situ LIBS characterizations presented here pave the path for future high-efficacy application of calibration-free quantitative LIBS for rapid in situ analyses of elemental composition changes in battery electrode materials under operation that need not resort to off-site analytical techniques requiring cumbersome sample preparations and/or external standards.

25 ENERGY STORAGE↗
DOE OSTI2024

Higher-order nonequilibrium term: Effective power density quantifying evolution towards or away from local thermodynamic equilibrium

A common approach to assess the nature of energy conversion in a classical fluid or plasma is to compare power densities of the various possible energy conversion mechanisms. A leading research area is quantifying energy conversion for systems that are not in local thermodynamic equilibrium (LTE), as is common in a number of fluid and plasma systems. Here we introduce the “higher-order nonequilibrium term” (HORNET) effective power density, which quantifies the rate of change of departure of a phase space density from LTE. It has dimensions of power density, which allows for quantitative comparisons with standard power densities. We employ particle-in-cell simulations to calculate HORNET during two processes, magnetic reconnection and decaying kinetic turbulence in collisionless magnetized plasmas, that inherently produce non-LTE effects. We investigate the spatial variation of HORNET and the time evolution of its spatial average. By comparing HORNET with power densities describing changes to the internal energy (pressure dilatation, Pi − D , and divergence of the vector heat flux density), we find that HORNET can be a significant fraction of these other measures (8% and 35% for electrons and ions, respectively, for reconnection; up to 67% for both electrons and ions for turbulence), meaning evolution of the system towards or away from LTE can be dynamically important. Applications to numerous plasma phenomena are discussed. Published by the American Physical Society 2024

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Output Capacitance Loss of GaN HEMTs in Steady-State Switching

The output capacitance (C OSS ) loss, a loss produced when the device’s output capacitor is charged and discharged, has become a concern for GaN high electron mobility transistors (HEMTs) in high-frequency applications. This work presents a new, easy-to-implement method for the C OSS loss characterization based on the unclamped inductive switching (UIS) setup. As compared to prior approaches, this method involves the device’s ON-state conduction and could measure the C OSS loss in a single pulse and the steady-state switching. The C OSS loss of three types of mainstream commercial GaN HEMTs is characterized, which exhibit some common dependencies including a non-monotonic relation with the dv/dt (or resonance frequency), a linear relation with the ON-state current, a power-law relation with the peak blocking voltage, and little temperature dependence. In addition, their C OSS losses all show minimal distinctions in a single pulse and the steady-state switching, despite the increased on-resistance in the steady-state switching. Furthermore, this suggests that the traps accounting for the C OSS loss possess different de-trapping time constants as compared to the traps governing the dynamic on-resistance. Finally, a unified model is established to describe the C OSS loss of all three types of GaN HEMTs. These results provide important references for the high-frequency application of GaN HEMTs and new insights into the physical origin of their C OSS loss.1

42 ENGINEERING↗
DOE OSTI2021

In situ/operando soft x-ray spectroscopy of chemical interfaces in gas and liquid environments

Many energy storage and energy conversion systems are based on the complexity of material architecture, chemistry, and interfacial interactions. To understand and thus ultimately control the energy applications calls for in situ/operando characterization tools. Over the years, in situ/operando soft x-ray spectroscopy has been developed for the studies of gas molecules, molecular liquids, catalytic, and electrochemical reactions. Soft x-ray spectroscopy offers electronic structure characterization of materials in energy conversion, energy storage, and catalysis regarding functionality, complexity of material architecture, and chemical interactions. It has been shown how to use the powerful in situ/operando soft x-ray spectroscopy characterization techniques of interfacial phenomena and how to reveal the mechanism of charge transfer and chemical transformation of solid/gas and solid/liquid interfaces of energy storage and catalytic materials in a realistic environment. It has been demonstrated how to overcome the challenge that soft x-rays cannot easily peek into the high-pressure catalytic or liquid electrochemical reactions. Finally, the unique design of in situ/operando soft x-ray spectroscopy instrumentation and fabrication principle and examples of experiments are presented.

36 MATERIALS SCIENCE↗
DOE OSTI2024

On the Life Expectancy of High-Power CW magnetrons for Superconducting Accelerators*

Utilization of the high-power CW magnetrons as RF sources in SRF accelerators was proposed in a number of works, e.g., [1, 2]. But typically, the CW high-power magnetrons are designed as RF sources for industrial heating, and the lifetime of the tubes is not the first priority as it is required for high-energy accelerators. The high-power CW magnetrons use cathodes made of pure tungsten. The emission properties of the tungsten cathodes are not deteriorated much by electron and ion bombardment, but the latter causes sputtering of the cathode in the magnetron crossed fields. The sputtered cathode material covers the magnetron interior. That leads to sparks and discharges in a magnetron limiting its lifetime. Thus, the life expectancy estimates are highly important for application of CW magnetrons in SRF accelerator projects.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Atomic Structure, Dynamics, Changes in Chemical Bonding and Semiconductor-Metal Transition in Sb 2 Se 3 : A Remarkable Material for Quantum Networks and Energy Applications

Antimony sesquiselenide has become an outstanding functional material for photovoltaics, energy storage and transformation, memory and photonic applications. Sb 2 Se 3 is one of the most successful emerging solar light absorbers and has also been identified as a highly promising ultralow-loss phase-change material (PCM) for next-generation coherent nanophotonic processors, photonic tensor cores, quantum and neuromorphic networks. Unlike benchmark telluride PCMs, Sb 2 Se 3 features a quasi-one-dimensional (1D) crystalline structure consisting of (Sb 4 Se 6 ) ∞ ribbons, lacks the typical PCM chemical bonding, and undergoes an extended semiconductor-metal transition above the melting point. Consequently, the origin of high optical contrast between crystalline (SET) and amorphous (RESET) logic states remains elusive and presents a significant challenge. Using high-energy X-ray diffraction and Raman spectroscopy over a wide temperature range, supported by first-principles simulations and complemented by thermal, optical and electrical measurements, as well as by 121 Sb-Mossbauer spectroscopy, the quasi-1D network of orthorhombic antimony sesquiselenide was found to undergo significant evolution in amorphous and supercooled Sb 2 Se 3 , leading to lower coordination, shorter interatomic distances and a higher p-electron density on antimony, indicating changes in chemical bonding. The observed novel Sb 2 Se 3 nanocrystalline polymorph, characterized by trigonal antimony coordination and more isolated Sb-Se ribbons, could help reduce multiple trapping defect states in the bandgap, which are typical of orthorhombic Sb 2 Se 3 , thereby enhancing the power-conversion efficiency of photovoltaic devices. Semimetallic and metallic liquid Sb 2 Se 3 exhibit a gradual transformation into a denser 2D and/or 3D network with higher antimony coordination. Localized electron states in the pseudogap are becoming extended, leading to an increase in electronic conductivity σ following the relationship σ ∝ N(E F ) 2 . Liquid Sb 2 Se 3 also appears to be strongly fragile, with a nonmonotonic change in viscosity and higher atomic mobility in the metallic liquid. Furthermore, these results explain extraordinary functionalities of Sb 2 Se 3 for photonic and energy applications.

antimony↗
DOE OSTI2025

Analysis of AC-DC Converters for Grid-tied High Temperature Steam Electrolysis Systems

Grid-tied HTSE systems have the prospects to produce clean hydrogen enabling power and broad energy systems decarbonization. Most commercially available power electronic converter systems (PECS) are designed for batteries, solar PVs, wind, and other well-established renewable energy resources. Standards (such as IEEE 1547, UL 1741, CA Rule-21, HI Rule14) exist for PECS used for renewable energy systems such as battery storage and solar PVs. However, those that consider the dynamic behavior of HTSEs and that can be used for large-scale H2 systems are yet to be developed. This paper investigates the performance of these PECS for the HTSE application that are set up at the Idaho National Laboratory for hydrogen production testing, research and development. In particular, the performance analysis of two grid-tied PECS (A and B) is conducted for a 100 kW solid oxide HTSE system. System A consists of 6 units of 30kW MOSFET-switched bidirectional AC-DC rectifier while system B has a single unit of 150kW thyristor-switched AC-DC rectifier. Both systems are connected to the HTSE stacks via a DC-DC converter. Different operational conditions of the HTSE system are tested to analyze the dynamic response of the HTSE’s PECS. The experimental results show the need to develop advanced control strategies for PECS that incorporates the dynamics of HTSE systems for improved performance.

High temperature steam electrolysis↗
DOE OSTI2023

Combined Coherent Manipulation and Single-Shot Measurement of an Electron Spin in a Quantum Dot (Final Technical Report)

Semiconductor quantum dots (QDs) are promising candidates to act as single-photon sources and/or quantum bits in future optical quantum information applications. Their excellent optical properties such as high brightness, single-photon purity, and narrow linewidth have potential utility in many areas. One challenge is to control the energy levels of the QD without using a magnetic field. The AC Stark effect offers the opportunity to do this. We have demonstrated record-large AC Stark shifts of the energy states of a single charged QD. We showed that the shifts can be applied in a spin-selective manner by controlling the polarization of the laser producing the AC Stark effect. In order to characterize the effect, we developed a novel spectral filtering scheme to discriminate the high-power AC Stark laser from the QD fluorescence. We also developed a compact, low-cost, homemade polarimeter to help control the polarization of the AC Stark laser, which enabled the spin selectivity of the AC Stark effect. With the practical capabilities thus developed, we learned that the spin-selective AC Stark effect causes electron spin pumping, which in turn causes nuclear spin pumping via the hyperfine interaction. The nuclear spin pumping causes a mean field Zeeman interaction between the nuclear spin ensemble and the electron trapped in the QD, resulting in the so-called Overhauser shift. The magnitude of the Overhauser shift and the measured linewidth of the QD’s optical transitions enabled characterization of the mean nuclear spin polarization and fluctuations. The potentially rapid (ns-scale) control of the QD energy levels and nuclear spin polarization will enable measurements of electron and nuclear spin polarization in the absence of any real magnetic field, which is a completely unique capability. The ability to rapidly apply a spin-selective AC Stark effect in the presence of a weak real magnetic field will allow control of the polarization selection rules of the transitions, enabling all single-qubit operations on the electron spin, i.e., initialization, coherent manipulation, and quantum non-demolition measurement.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Reactivity of the Hydrated Electron

Hydrated electrons are created in virtually every radiation environment and in many photochemical or electrochemical environments where liquid water is present, so their reaction products and reaction rate constants are naturally important in applications. Thanks to the strong optical absorbance of (e - ) aq , these rate constants are easy to measure, and a large database has been accumulated. It is not generally appreciated that no working theory of hydrated electron reaction rates presently exists. We discuss key experimental observations of hydrated electron reactions in the context of recent progress in theoretical and simulation developments toward understanding them, made possible by ever increasing computational power.

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

Evaluation of COTS Electronics by Power Spectrum Analysis and Multivariate Data Analysis

Power spectrum analysis (PSA) is a fast, non-destructive, sensitive method for examining commercial off-the-shelf ( COTS ) electronic components. These features make PSA attractive for both component screening and surveillance in support of component reliability efforts. Current analysis methods limit the utility of PSA due to the need to manually examine the results of analysis to identify anomalous parts. This study demonstrates the development and application of a workflow to automate the screening of COTS electronic components. Further, this study demonstrates the use of multivariate algorithms to assess aging of Zener diodes. These workflows can be readily extended to other components, combining the benefits of PSA and multivariate analysis to screen and evaluate COTS electronic components.

42 ENGINEERING↗
DOE OSTI2021

Resonant soft X-ray scattering in polymer science

Resonant soft X-ray scattering (RSoXS) is an emerging, powerful technique to probe the nano-to-mesoscale structure of polymers and other molecules. It joins together small-angle X-ray scattering (a statistical nanoprobe) with X-ray spectroscopy that brings with it unique chemical and bond-orientation sensitivity. Through over a decade of discovery and development, RSoXS is moving from a niche technique applied to organic electronic thin films to a mature tool applicable to a plethora of polymeric and molecular systems, encompassing new modalities, analyses, and simulation methods. This development promises to deliver increasingly quantitative answers to challenging questions in polymer science as well as expand its usefulness to complementary fields. Here, this review presents a full synopsis of the technique, including background on the theoretical underpinnings, measurement best practices, and examples of recent RSoXS applications and discoveries provided here to accelerate the transition to a broader range of soft matter and polymeric fields.

36 MATERIALS SCIENCE↗