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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 73 records · Page 4

In Situ Study of Resistive Switching in a Nitride‐Based Memristive Device

Abstract Resistive switching (RS) devices with ultra‐low‐voltage threshold and reliable switching repeatability exhibits great potential applications in energy‐efficient data storage and neuromorphic computing. Understanding switching mechanisms at nanoscale is critical to design RS devices with improved performance. In this work, a lamella memristive device using focused ion beam (FIB) method based on the metal/TiO x /TiN/Si structure device is fabricated. In situ transmission electron microscopy (TEM) and current–voltage ( I–V ) characteristic demonstrate that the lamella device shows a volatile RS behavior with a threshold switching at ≈ ± 0.4 V. In situ scanning transmission electron microscopy (STEM) experiments with electron energy loss spectroscopy (EELS) reveal that the charge carriers such as oxygen vacancies migrate under positive/negative DC bias and modulate Schottky barriers at the top and bottom metal/semiconductor interfaces. The RS mechanism of the lamella device is based on the Schottky barriers modulation and Joule heating assisted electric field triggered thermal runaway (FTTR) occurred at the metal/semiconductor interfaces. The fundamental insights gained from this study presents a perspective on interface‐type RS devices processing and opens up new technological opportunities of fabricating ultra‐low‐energy memristive devices.

36 MATERIALS SCIENCE↗

A New Design Consideration for Bidirectional Resonant Converters

This paper introduces innovative design considerations for a bidirectional resonant converter, optimized for Electric Vehicle (EV) charging and vehicle-togrid (V2G) applications. By eliminating the need for complex voltage or current gain functions, the proposed design greatly simplifies the development process, making it more accessible for manufacturers and system integrators. This approach not only reduces engineering time and resource investment but also accelerates time-to-market, giving stakeholders a competitive edge in rapidly expanding EV infrastructure markets. In addition, the streamlined design ensures soft switching at maximum output power, leading to higher efficiency and improved durability, which translates to lower operating costs and a longer service life for EV charging equipment. These benefits provide a clear pathway to more cost-effective, scalable, and sustainable EV charging and V2G solutions, enhancing value for stakeholders by facilitating smoother integration into the grid and supporting energy resilience. To validate the benefits, a 60 kW bidirectional charger with a flexible input range of 700−900VDC and an output range of 400−1250VDC was developed, underscoring the design's adaptability and potential for large-scale implementation.

Asa, Erdem [ORNL] (ORCID:0000000190884812)↗

In-orbit operation of Resolve Filter Wheel and modulated X-ray source

The Resolve soft X-ray spectrometer is a high spectral resolution microcalorimeter spectrometer for the X-ray Imaging and Spectroscopy Mission. In the beam of Resolve, there is a filter wheel containing X-ray filters. In the beam, there is also an active calibration source, the modulated X-ray source (MXS), which can provide pulsed X-rays to facilitate gain calibration. The filter wheel consists of six filter positions. Two open positions, one 55 Fe source to aid in spectrometer characterization during the commissioning phase, and three transmission filters: a neutral density filter, an optical blocking filter, and a beryllium filter. The X-ray intensity, pulse period, and pulse separation of an MXS are highly configurable. Furthermore, the switch-on time is synchronized with the spacecraft’s internal clock to give accurate start and end times of the pulses. One of the issues raised during ground testing was the susceptibility of an MXS at high voltage to ambient light. Although measures were taken to mitigate the light leak, the efficacy of those measures must be verified in orbit. Along with an overview of issues raised during ground testing, we will discuss the calibration source and the filter performance in-flight and compare with the transmission curves present in the Resolve calibration database.

X-ray Imaging and Spectroscopy Mission/Resolve↗

An Optimized H5 Hysteresis Current Control with Clamped Diodes in Transformer-Less Grid-PV Inverter

With the rise of renewable energy penetration in the grid, photovoltaic (PV) panels are connected to the grid via inverters to supply solar energy. Transformer-less grid-tied PV inverters are gaining popularity because of their improved efficiency, reduced size, and lower costs. However, they can induce a path for leakage currents between the PV and the grid due to the absence of galvanic isolation. This leads to serious electromagnetic interference, loss in efficiency, and safety concerns. The leakage current is primarily influenced by the nature of the common mode voltage (CMV), which is determined by the switching techniques of the inverter. In this paper, a novel inverter topology of Hysteresis Controlled H5 with Two Clamping Diodes (HCH5-D2) is derived. The HCH5-D2 topology helps decouple the AC part (Grid) and DC part (PV) during the freewheeling period to make the CMV constant, thereby reducing the leakage current. Additionally, the extra diodes help reduce voltage spikes generated during the freewheeling period and maintain the CMV at a constant value. Finally, a 2.2 kW grid-connected single-phase HCH5-D2 PV inverter system’s MATLAB simulation is presented, showing better results compared to a traditional H4 inverter.

42 ENGINEERING↗

Molecular-scale Insights into Cooperativity Switching of x TAB Adsorption on Gold Nanoparticles

Quantifying adsorption behaviors is crucial for various applications such as catalysis, separation, and sensing, yet it is generally challenging to access in solution. Here, we report a combined experimental and computational study of the adsorption behaviors of alkyl-trimethylammonium bromides (xTAB), a class of ligands important for colloidal nanoparticle stabilization and shape control, with various alkyl chain lengths x on Au nanoparticles. We use density functional theory (DFT) to calculate xTAB binding energies on Au{111} and Au{110} surfaces with standing-up and lying-down configurations, which provides insights into the adsorption affinity and cooperativity differences of xTAB on these two facets. We demonstrate the key role of van der Waals interactions in determining the xTAB adsorption behavior. These computational results predict and explain the experimental discovery of xTAB’s adsorption behavior switch from stronger affinity, negative cooperativity to weaker affinity, positive cooperativity when the concentration of xTAB increases in solution. We also show that in the standing-up configuration, bilayer adsorption may occur on both facets, which can lead to different differential binding energies and consequently adsorption crossover between the two facets when the ligand concentration increases. Our combined experimental and computational approaches demonstrate a paradigm for gaining molecular-scale insights into adsorbate–surface interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Design and performance of parallel-channel nanocryotrons in magnetic fields

We introduce a design modification to conventional geometry of the cryogenic three-terminal switch, the nanocryotron (nTron). The conventional geometry of nTrons is modified by including parallel current-carrying channels, an approach aimed at enhancing the device's performance in magnetic field environments. The common challenge in nTron technology is to maintain efficient operation under varying magnetic field conditions. Here, we show that the adaptation of parallel channel configurations leads to an enhanced gate signal sensitivity, an increase in operational gain, and a reduction in the impact of superconducting vortices on nTron operation within magnetic fields up to 1 T. Contrary to traditional designs that are constrained by their effective channel width, the parallel nanowire channels permits larger nTron cross sections, further bolstering the device's magnetic field resilience while improving electro-thermal recovery times due to reduced local inductance. This advancement in nTron design not only augments its functionality in magnetic fields but also broadens its applicability in technological environments, offering a simple design alternative to existing nTron devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Experimental and theoretical study of energy transfer in a chromophore triad: What makes modeling dynamics successful?

Simulation of electronic dynamics in realistically large molecular systems is a demanding task that has not yet achieved the same level of quantitative prediction already realized for its static counterpart. This is particularly true for processes occurring beyond the Born–Oppenheimer regime. Non-adiabatic molecular dynamics (NAMD) simulations suffer from two convoluted sources of error: numerical algorithms for dynamics and electronic structure calculations. While the former has gained increasing attention, particularly addressing the validity of ad hoc methodologies, the effect of the latter remains relatively unexplored. Indeed, the required accuracy for electronic structure calculations to reach quantitative agreement with experiment in dynamics may be even more strict than that required for static simulations. In this study, we address this issue by modeling the electronic energy transfer in a donor–acceptor–donor (D–A–D) molecular light harvesting system using fewest switches surface hopping NAMD simulations. In the studied system, time-resolved experimental measurements deliver complete information on spectra and energy transfer rates. Subsequent modeling shows that the calculated electronic transition energies are “sufficiently good” to reproduce experimental spectra but produce over an order of magnitude error in simulated dynamical rates. We further perform simulations using artificially shifted energy gaps to investigate the complex relationship between transition energies and modeled dynamics to understand factors affecting non-radiative relaxation and energy transfer rates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Optical response of a dual membrane active–passive optomechanical cavity

Highlights: • The optical response is determined by competition between photon-tunneling, two-phonon process, gain effect. • The photon-tunneling adjusts supermode frequency. • The absorption coefficient can exceed 1. • Not only realize fast/slow light but conversion between fast and slow light. We investigate a dual membrane active–passive cavity where each mechanical membrane individually quadratically coupled to passive and active cavities via two-phonon process. Due to the fact that in the quadratically coupled optomechanical system mean-field approximation fails, hence to analyze the system completely, we switch to a more generalized out of equilibrium approach, namely Keldysh Green’s functional approach. We calculate transmission rate using predetermined full retarded Green’s function, and then numerically examine the effect of the various parameters on the transmission coefficient and discuss the features and physical mechanism behind them in detail. On the basis of the optical responsivity we further extend our study to fast and slow light phenomenon. The results show that our proposed system can not only realize ultra-fast/ultra-slow light under proper choice of cavity parameters but also a realization of the conversion between fast and slow light and vice versa has also been pointed out.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A custom high-stability pulse generator for the test of a novel in-situ magnetic sensor developed to detect radiation damage in undulators

High-performance analog-to-digital converters (ADC) have been widely applied in many areas of science. For instance, magnetic field measurements based on the Faraday’s induction law require high-precision voltmeters to measure induced voltages. In this study in the context of free-electron lasers technology, the Magnetic Measurements Team at SLAC National Accelerator Laboratory proposed a novel in-situ radiation damage detection system (RDDS) for detecting small field variations in undulators. The system measures the flux change in a flexible printed-circuit coil attached to the magnet array during the undulator gap movement. The gap movement changes the magnetic field, which induces a voltage signal in the coil that is measured and integrated with an ADC. Although the system is capable of detecting relative flux changes better than 100 ppm, drift in the ADC’s gain or offset can cause apparent changes in the relative flux. This paper describes the first attempt to developed a high-precision verification circuit to perform ADC testing in the framework of the novel RDDS. The circuit generates a reference voltage pulse with a voltage–time integral relative precision better than 50 ppm for a few hundreds of mVs — the typical order of magnitude measured with the RDDS. The circuit’s design combines a fast and precise switch with a low-noise voltage reference. Long-term measurements allowed statistical analysis and showed that averaging the voltage–time integral of ten pulses gives the required 50 ppm stability. Moreover, reproducibility tests confirmed that the circuit’s output is invariable under small power supply instabilities and equipment shutdown. Instruments and applications designed to quantify the magnetic field by integrating voltage signals may use the pulse generator proposed in this paper for verification purposes.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Characterization of carrier behavior in photonically excited 6H silicon carbide exhibiting fast, high voltage, bulk transconductance properties

Abstract Unabated, worldwide trends in CO 2 production project growth to > 43-BMT per year over the next two decades. Efficient power electronics are crucial to fully realizing the CO 2 mitigating benefits of a worldwide smart grid (~ 18% reduction for the United States alone). Even state-of-the-art SiC high voltage junction devices are inefficient because of slow transition times (~ 0.5-μs) and limited switching rates at high voltage (~ 20-kHz at ≥ 15-kV) resulting from the intrinsically limited charge carrier drift speed (< 2 × 10 7 -cm-s −1 ). Slow transition times and limited switch rates waste energy through transition loss and hysteresis loss in external magnetic components. Bulk conduction devices, where carriers are generated and controlled nearly simultaneously throughout the device volume, minimize this loss. Such devices are possible using below bandgap excitation of semi-insulating (SI) SiC single crystals. We explored carrier dynamics with a 75-fs single wavelength pump/supercontinuum probe and a modified transient spectroscopy technique and also demonstrated a new class of efficient, high-speed, high-gain, bi-directional, optically-controlled transistor-like power device. At a performance level six times that of existing devices, for the first time we demonstrated prototype operation at multi-10s of kW and 20-kV, 125-kHz in a bulk conduction transistor-like device using direct photon-carrier excitation with below bandgap light.

36 MATERIALS SCIENCE↗

Performance and Accuracy Implications of Parallel Split Physics-Dynamics Coupling in the Energy Exascale Earth System Atmosphere Model

Simultaneous calculation of atmospheric processes is faster than calculating processes one at a time. This type of parallelism is beneficial or perhaps even necessary to provide good performance on modern supercomputers, which achieve faster performance through increased processor count rather than improved clock speed. The scalability of the Energy Exascale Earth System Model (E3SM) Atmosphere Model (EAM) is limited by the fluid dynamics which scales up to the number of mesh cells in the global mesh. In contrast, the suite of physics parameterizations in EAM is scalable up to the total number of physics columns, which is an order of magnitude greater than the number of mesh cells. A proposed solution to unlocking the greater potential performance from the physics suite is to solve the physics and dynamics in parallel. This work represents a first attempt at parallel splitting of the grid-scale fluid dynamics model and the subgrid-scale physics parameterizations in a global atmosphere model. We will demonstrate that switching to parallel physics-dynamics coupling extends the scalability of the EAM to up to 3 times the previous peak scalability limit and is up to 20% faster than the sequentially split coupling at the highest core counts and the same time step. Decadal simulations of both coupling approaches show very little impact to the model climate. This improved performance does not come without drawbacks, however. Parallel splitting requires a shorter time step and other modifications which largely offset performance gains. A mass fixer is required for conservation. Techniques for mitigating these issues are also discussed.

97 MATHEMATICS AND COMPUTING↗

Physics for neuromorphic computing

Neuromorphic computing takes inspiration from the brain to create energy-efficient hardware for information processing, capable of highly sophisticated tasks. Systems built with standard electronics achieve gains in speed and energy by mimicking the distributed topology of the brain. Scaling-up such systems and improving their energy usage, speed and performance by several orders of magnitude requires a revolution in hardware. Here, we discuss how including more physics in the algorithms and nanoscale materials used for data processing could have a major impact in the field of neuromorphic computing. We review striking results that leverage physics to enhance the computing capabilities of artificial neural networks, using resistive switching materials, photonics, spintronics and other technologies. We discuss the paths that could lead these approaches to maturity, towards low-power, miniaturized chips that could infer and learn in real time.

device physics↗

Structural basis for allosteric regulation of pyruvate kinase M2 by phosphorylation and acetylation

Pyruvate kinase muscle isoform 2 (PKM2) is a key glycolytic enzyme and transcriptional coactivator and is critical for tumor metabolism. In cancer cells, native tetrameric PKM2 is phosphorylated or acetylated, which initiates a switch to a dimeric/monomeric form that translocates into the nucleus, causing oncogene transcription. However, it is not known how these post-translational modifications (PTMs) disrupt the oligomeric state of PKM2. We explored this question via crystallographic and biophysical analyses of PKM2 mutants containing residues that mimic phosphorylation and acetylation. We find that the PTMs elicit major structural reorganization of the fructose 1,6-bisphosphate (FBP), an allosteric activator, binding site, impacting the interaction with FBP and causing a disruption in oligomerization. To gain insight into how these modifications might cause unique outcomes in cancer cells, we examined the impact of increasing the intracellular pH (pHi) from ~7.1 (in normal cells) to ~7.5 (in cancer cells). Biochemical studies of WT PKM2 (wtPKM2) and the two mimetic variants demonstrated that the activity decreases as the pH is increased from 7.0 to 8.0, and wtPKM2 is optimally active and amenable to FBP-mediated allosteric regulation at pHi 7.5. However, the PTM mimetics exist as a mixture of tetramer and dimer, indicating that physiologically dimeric fraction is important and might be necessary for the modified PKM2 to translocate into the nucleus. Thus, our findings provide insight into how PTMs and pH regulate PKM2 and offer a broader understanding of its intricate allosteric regulation mechanism by phosphorylation or acetylation.

59 BASIC BIOLOGICAL SCIENCES↗

A Variable Pressure Multi-Pressure Rail System Design for Agricultural Applications

This paper presents a solution for reducing energy loss in the hydraulic control system of agricultural tractors and their implements. The solution is referred to as a multi-pressure rail (MPR) and provides power to the hydraulic functions following a pressure control logic, as opposed to the traditional flow control logic typical of hydraulic systems used in off-road vehicles. The proposed hydraulic control system allows for elimination of redundant flow control valves in the state-of-the-art system, which cause excessive throttling losses leading to poor overall energy efficiency. Related work on MPR technology targets construction vehicles, where the MPR solution can allow energy recovery during overrunning loads and better engine management. This paper alternatively addresses the case of agricultural applications where functions mostly operate under resistive load conditions with slow dynamics, which offers an opportunity to target throttle losses. For this purpose, the paper introduces a variable pressure control strategy to handle the instantaneous pressure at each rail. To develop both the controller and the hydraulic system architecture, a stationary test rig is conceived and used to validate a numerical simulation model of the MPR system and its control strategy. Particular focus is given to the dynamic behavior of the system during the switches of a function between different pressure rails, which needs to ensure reduced oscillations of the flow provided to each hydraulic function. Once validated, the simulation model is used to predict the energy savings of the MPR solution in an actual application: a 435 hp hydraulic tractor powering a 16-row planter, for which operating features during typical drive cycles were available to the authors. The results show up to 59% total power reduction at the pump shaft, corresponding to 89.8% system efficiency gain.

36 MATERIALS SCIENCE↗

Selective atomic sieving across metal/oxide interface for super-oxidation resistance

Abstract Surface passivation, a desirable natural consequence during initial oxidation of alloys, is the foundation for functioning of corrosion and oxidation resistant alloys ranging from industrial stainless steel to kitchen utensils. This initial oxidation has been long perceived to vary with crystal facet, however, the underlying mechanism remains elusive. Here, using in situ environmental transmission electron microscopy, we gain atomic details on crystal facet dependent initial oxidation behavior in a model Ni-5Cr alloy. We find the (001) surface shows higher initial oxidation resistance as compared to the (111) surface. We reveal the crystal facet dependent oxidation is related to an interfacial atomic sieving effect, wherein the oxide/metal interface selectively promotes diffusion of certain atomic species. Density functional theory calculations rationalize the oxygen diffusion across Ni(111)/NiO(111) interface, as contrasted with Ni(001)/NiO(111), is enhanced. We unveil that crystal facet with initial fast oxidation rate could conversely switch to a slow steady state oxidation.

(S)TEM, oxidizing metals↗

A review of crosstalk polymorphic circuits and their scalability

Using a control variable, the functionality of Polymorphic circuits can be modified, making them adaptable and useful for reconfiguring circuit behavior — all the way from gate level to system level. State-of-the art polymorphic circuits are based on custom non-linear circuit design or emerging devices such as ambipolar FET, configurable magnetic devices etc. While some of these approaches are inefficient in performance, others involve exotic devices. The Crosstalk computing based polymorphic circuits offer a fresh perspective. In Crosstalk, the interconnect interference between nanoscale metal lines is intentionally engineered to exhibit the programmable Boolean logic behavior. This approach relies on the coupling between metal lines and not on the transistors for computing, resulting in better scalability, security by obscurity, and fault tolerance by reconfiguration. Our novel approach is backed by the mathematical formulation that conveys the rationale to generalize and achieve a wide variety of polymorphic circuits. Our experiments, including design, simulation, and Power Performance Area (PPA) characterization results indicate that crosstalk circuits provide significant improvement in transistor count (about 3x), switching energy (2x), and speed (1.5x) for polymorphic logic circuits. In the best-case scenario, the transistor count reduction is 5x. This paper presents Crosstalk computing’s fundamentals, polymorphism and the scalability aspects to compete/co-exist with CMOS for digital logic implementations below 10 nm. Our scalability study uses Open Source 7 nm PDK, considers all process variation aspects and accommodates worst-case scenarios. The study results for various benchmark circuits show that the Crosstalk technology is a viable alternative to CMOS for digital logic implementations below 10 nm, having 48% density, 57% power, and 10% performance gains over equivalent CMOS counterparts. Finally, we compare Crosstalk Polymorphic Circuit design technique with similar approaches described in related works and discuss its features and constraints.

97 MATHEMATICS AND COMPUTING↗

Filament Formation in TaO x Thin Films for Memristor Device Application: Modeling Electron Energy Loss Spectra and Electron Transport

Abstract Although understanding filament formation in oxide‐based memristive devices by theory has emerged, there are still fundamental unanswered questions. Importantly, for practical application of thin films the material in its amorphous state is to be considered, but mostly lacking so far, and details on sub‐stoichiometry are also scarce. To gain insight into the optical and electronic properties of sub‐stoichiometric amorphous tantalum oxide (TaO x ), the electron energy loss spectrum (EELS) of model systems is characterized theoretically and electron transport characteristics are analyzed in detail. Calculated blue‐shifts by increasing sub‐stoichiometry explained the measurements, potentially suggesting estimation of oxygen vacancy concentrations through EEL spectra. Electron transport results based on TaO x material models validated by EELS measurements show that oxygen vacancy filamentary paths are initiated at low bias upon increasing sub‐stoichiometry yet noting an interplay with the local amorphous structure. Contact resistances at interfaces of the TaO x switching layer and a tantalum scavenging layer or titanium nitride electrode are quantified, indicating the possibility for either oxygen vacancy‐ or metal cluster‐based conduction mechanisms at the interface. The computational work, combined with experimental characterization for validation, provides a basis for investigating effects of sub‐stoichiometry on filament formation in TaO x thin film memristive devices.

36 MATERIALS SCIENCE↗

Machine-learning-aided cognitive reconfiguration for flexible-bandwidth HPC and data center networks [Invited]

This paper proposes a machine-learning (ML)-aided cognitive approach for effective bandwidth reconfiguration in optically interconnected datacenter/high-performance computing (HPC) systems. The proposed approach relies on a Hyper-X-like architecture augmented with flexible-bandwidth photonic interconnections at large scales using a hierarchical intra/inter-POD photonic switching layout. We first formulate the problem of the connectivity graph and routing scheme optimization as a mixed-integer linear programming model. A two-phase heuristic algorithm and a joint optimization approach are devised to solve the problem with low time complexity. Then, we propose an ML-based end-to-end performance estimator design to assist the network control plane with intelligent decision making for bandwidth reconfiguration. Numerical simulations using traffic distribution profiles extracted from HPC applications traces as well as random traffic matrices verify the accuracy performance of the ML design estimator ( < <#comment/> 9 % <#comment/> error) and demonstrate up to 5 × <#comment/> throughput gain from the proposed approach compared with the baseline Hyper-X network using fixed all-to-all intra/inter-portable data center interconnects.

Chen, Xiaoliang (ORCID:0000000278056237)↗