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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Can upstream biofuel production increase the flow of downstream ecosystem goods and services?

Here, advanced biomass feedstocks tend to provide more non-fuel ecosystem goods and services (ES) than 1st-generation alternatives. We explore the idea that payment for non-fuel ES could facilitate market penetration of advanced biofuels by closing the profitability gap. As a specific example, we discuss the Mississippi-Atchafalaya River Basin (MARB), where 1st-generation bioenergy feedstocks (e.g., corn-grain) have been integrated into the agricultural landscape. Downstream, the MARB drains to the Gulf of Mexico, where the most-valuable fishery in the US is impacted by annual formation of a large hypoxic “Dead zone.” We suggest that advanced biomass production systems in the MARB can increase and stabilize the provision of ES derived from the coastal and marine ecosystems of the Gulf-of-Mexico. Upstream, we suggest that choosing feedstocks based on their resistance or resilience to disturbance (e.g., perennials, diverse feedstocks) can increase reliability in ES provision over time. Direct feedbacks to incentivize producers of advanced feedstocks are currently lacking. Perhaps a shift from first-generation biofuels to perennial-based fuels and other advanced bioenergy systems (e.g., algal diesel, biogas from animal wastes) can be encouraged by bringing downstream environmental externalities into the market for upstream producers. In future, we can create such feedbacks through payments for ES, but significant research is needed to pave the way.

09 BIOMASS FUELS↗
DOE OSTI2023

Electronic Structure of the Complete Series of Gas-Phase Manganese Acetylacetonates by X-ray Absorption Spectroscopy

Metal centers in transition metal–ligand complexes occur in a variety of oxidation states causing their redox activity and therefore making them relevant for applications in physics and chemistry. The electronic state of these complexes can be studied by X-ray absorption spectroscopy, which is, however, due to the complex spectral signature not always straightforward. Here, we study the electronic structure of gas-phase cationic manganese acetylacetonate complexes Mn(acac) 1–3 + using X-ray absorption spectroscopy at the metal center and ligand constituents. The spectra are well reproduced by multiconfigurational wave function theory, time-dependent density functional theory as well as parameterized crystal field and charge transfer multiplet simulations. This enables us to get detailed insights into the electronic structure of ground-state Mn(acac) 1–3 + and extract empirical parameters such as crystal field strength and exchange coupling from X-ray excitation at both the metal and ligand sites. By comparison to X-ray absorption spectra of neutral, solvated Mn(acac) 2,3 complexes, we also show that the effect of coordination on the L 3 excitation energy, routinely used to identify oxidation states, can contribute about 40–50% to the observed shift, which for the current study is 1.9 eV per oxidation state.

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

Electrical manipulation of skyrmions in a chiral magnet

Writing, erasing and computing are three fundamental operations required by any working electronic device. Magnetic skyrmions could be essential bits in promising in emerging topological spintronic devices. In particular, skyrmions in chiral magnets have outstanding properties like compact texture, uniform size, and high mobility. However, creating, deleting, and driving isolated skyrmions, as prototypes of aforementioned basic operations, have been a grand challenge in chiral magnets ever since the discovery of skyrmions, and achieving all these three operations in a single device is even more challenging. Here, by engineering chiral magnet Co 8 Zn 10 Mn 2 into the customized micro-devices for in-situ Lorentz transmission electron microscopy observations, we implement these three operations of skyrmions using nanosecond current pulses with a low current density of about 10 10 A·m -2 at room temperature. A notched structure can create or delete magnetic skyrmions depending on the direction and magnitude of current pulses. We further show that the magnetic skyrmions can be deterministically shifted step-by-step by current pulses, allowing the establishment of the universal current-velocity relationship. These experimental results have immediate significance towards the skyrmion-based memory or logic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Analysis of the Fe 2p XPS for hematite α Fe2O3: Consequences of covalent bonding and orbital splittings on multiplet splittings

The origins of the complex Fe 2p X-Ray Photoelectron Spectra (XPS) of hematite (α-Fe2O3) are analyzed and related to the character of the bonding in this compound. This analysis provides a new and novel view of the reasons for XPS binding energies (BEs) and BE shifts, which deepens the current understanding and interpretation of the physical and chemical significance of the XPS. In particular, many-body effects are considered for the initial and the final, 2p-hole configuration wavefunctions. It is shown that a one-body or one-configuration analysis is not sufficient and that the many-body, many-determinantal, and many-configurational character of the wavefunctions must be taken into account to describe and understand why the XPS intensity is spread over an extremely large number of final 2p-hole multiplets. The focus is on the consequences of angular momentum coupling of the core and valence open shell electrons, the ligand field splittings of the valence shell orbitals, and the degree of covalent mixing of the Fe(3d) electrons with the O(2p) electrons. Novel theoretical methods are used to estimate the importance of these various terms. An important consequence of covalency is a reduction in the energy separation of the multiplets. Although shake satellites are not considered explicitly, the total losses of intensity from the angular momentum multiplets to shake satellites is determined and related to the covalent character of the Fe-O interaction. The losses are found to be the same for Fe 2p1/2 and 2p3/2 ionization.

Bagus, Paul S. (ORCID:0000000349315217)↗
DOE OSTI2023

Comparison of MHD stability properties between QH-mode and ELMy H-mode plasmas by considering plasma rotation and ion diamagnetic drift effects

Magnetohydrodynamic (MHD) stability at tokamak edge pedestal in a quiescent H-mode (QH-mode) and type-I ELMy H-mode plasmas in DIII-D experiment was analyzed by considering plasma rotation and ion diamagnetic drift effects. QH-mode plasma is marginally stable to kink/peeling mode (K/PM), but ELMy H-mode one is almost unstable to peeling-ballooning mode (PBM). It was identified that there are three physics features responsible for the difference in the MHD stability properties between QH-mode plasma and ELMy H-mode one. These are the distance of pedestal foot from the last closed flux surface (LCFS), the amount of the ion diamagnetic drift frequency at pedestal, and impact of coupled rotation and ion diamagnetic drift effects. These features were confirmed through the numerical experiments that the stability properties of the QH-mode plasma can be changed to that of the ELMy H-mode one by shifting the plasma profiles inward in the radial direction and halving the ion diamagnetic drift frequency. The reasons of the change in the stability properties are thought as that K/PM is stabilized due to the inward shift of the bootstrap current profile, and PBM is destabilized due to the reduction of the coupled rotation and ion diamagnetic drift stabilizing effect. Importance of these features was validated through numerical experiments with experimental data of other QH-mode plasmas in DIII-D. All the results show that MHD stability properties of QH-mode plasma can be obtained in case that pedestal foot is close to LCFS, ion diamagnetic drift frequency is large due to high ion temperature, and strong rotation shear exists near pedestal.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Effect of parallel flow on resonant layer responses in high beta plasmas

Abstract Resonant layers in a tokamak respond to non-axisymmetric magnetic perturbations by amplifying the mode amplitude and balancing the plasma rotation through magnetic reconnection and force balance, respectively. This resonant response can be characterized by local layer parameters and especially by a single quantity in the linear regime, the so-called inner-layer Δ. The computation of Δ under two-fluid drift-MHD formalism has been progressed by reducing the order of the system in the phase space, where the shielding current is approximated as being only carried by electrons, a posteriori . In this study, we relax the approximation and compute Δ accounted for by the parallel flow associated with the ion shielding current. The posteriori is numerically verified in great agreement with the original SLAYER developed in a previous paper (J.-K. Park 2022 Phys. Plasmas 29 072506). Extending the resonant layer response theory to high β plasmas, our research findings answer two important questions: how the parallel flow influences the resonant layer response and why the parallel flow effect appears in high β plasmas. The complicated plasma compression in high β regime allows the parallel flow response to give rise to the ion shielding current, which not only shifts the zero-crossing condition of the ExB flow but also enhances the field penetration threshold. Technically, the Riccati matrix transformation method is adapted to handle the numerical stiffness due to the increased order of the system. The high fidelity of this numerical method makes use of further extension of the model to higher-order systems to take other physical phenomena into account. This work is envisaged to predict the resonant layer response under high β fusion reactor conditions.

Lee, Yeongsun (ORCID:000000034474416X)↗
DOE OSTI2019

Spin-orbit torque from a ferromagnetic metal

The switching of magnetization by current-induced spin-orbit torque (SOT) has potential applications for energy-efficient spintronic devices. In the past, most conventional works have been focused on SOT in heavy metals. Here the SOT from a ferromagnetic metal is investigated, and two mechanisms of the field-free SOT induced magnetization switching are demonstrated to be from the interlayer exchange coupling and the tilted perpendicular magnetic anisotropy. We exclude the spin torque contribution from the anomalous Hall effect and the interfacial Rashba effect combined with spin precession. A spin Hall angle θ SH = –0.022 of CoFeB is obtained by the current-induced hysteresis loop shift method, and the obtained θ SH is comparable with heavy metals. This work demonstrates that a considerable SOT can come from a ferromagnetic metal, and indicates the unconventional origin of spin-orbit coupling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

A Comprehensive Comparison of Current Operating Reserve Methodologies

Electric power systems are currently experiencing a paradigm shift from a traditionally static system to a system that is becoming increasingly more dynamic and variable. Emerging technologies are forcing power system operators to adapt to their performance characteristics. These technologies, such as distributed generation and energy storage systems, have changed the traditional idea of a distribution system with power flowing in one direction into a distribution system with bidirectional flows. Variable generation, in the form of wind and solar generation, also increases the variability and uncertainty in the system. As such, power system operators are revisiting the ways in which they treat this evolving power system, namely by modifying their operating reserve methodologies. This paper intends to show an in-depth analysis on different operating reserve methodologies and investigate their impacts on power system reliability and economic efficiency.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2018

NMR Spectroscopy Reveals Adsorbate Binding Sites in the Metal–Organic Framework UiO-66(Zr)

In this paper, we assign 1 H and 13 C NMR resonances emanating from acetone, methanol, and cyclohexane adsorbed inside the pores of UiO-66(Zr). These results are informed by density functional theory (DFT) calculations, which probe the role of two competing effects inside of the pore environment: (i) nucleus independent chemical shifts (NICSs) generated by ring currents in conjugated linkers and (ii) small molecule coordination to the metal-oxyhydroxy cluster. These interactions are found to perturb the chemical shift of in-pore adsorbate relative to ex-pore adsorbate (which resides in spaces between the MOF particles). Changes in self-solvation upon adsorption may also perturb the chemical shift. Our results indicate that cyclohexane preferentially adsorbs in the tetrahedral pores of UiO-66(Zr), while acetone and methanol adsorb at the Zr–OH moieties on the metal-oxyhydroxy clusters in a more complex fashion. Finally, this method may be used to probe molecular adsorption sites and material void saturation with selected adsorbates, and with further development may eventually be used to trace in-pore chemistry of MOF materials.

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

A New Lamination and doping Concepts for Enhanced Li – S Battery Performance

Lithium ion batteries (LIBs) clearly dominated the area of high-energy storage systems for the past decade with significant research and development activity focused on the development of cathode and anode materials to maximize the specific energy storage, stability, and cycle life of the batteries. However, with the increasing demand in the EV industry for low cost, low weight, and high-energy storage batteries to meet the EV everywhere grand challenge, the current focus of research has shifted towards the development of lithium sulfur batteries (LSB) owing to the high theoretical specific capacity exhibited by sulfur compared to other cathode materials currently available. Li–S battery shows a theoretical capacity of 1675 mAh/g corresponding to the formation of Li2S which makes sulfur a promising electrode to replace the layered transition metal oxides (~150 mAh/g) and LiFePO4 (~170 mAh/g) hitherto deployed in present LIB systems. Moreover, the abundance of sulfur in the earth’s crust makes it a more economical and highly attractive proposition compared to currently existing cathodes. Despite advantages of sulfur, the existing Li-S battery technology display poor cyclability, low coulombic efficiency (CE) and very low cycle life due to the following issues: 1. Polysulfide (PS) dissolution; 2. Sluggish kinetics of PS to Li2S conversion; 3. High PS diffusivity in the electrolyte; 4. Insulating nature or poor conductivity of sulfur/Li2S; 5. Volumetric expansion/contraction of sulfur; 6. Shuttling of PS along with Li+. These issues result in loss of sulfur causing mechanical disintegration, surface passivation of both anode and cathode, thereby decreasing the specific capacity and columbic efficiency (CE). Present generation sulfur cathodes also show low specific storage capacity, very poor charging rates and low loading densities. Research is needed to overcome the issues impeding Li-S battery technology development.

25 ENERGY STORAGE↗
DOE OSTI2015

A compact frequency tunable radio frequency phase shifter with patterned Py enabled transmission line

A well designed frequency tunable phase shifter using patterned Py with different thickness has been demonstrated. Phase shifter is implemented with a slow wave coplanar wave guide (CPW)transmission line, where the signal line has alternate short narrow and wide sections. Py is patterned on the top of narrow section for high inductance density, and inter-digital capacitor is implemented in wide section for high capacitance density. Compared with phase shifter using regular CPW, the dimension of the developed phase shifter has been reduced from 14.86 mm to4.70 mm at 2 GHz. Phase shifter based on 100 nm and 200 nm thick patterned Py with the same dimensions (14lm10lm) are implemented and investigated comprehensively. FMR frequency of 3.2 GHz and 3.6 GHz without any external magnetic field has been achieved for100 nm and 200 nm thick Py film, respectively. Thicker Py has increased inductance density from 1067.2 nH/m to 1193.2 nH/m while the center frequency of the phase shifter has been shifted to 1.80 GHz. Frequency tunability of the phase shifter has been also demonstrated withDC current. The phase shifter can provide 90phase shift continuously from 2 GHz to 1.80 GHz with DC current from 0 mA to 150 mA. As a result, the design concept has great potential in design arbitrary tunable RF components such as filters and couplers.

42 ENGINEERING↗
DOE OSTI2016

Start current of dielectric-loaded grating in Smith-Purcell radiation

In this paper, a three-dimensional dielectric loaded grating (DLG) is proposed for the Smith-Purcell (SP) device. Taking into the considerations of thickness and width of electron beam, the dispersion equation is derived by using field matches method. The complex frequency is obtained by the numerical solution of dispersion equation, in which the imaginary part represents linear growth rate. The impacts of the electron beam filling factor (EBFF) on growth rate are discussed under the condition that the beam current and beam current density are kept as constants, respectively. In addition, the start current for SP oscillator is obtained by using the dispersion relation combined with boundary conditions. The relationship between the start current and other parameters is discussed and compared with the conventional metal grating. The results show that with the increasing of EBFF, the peak growth rate increases rapidly firstly and then decreases slowly, in which the current and current density are kept as constants, respectively. For the SP oscillator, the start current is increased with the shifting up beam voltage, but it is decreased with the improved EBFF, and only it has a slightly increasing trend when EBFF is close to 1. In addition, the start current is decreased with the increasing of relative dielectric constant, which indicates that by introducing DLG, the start current can be effectively reduced. Theoretical results are in good agreement with that of the simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Modeling sea ice has impact far beyond the poles

In the 1990s, a Los Alamos National Laboratory team developed a software package known as CICE that calculates the physics of sea ice, such as how it freezes, melts and moves across the ocean’s surface, influenced by external forces such as the ocean’s currents and the ever-shifting wind.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

AlGaN High Electron Mobility Transistor for High-Temperature Logic

Here we report on AlGaN high electron mobility transistor (HEMT)-based logic development, using combined enhancement- and depletion-mode transistors to fabricate inverters with operation from room temperature up to 500°C. Our development approach included: (a) characterizing temperature-dependent carrier transport for different AlGaN HEMT heterostructures, (b) developing a suitable gate metal scheme for use in high temperatures, and (c) over-temperature testing of discrete devices and inverters. Hall mobility data (from 30°C to 500°C) revealed the reference GaN-channel HEMT experienced a 6.9x reduction in mobility, whereas the AlGaN channel HEMTs experienced about a 3.1x reduction. Furthermore, a greater aluminum contrast between the barrier and channel enabled higher carrier densities in the two-dimensional electron gas for all temperatures. The combination of reduced variation in mobility with temperature and high sheet carrier concentration showed that an Al-rich AlGaN-channel HEMT with a high barrier-to-channel aluminum contrast is the best option for an extreme temperature HEMT design. Three gate metal stacks were selected for low resistivity, high melting point, low thermal expansion coefficient, and high expected barrier height. The impact of thermal cycling was examined through electrical characterization of samples measured before and after rapid thermal anneal. The 200-nm tungsten gate metallization was the top performer with minimal reduction in drain current, a slightly positive threshold voltage shift, and about an order of magnitude advantage over the other gates in on-to-off current ratio. After incorporating the tungsten gate metal stack in device fabrication, characterization of transistors and inverters from room temperature up to 500°C was performed. The enhancement-mode (e-mode) devices’ resistance started increasing at about 200°C, resulting in drain current degradation. This phenomenon was not observed in depletion-mode (d-mode) devices but highlights a challenge for inverters in an e-mode driver and d-mode load configuration.

42 ENGINEERING↗
DOE OSTI2014

Current induced perpendicular-magnetic-anisotropy racetrack memory with magnetic field assistance

High current density is indispensable to shift domain walls (DWs) in magnetic nanowires, which limits the using of racetrack memory (RM) for low power and high density purposes. In this paper, we present perpendicular-magnetic-anisotropy (PMA) Co/Ni RM with global magnetic field assistance, which lowers the current density for DW motion. By using a compact model of PMA RM and 40 nm design kit, we perform mixed simulation to validate the functionality of this structure and analyze its density potential. Stochastic DW motion behavior has been taken into account and statistical Monte-Carlo simulations are carried out to evaluate its reliability performance.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Trustworthiness and Trust: Identifying Factors that Drive Successful Human-AI Interaction in Nuclear Power Plant Applications

Emerging technologies such as artificial intelligence (AI) and machine learning (ML) are rapidly evolving and considered a promising tool for efficient and continued safe operations of the U.S. nuclear power plants (NPPs). Emerging AI techniques like large language models (LLMs) are one such technology that may support personnel at existing NPPs perform work more efficiently. For example, operators may query the current operational status of a power plant via a chat interface leveraging LLMs to access plant-related information in an interactive manner rather than manually collecting various sensor data for tasks such as surveillances or completing work orders. This is a fundamental shift in the way operators currently perform their tasks today. The literature of human-automation interaction indicates that trust is a crucial factor that drives successful interaction between a human operator and an automated system, like an AI-infused NPP application. This work presents the results of a literature review on key factors that relate to trust in AI/LLM technologies for NPP applications. The relevant literature of human factors and cognitive engineering has identified various factors related to trust including trustworthiness, performance characteristics, operator skill and perceived risk. This preliminary literature review will guide development and evaluation of models involving the identified factors influencing trust in AI and develop a framework for human-centered design for interface between humans and AI. By addressing trust, this work supports developing a technical basis for designing key characteristics of AI/LLM to support calibrated trust, which will ultimately support wide-scale adoption of AI/LLM technologies, as well as ensure safe, effective, and reliable use.

99 - GENERAL AND MISCELLANEOUS↗
DOE OSTI2013

Assessment of lumen degradation and remaining useful life of LEDs using particle filter

With the development of light-emitting diode (LED) technology, light emitting diodes system is becoming a popular light source in daily life and industry area. It has shown that Led from same factory and work under same working condition, may have significantly different behavior. Therefore, it is very important to learn the fail mechanisms, especially in the case of safety critical and harsh environment application. This paper focus on a prognostic health management (PHM) method based on the measurement of forward voltage and forward current of bare LED under harsh environment. In this paper, experiment has been done with ten samples. Ten pristine bare LEDs have been tested at 85°C while simultaneously being subjected to 85% humid environment. Pulse width modulation (PWM) control method has been employed to drive the bare LED in order to reduce the heat effect caused by forward current and high frequency (300HZ) data acquisition has been used to measure the peak forward voltage and forward current. Test to failure (lumen drops to 70 percent) data has been measured to study the effects of high temperature and humid environment loadings on the bare LED. Also, solid state cooling method with peltier cooler has been used to control the temperature of LED in the integrating sphere when take the measurement of lumen flux. The shift of forward voltage forward current curve and lumen degradation has been recorded to help build the fail model and predicted the remaining useful life. In this method, particle filter has been employed to predict the remaining useful life (RUL) of the bare LED and give us a whole picture how Led system fails. Result shows that predication of remaining useful life of Led, made by the particle filter model works under reasonable limit, and hence this method can be employed to predict the failure of Led caused by thermal and humid stress under harsh environment.

42 ENGINEERING↗