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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 37 records · Page 2

Characterization of Impedance and Stability for Doubly-Fed Induction Generator Based on Voltage-Modulated Direct Power Control

Voltage-modulated direct power control (VM-DPC) applied to the doubly-fed induction generator (DFIG) offers superior steady-state and transient performance but remains underexplored for suppressing wideband oscillations. Here, this article proposes a comprehensive impedance for the VM-DPC-based DFIG, analyzing its impedance characteristics and stability mechanisms compared with the DFIG based on vector-oriented control (VOC). The unified power transfer function is defined for DFIGs employing VM-DPC or VOC to ensure consistent comparison benchmarks. The comprehensive impedance of VM-DPC-based DFIG, incorporating mechanical and grid-side converter (GSC) dynamics, is derived using complex vector modeling in the αβ -frame. Furthermore, the influence of VM-DPC parameters and grid strength on the stability of grid-connected DFIG systems is assessed through eigenvalue trajectory analysis. Impedance analysis reveals the significant contributions of mechanical and GSC dynamics to DFIG impedance, as well as the narrower frequency range of negative resistance in the VM-DPC-based DFIG compared to the VOC-based DFIG. Stability analysis identifies the VM-DPC parameters of the rotor-side converter as dominant factors affecting system stability and confirms that the VM-DPC-based DFIG achieves better stability under weak grid conditions than its VOC-based counterpart. These findings are validated through simulations and experiments.

42 ENGINEERING↗

High temperature corrosion sensor

A high temperature corrosion sensor is provided having (i) a housing having an external wall and an internal wall, the internal wall of the housing forming a chamber of the housing, (ii) a stainless steel tube inserted into the chamber, (iii) a ceramic tube wherein at least a portion of the ceramic tube is inserted into the stainless steel tube, (iv) an airflow tube that extends through the chamber, and (v) a sensor probe having a first working electrode, a second working electrode, a reference electrode, a positive electrical resistance, a negative electrical resistance, and a thermocouple, wherein at least a portion of each are encapsulated into a ceramic casting that is located at one end of the housing. Methods of measuring corrosion within a power plant environment are provided.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Harnessing Quantum Capacitance in 2D Material/Molecular Layer Junctions for Novel Electronic Device Functionality

Two-dimensional (2D) materials promise advances in electronic devices beyond Moore’s scaling law through extended functionality, such as non-monotonic dependence of device parameters on input parameters. However, the robustness and performance of effects like negative differential resistance (NDR) and anti-ambipolar behavior have been limited in scale and robustness by relying on atomic defects and complex heterojunctions. In this paper, we introduce a novel device concept that utilizes the quantum capacitance of junctions between 2D materials and molecular layers. We realized a variable capacitance 2D molecular junction (vc2Dmj) diode through the scalable integration of graphene and single layers of stearic acid. The vc2Dmj exhibits NDR with a substantial peak-to-valley ratio even at room temperature and an active negative resistance region. The origin of this unique behavior was identified through thermoelectric measurements and ab initio calculations to be a hybridization effect between graphene and the molecular layer. The enhancement of device parameters through morphology optimization highlights the potential of our approach toward new functionalities that advance the landscape of future electronics.

2D materials↗

Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens

Two plasmid-encoded dihydrofolate reductase (DHFR) isoforms, DfrA1 and DfrA5, that give rise to high levels of resistance in Gram-negative bacteria were structurally and biochemically characterized to reveal the mechanism of TMP resistance and to support phylogenic groupings for drug development against antibiotic resistant pathogens. Preliminary screening of novel antifolates revealed related chemotypes that showed high levels of inhibitory potency against Escherichia coli chromosomal DHFR (EcDHFR), DfrA1, and DfrA5. Kinetics and biophysical analysis, coupled with crystal structures of trimethoprim bound to EcDHFR, DfrA1 and DfrA5, and two propargyl-linked antifolates (PLA) complexed with EcDHFR, DfrA1 and DfrA5, were determined to define structural features of the substrate binding pocket and guide synthesis of pan-DHFR inhibitors.

59 BASIC BIOLOGICAL SCIENCES↗

Structural basis of undecaprenyl phosphate glycosylation leading to polymyxin resistance in Gram-negative bacteria

In Gram-negative bacteria, the enzymatic modification of Lipid A with aminoarabinose (L-Ara4N) leads to resistance against polymyxin antibiotics and cationic antimicrobial peptides. ArnC, an integral membrane glycosyltransferase, attaches a formylated form of aminoarabinose to the lipid undecaprenyl phosphate, enabling its association with the bacterial inner membrane. Here, we present cryo-electron microscopy structures of ArnC from S. enterica in apo and nucleotide-bound conformations. These structures reveal a conformational transition that takes place upon binding of the partial donor substrate. Using coarse-grained and atomistic simulations, we provide insights into substrate coordination before and during catalysis, and we propose a catalytic mechanism that may operate on all similar metal-dependent polyprenyl phosphate glycosyltransferases. The reported structures provide a new target for drug design aiming to combat polymyxin resistance.

Ashraf, Khuram U. [Rutgers University, Newark, NJ ↗

Republished: Colossal density-driven resistance response in the negative charge transfer insulator MnS 2

The Mn chalcogenides show a remarkable variation in structural and physical properties with density. In MnS 2 we observe a pronounced difference with the effects of varying hydrostaticity with pressure inducing a structural transition at 300 K. Within the pyrite phase, a colossal electrical resistance drop of 10 8 Ohms is observed by 12 GPa of nonhydrostatic compression at 300 K. DFT simulations reveal the metallization to be unexpectedly driven by previously unoccupied S$^{2-}_2$ σ$^*_{3p}$ antibonding states crossing the Fermi level. This is a seldom seen variant of the charge transfer insulator to metal transition for negative charge transfer insulators which have anions with an unsaturated valence. Finally, by 36 GPa of nonhydrostatic compression, the single presence of the low-spin insulating arsenopyrite (P2 1 /c) phase is confirmed, and the bulk metallicity is broken with the system returning to an insulative electronic state.

36 MATERIALS SCIENCE↗

Material‐Driven Neuronal Oscillators and Filters via Active Reactance in CC‐NDR and VC‐NDR Electro‐Thermal Memristors

The continued scaling of artificial intelligence and telecommunications hardware is increasingly constrained by the power, bandwidth, and area limitations of transistor-based circuits. Neuromorphic processor units, analog oscillators, and active inductors and capacitors rely on complex multi-transistor architectures restricting material choices and incurring energy and footprint overhead. Here, we show that active reactance in electro-thermal memristors provides an intrinsic, material driven route to neuronal oscillator dynamics and signal processing. Using a physics-based compact modeling framework, we bridge negative differential resistance (NDR) and bias-tunable reactance, which underlies spiking dynamics in electro-thermal memristors. Memristors with negative temperature coefficients of resistance (TCR) manifest current-controlled (CC-) NDR and act as active inductors, thus generating spiking above a critical circuit capacitance; whereas memristors with positive TCR manifest voltage-controlled (VC-) NDR and active capacitance, leading to spiking above a critical inductance. By creating a compact model for La 0.7 Ca 0.3 MnO 3 as a representative VC-NDR material and comparing it with LaCoO 3 manifesting CC-NDR, we explain the physical origins of their distinct current-voltage characteristics, reactive phase shifts and consequent spiking behaviors. Finally, we demonstrate tunable filtering enabled by the active reactance of electro-thermal memristors, establishing them as a compact hardware platform for neuronal oscillator functionality and integrated filtering beyond conventional CMOS.

active reactance↗

CO 2 –Based Dual–Tone Resists for Electron Beam Lithography

The increasing global environmental and energy crisis has urgently motivated the advancement of sustainable materials. Significant effort has been focused on developing new materials to replace the fossil-based resists in the semiconductor industry based on greener sources such as ice, dry ice, small organic molecules, and proteins. Such resist materials, however, have yet to meet the stringent requirements of high sensitivity, high resolution, reliable repeatability, and good compatibility with the current protocols. To this end, CO 2 -based polycarbonates (CO 2 -PCs) obtained from the copolymerization of CO 2 and epoxides are demonstrated as sustainable dual-tone (positive & negative tone) resists for electron beam lithography. By adjusting the chemical structure, developing agent, and molecular weight, the CO 2 -PCs present high sensitivities to electron beam (1.3/120 μC cm -2 ), narrow critical dimensions (29/58 nm), and moderate line edge roughness (4.6/26.7 nm) for negative and positive resists, respectively. Here, a deep understanding of the exposure mechanism of CO 2 -PC resists is provided on the basis of the Fourier transform infrared, Raman, and electron ionization mass spectroscopy. 2D photonic crystal devices are fabricated using the negative and positive CO 2 -PC resists, respectively, and both devices show distinct colors derived from their well-defined nanostructures, indicating the great practical potential of CO 2 -derived electron beam resists.

nanofabrication↗

Two-well injector direct-phonon terahertz quantum cascade lasers

We present an experimental study on a terahertz quantum cascade laser (THz QCL) design that combines both two-well injector and direct-phonon scattering schemes, i.e., a so-called two-well injector direct-phonon design. As a result of the two-well injector direct-phonon scheme presented here, the lasers benefit from both a direct phonon scattering scheme for the lower laser level depopulation and a setback for the doping profile that reduces the overlap of the doped region with active laser states. Additionally, our design also has efficient isolation of the active laser levels from excited and continuum states as indicated by negative differential resistance behavior all the way up to room temperature. This scheme serves as a good platform for improving the temperature performance of THz QCLs as indicated by the encouraging temperature performance results of the device with a relatively high doping level of 7.56 × 10 10 cm −2 and T max ∼ 167 K. With the right optimization of the molecular beam epitaxy growth and interface quality, the injection coupling strength, and the doping density and its profile, the device could potentially reach higher temperatures than the latest records reached for the maximum operating temperature (T max ) of THz QCLs.

47 OTHER INSTRUMENTATION↗

InAs sidewall tunnel diodes enabled by surface states

Negative differential resistance (NDR), where the device current decreases with increasing bias voltage, is a representative phenomenon where quantum mechanics induces counterintuitive physical behavior and offers promising applications such as high-frequency oscillators, amplifiers, and multilevel logic circuits. While the NDR behavior has been extensively studied in various materials and devices, the role of surface properties in NDR, particularly in InAs-based diodes, remains underexplored. In this work, we report the observation of NDR in vertically structured InAs p + n diodes that exhibit a peak-valley current ratio of ∼6, which is suitably high for applications. Circumference-normalized current–voltage characterization revealed that the NDR originates from band-to-band tunneling between the valence band of p + -InAs and the conduction band of an n + -InAs surface, where the n + surface is due to surface states on otherwise n − -InAs. In addition, by comparing devices with various surface passivation methods (without intentional passivation, benzocyclobutene polymer, and silicon nitride), we found that the surface termination significantly affects the NDR characteristics. We present an equivalent circuit model to explain the observed device behavior. These findings offer insights into surface-enabled NDR phenomena and present new knobs for engineering NDR devices.

Circuit theorems↗

Effect of Networking Density on the Patterning Performance of Molecular Layer Deposited Alucone Electron Beam/EUV Resists

One of the main barriers to continued device scaling in the era of extreme ultraviolet (EUV) lithography is the need for improved photoresist chemistries to address challenges such as poor EUV sensitivity, inadequate etch resistance, and pattern collapse. Metal-organic photoresists are a promising class of materials that can address many of these challenges, and among them, resists deposited via hybrid molecular layer deposition (MLD) have attracted interest for their unique advantages in thickness control, chemical homogeneity, and compatibility with vacuum processing. However, despite many successful demonstrations of patterning, little is known about how the molecular design of hybrid MLD resists affects their lithographic performance. In this work, we study the effect of the network structure, a common feature among all hybrid MLD resists, via a series of aluminum alkoxide ("alucone") negative tone resists with varying networking density. Their patterning mechanism is investigated via electron beam lithography (EBL)─a common proxy for EUV─and compared to their EUV-induced reactions studied via flood exposure and in situ characterization. In conclusion, we show that the resist with the least networking density demonstrates the best sensitivity and resolution, with the ability to resolve dense line/space gratings as small as 14 nm half pitch via EBL.

electron beam lithography↗

Photonic ring resonator notch filters for astronomical OH line suppression

Photonic ring resonator arrays used as notch filters are a promising novel solution to improve the signal-to-noise ratio of ground-based astronomical observations by suppressing OH emission lines in the near-infrared (NIR) wavelength range (0.9-2.5 μm). We aim to fabricate a series of ring resonators connected by a waveguide, each with its resonance wavelength and full-width-half-maximum (FWHM) matched with one of the OH emission lines. The fundamental structure of ring resonator-based notch filters is a ring resonator evanescently coupled to a waveguide. Due to the optical loss of the ring resonator, the transmission of light through the waveguide will be suppressed at the resonance wavelength of the ring resonator. The degree of suppression can be controlled by varying the coupling strength between the waveguide and the ring resonator, while the resonance wavelength can be controlled by the geometry and size of the ring. However, since a single ring resonator has multiple modes each with a different wavelength separated by its free spectral range (FSR), the additional suppression at other wavelengths may undermine the signal. Therefore, the ideal FSR off the ring resonators needs to be larger than the measurement window. For this application, we aim the FSR to be 1 larger than 30 nm . Our initial measurement results revealed two major challenges for this application. First, the FSR of the ring resonators is limited by the bending loss of ring resonators. In a standard 220 nm silicon-on-insulator material platform, the FSR of ring resonators cannot exceed 30 nm; Second, due to the wafer thickness variation and fabrication inaccuracy, the achievable accuracy in the resonance wavelength of a fabricated single ring resonator is only ~1.5 nm. In this work, we report our novel solutions to the above two challenges. For the first one, we have developed a novel structure based on the Vernier effect to greatly raise the FSR of ring resonators. Serially coupled Vernier ring structures is a typical approach to increase the FSR without encountering bending loss, but it requires restrictive matching of the coupling and optical loss of the rings and any imperfect matching can result in even noisier signals. On the contrary, our structure, as shown in shown in Fig. 1, does not require the restrictive matching. The signals of two output ports in our structure marked in Fig. 1 will be added together to form the final output signal, and Fig. 2 shows the finite-difference time-domain (FDTD) simulation results of the final output signal. As can be seen, the FSR of the entire structure is well-beyond 60 nm with little noise at other wavelengths. For the second one, we have developed an easy-to-implement method to permanently tune the resonance wavelengths of ring resonators within 0.1 nm accuracy. The tuning mechanism is based on the property of hydrogen silsesquioxane (HSQ) resist. As a negative tone electron beam resist, HSQ upon exposure will cross-link and eventually form SiO2. The refractive 2 index of HSQ resist and formed SiO2 are slightly different , enabling the tuning. By having a thin layer of HSQ resist on top of ring resonator structures followed by SiO2 cladding, the resonance wavelengths of ring resonators can be post-tuned Advances in Optical Astronomical Instrumentation 2019, edited by Simon Ellis, Céline d'Orgeville, Downloaded From: https://www.spiedigitallibrary.org/conference-proceedings-of-spie on 23 Sep 2020 Terms of Use: https://www.spiedigitallibrary.org/terms-of-use through electron beam exposure. We have found that, within 5 nm tuning range, the resonance wavelength shift and dosage applied obeys a linear relationship. So a simple calibration beforehand can result in resonance wavelength tuning within 0.1 nm accuracy. The transmission spectra of a 3-ring device before and after tuning is shown in Fig. 3.

Astronomical optics↗

Spontaneous Symmetry–Breaking of Nonequilibrium Steady–States Caused by Nonlinear Electrical Transport

Negative differential resistance (NDR) in certain materials has been attributed to spontaneous emergence of symmetry-breaking electrical current density localization from a previously homogeneous distribution, which is postulated to occur due to the nonequilibrium thermodynamic force of minimization of entropy production. However, this phenomenon has not been quantitatively predicted based on intrinsic material properties and an applied electrical stimulus. Herein an instability criterion is derived for localization of current density and temperature from a thermal fluctuation in a parallel conductor model of a thin film that is subject to Newton's law of cooling. The conditions for steady–state electro-thermal localization is predicted, verifying a decrease in entropy production upon localization. Electro-thermal localization accompanied by a decrease of entropy production is confirmed in a multiphysics simulation of current flow in a thin film. The instability criterion predicts conditions for spontaneous current density localization, relating symmetry breaking fundamentally to dynamical instability via Local Activity theory.

36 MATERIALS SCIENCE↗

Electrically‐Driven Metal‐Insulator Transitions Emerging from Localizing Current Density and Temperature

Negative differential resistance (NDR) is a key electronic response enabling two‐terminal artificial neurons that can be achieved through different physical phenomena, including phase‐homogeneous current density and temperature (electro‐thermal) localizations and spatially‐localized metal‐insulator phase transitions (MITs). These two effects have been observed to occur sequentially in select electrically‐biased transition metal oxides. However, it is unknown why and under what conditions localizing behaviors precede MITs, particularly as a function of device length scale. To this end, the interplay between phase‐homogeneous electro‐thermal localizations and MITs is investigated in a 3D multiphysics simulation of a lateral thin film device, using the material properties of the prototype MIT material VO 2 . These findings demonstrate that the MIT is nucleated through dynamically localizing current density and temperature. A critical device width (≈0.7 µm in this study) is identified, below which both the electrically‐induced electro‐thermal and phase inhomogeneities cease to appear. It is demonstrated that the formation of spatial inhomogeneities directly relates to device dimensions, and demonstrate the decoupling of NDR from the MIT through device scaling relationships. These results provide insight into the material phenomena underlying the material's electrical responses, clarifying conditions under which spatial inhomogeneities form in electrically‐biased MIT materials.

artificial neuron↗

Development of LpxH Inhibitors Chelating the Active Site Dimanganese Metal Cluster of LpxH

Abstract Despite the widespread emergence of multidrug‐resistant nosocomial Gram‐negative bacterial infections and the major public health threat it brings, no new class of antibiotics for Gram‐negative pathogens has been approved over the past five decades. Therefore, there is an urgent medical need for developing effective novel antibiotics against multidrug‐resistant Gram‐negative pathogens by targeting previously unexploited pathways in these bacteria. To fulfill this crucial need, we have been investigating a series of sulfonyl piperazine compounds targeting LpxH, a dimanganese‐containing UDP‐2,3‐diacylglucosamine hydrolase in the lipid A biosynthetic pathway, as novel antibiotics against clinically important Gram‐negative pathogens. Inspired by a detailed structural analysis of our previous LpxH inhibitors in complex with K. pneumoniae LpxH ( Kp LpxH), here we report the development and structural validation of the first‐in‐class sulfonyl piperazine LpxH inhibitors, JH‐LPH‐45 ( 8 ) and JH‐LPH‐50 ( 13 ), that achieve chelation of the active site dimanganese cluster of Kp LpxH. The chelation of the dimanganese cluster significantly improves the potency of JH‐LPH‐45 ( 8 ) and JH‐LPH‐50 ( 13 ). We expect that further optimization of these proof‐of‐concept dimanganese‐chelating LpxH inhibitors will ultimately lead to the development of more potent LpxH inhibitors for targeting multidrug‐resistant Gram‐negative pathogens.

Pharmacology & Pharmacy↗

Forest Structural Complexity and Biomass Predict First-Year Carbon Cycling Responses to Disturbance

The pre-disturbance vegetation characteristics that predict carbon (C) cycling responses to disturbance are not well known. To address this gap, we initiated the Forest Resilience Threshold Experiment, a manipulative study in which more than 3600 trees were stem girdled to achieve replicated factorial combinations of four levels (control, 45, 65, and 85% gross defoliation) of disturbance severity and two disturbance types (targeting upper or lower canopy strata). Applying a standardized stability framework in which initial C cycling resistance to disturbance was calculated as the first-year natural log response ratio of disturbance and control treatments, we investigated to what extent pre-disturbance levels of species diversity, aboveground woody biomass, leaf area index, and canopy rugosity—a measure of structural complexity—predict the initial responses of subcanopy light-saturated leaf CO 2 assimilation (A sat ), aboveground wood NPP (ANPP w ), and soil respiration (R s ) to phloem-disrupting disturbance. In the year following stem girdling, we found that above-ground C cycling processes, A sat and ANPP w , were highly resistant to increases in disturbance severity, while Rs resistance declined as severity increased. Disturbance type had no effect on first-year resistance. Pre-disturbance aboveground woody biomass, and canopy rugosity were positive predictors of ANPP w resistance and, conversely, negatively related to R s resistance. Subcanopy A sat resistance was not related to pre-disturbance vegetation characteristics. Stability of C uptake processes along with R s declines suggest the net C sink was sustained in the initial months following disturbance. Therefore, we conclude that biomass and complexity are significant, but not universal, predictors of initial C cycling resistance to disturbance. Moreover, our findings highlight the utility of standardized stability measures when comparing functional responses to disturbance.

54 ENVIRONMENTAL SCIENCES↗

Transverse barrier formation by electrical triggering of a metal-to-insulator transition

Application of an electric stimulus to a material with a metal-insulator transition can trigger a large resistance change. Resistive switching from an insulating into a metallic phase, which typically occurs by the formation of a conducting filament parallel to the current flow, is a highly active research topic. Using the magneto-optical Kerr imaging, we found that the opposite type of resistive switching, from a metal into an insulator, occurs in a reciprocal characteristic spatial pattern: the formation of an insulating barrier perpendicular to the driving current. This barrier formation leads to an unusual N-type negative differential resistance in the current-voltage characteristics. We further demonstrate that electrically inducing a transverse barrier enables a unique approach to voltage-controlled magnetism. By triggering the metal-to-insulator resistive switching in a magnetic material, local on/off control of ferromagnetism is achieved using a global voltage bias applied to the whole device.

36 MATERIALS SCIENCE↗