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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
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

A caloritronics-based Mott neuristor

Abstract Machine learning imitates the basic features of biological neural networks at a software level. A strong effort is currently being made to mimic neurons and synapses with hardware components, an approach known as neuromorphic computing. While recent advances in resistive switching have provided a path to emulate synapses at the 10 nm scale, a scalable neuron analogue is yet to be found. Here, we show how heat transfer can be utilized to mimic neuron functionalities in Mott nanodevices. We use the Joule heating created by current spikes to trigger the insulator-to-metal transition in a biased VO 2 nanogap. We show that thermal dynamics allow the implementation of the basic neuron functionalities: activity, leaky integrate-and-fire, volatility and rate coding. This approach could enable neuromorphic hardware to take full advantage of the rapid advances in memristive synapses, allowing for much denser and complex neural networks.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Steerable terahertz beams using surface waves on an active metasurface

The development of dynamic components for controlling wave fronts in the sub-terahertz region of the electromagnetic spectrum has emerged as a frontier research topic for many applications in sensing and communications. One approach which has attracted much attention involves the use of active metasurfaces, tiled arrays of sub-wavelength elements with properties that can be reconfigured via external actuation. In nearly all cases, these metasurfaces are employed as either transmissive or reflective elements, taking advantage of their strong and tunable interaction with free-space electromagnetic waves. These interactions can be significantly enhanced through the use of surface waves propagating parallel to the metasurface array, although very few studies have exploited this option. Here, we integrate a metasurface into the interior of a parallel-plate waveguide in a configuration explicitly designed to exploit this surface-wave geometry. We show that varying the electrical properties of the active metasurface changes the wave vector of the guided mode, and thereby alters the emission angle of radiation out-coupled through a leaky-wave slot aperture. These results, which are consistent with numerical simulations, represent a new approach to broadband beam steering suitable for the sub-terahertz spectral range.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Finite-difference time-domain methods

The finite-difference time-domain (FDTD) method is a widespread numerical tool for full-wave analysis of electromagnetic fields in complex media and for detailed geometries. Applications of the FDTD method cover a range of time and spatial scales, extending from subatomic to galactic lengths and from classical to quantum physics. Technology areas that benefit from the FDTD method include biomedicine — bioimaging, biophotonics, bioelectronics and biosensors; geophysics — remote sensing, communications, space weather hazards and geolocation; metamaterials — sub-wavelength focusing lenses, electromagnetic cloaks and continuously scanning leaky-wave antennas; optics — diffractive optical elements, photonic bandgap structures, photonic crystal waveguides and ring-resonator devices; plasmonics — plasmonic waveguides and antennas; and quantum applications — quantum devices and quantum radar. This Primer summarizes the main features of the FDTD method, along with key extensions that enable accurate solutions to be obtained for different research questions. Additionally, hardware considerations are discussed, plus examples of how to extract magnitude and phase data, Brillouin diagrams and scattering parameters from the output of an FDTD model. Furthermore, the Primer ends with a discussion of ongoing challenges and opportunities to further enhance the FDTD method for current and future applications.

42 ENGINEERING↗
DOE OSTI2024

Resilience of the Aurivillius structure upon La and Cr doping in a Bi 5 Ti 3 FeO 15 multiferroic

Here, combining the experimental techniques of high-resolution X-ray diffraction, magnetometry, specific heat measurement, and X-ray photoelectron, Raman and dielectric spectroscopy techniques, we have studied the influence of La and Cr doping on the crystal structure and magnetism of the room temperature Aurivillius multiferroic Bi 5 Ti 3 FeO 15 by investigating the physical properties of (Bi 4 La)Ti 3 FeO 15 and Bi 5 Ti 3 (Fe 0.5 Cr 0.5 )O 15 . The parent (Bi 5 Ti 3 FeO 15 ) and the doped ((Bi 4 La)Ti 3 FeO 15 and Bi 5 Ti 3 (Fe 0.5 Cr 0.5 )O 15 ) compounds crystallize in the A2 1 am space group, which is confirmed through our analysis of high-resolution synchrotron X-ray diffraction data obtained on phase-pure polycrystalline powders. We determined the oxidation states of the metal atoms in the studied compounds as Fe 3+ , Ti 4+ , Cr 3+ , and La 3+ through the analysis of X-ray photoelectron spectroscopy data. The magnetic susceptibilities of the three compounds are marked by the absence of a long-range ordered ground state, but dominated by superparamagnetic clusters with dominant antiferromagnetic interactions. This signature of short-range magnetism is also seen in specific heat as a low temperature enhancement which is suppressed upon the application of external magnetic fields up to 8 T. Our dielectric spectroscopy experiments showed that the three studied compounds display similar features in the dielectric constant measured as a function of frequency. However, upon doping La at the Bi site, the width of the ferroelectric hysteresis loop increases for (Bi 4 La)Ti 3 FeO 15 compared to that of the parent compound Bi 5 Ti 3 FeO 15 , and with Cr doping, Bi 5 Ti 3 (Fe 0.5 Cr 0.5 )O 15 becomes a leaky dielectric. The resilience of the Aurivillius crystal structure towards doping of La at the Bi site and Cr at the Fe site is clearly seen in the bulk properties of magnetic susceptibility, specific heat and the average crystal structure. The relevance of changes in the local structure is evident from our Raman spectroscopy and X-ray pair distribution function studies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

All-epitaxial resonant cavity enhanced long-wave infrared detectors for focal plane arrays

Here, we demonstrate a monolithic all-epitaxial resonant-cavity architecture for long-wave infrared photodetectors with substrate-side illumination. An nBn detector with an ultra-thin (t ≈ 350 nm) absorber layer is integrated into a leaky resonant cavity, formed using semitransparent highly doped (n⁺⁺) epitaxial layers, and aligned to the anti-node of the cavity’s standing wave. The devices are characterized electrically and optically and demonstrate an external quantum efficiency of 25% at T ¼ 180 K in an architecture compatible with focal plane array configurations.

42 ENGINEERING↗
DOE OSTI2025

Adapting C 4 photosynthesis to atmospheric change and increasing productivity by elevating Rubisco content in sorghum and sugarcane

Meta-analyses and theory show that with rising atmospheric [CO 2 ], Rubisco has become the greatest limitation to light-saturated leaf CO 2 assimilation rates (A sat ) in C 4 crops. So would transgenically increasing Rubisco increase A sat and result in increased productivity in the field? Here, we successfully overexpressed the Rubisco small subunit (RbcS) with Rubisco accumulation factor 1 (Raf1) in both sorghum and sugarcane, resulting in significant increases in Rubisco content of 13 to 25% and up to 90% respectively. A sat increased 12 to 15% and Rubisco enzyme activity ~40% in three independent transgenic events of both species. Sorghum plants also showed increased speeds of photosynthetic induction and decreased bundle sheath leakiness. These improvements translated into average increases of 15.5% in biomass in field-grown sorghum and a 37 to 81% increase in greenhouse-grown sugarcane. This suggests a potential opportunity to achieve substantial increases in productivity of this key economically important clade of C 4 crops, future proofing their value under global atmospheric change.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Terahertz bound state in the continuum in dielectric membrane metasurfaces

Mie-resonant metasurfaces composed of subwavelength dielectric resonators enable an efficient route for electromagnetic wave manipulation. Among these manipulations, a localized mode with a high-quality factor coexisting with a continuous spectrum of radiating waves termed bound state in the continuum (BIC) can arouse many exotic applications in photonics. Here, we demonstrate the terahertz BIC in a dielectric membrane metasurface and analyze its resonant nature based on Mie-resonant multipoles and vector spherical harmonics. The intrinsic splitting of the resonances under oblique incidence is also explored, in which the conversion of multipole radiation patterns versus the oblique angle will drive the resonances from BIC to leaky modes or vice versa. Both Γ and off-Γ point BICs could be identified as the superposition cancellation of vector spherical harmonics for both p-wave and s-wave. Our research not only provides a novel perspective for exploring the essence of BIC metasurfaces in the terahertz regime, but also points new opportunities for achieving terahertz BIC metasurfaces with ultra-high quality factors.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Multilayered regulation by RNA thermometers enables precise control of Cas9 expression in E. coli

Cas9-based genome editing technologies can rapidly generate mutations to probe a diverse array of mutant genotypes. However, aberrant Cas9 nuclease translation and activity can occur despite the use of inducible promoters to control expression, leading to extensive cell death. This background killing caused by promoter leakiness severely limits the application of Cas9 for generating mutant libraries because of the potential for population skew. We demonstrate the utility of temperature sensitive RNA elements as a layer of post-transcriptional regulation to reduce the impact of promoter leak. We observe significant temperature-dependent increases in cell survival when certain RNA thermometers (RNATs) are placed upstream of the cas9 coding sequence. We also show that the most highly repressing RNAT, hsp17rep, significantly reduces population skew with a library of characterized guide RNAs in Escherichia coli. This strategy should be applicable to all bacterial Cas9-based methods and technologies.

Kammerdiener, Elise K. [Oak Ridge National Laborat↗
DOE OSTI2020

Engineering sensitivity and specificity of AraC-based biosensors responsive to triacetic acid lactone and orsellinic acid

Abstract We previously described the design of triacetic acid lactone (TAL) biosensor ‘AraC-TAL1’, based on the AraC regulatory protein. Although useful as a tool to screen for enhanced TAL biosynthesis, this variant shows elevated background (leaky) expression, poor sensitivity and relaxed inducer specificity, including responsiveness to orsellinic acid (OA). More sensitive biosensors specific to either TAL or OA can aid in the study and engineering of polyketide synthases that produce these and similar compounds. In this work, we employed a TetA-based dual-selection to isolate new TAL-responsive AraC variants showing reduced background expression and improved TAL sensitivity. To improve TAL specificity, OA was included as a ‘decoy’ ligand during negative selection, resulting in the isolation of a TAL biosensor that is inhibited by OA. Finally, to engineer OA-specific AraC variants, the iterative protein redesign and optimization computational framework was employed, followed by 2 rounds of directed evolution, resulting in a biosensor with 24-fold improved OA/TAL specificity, relative to AraC-TAL1.

Wang, Zhiqing↗
DOE OSTI2025

Gauge-fixing quantum density operators at scale

We provide a theory, algorithms, and simulations of nonequilibrium quantum systems using a one-dimensional (1D) completely positive (CP), matrix-product (MP) density-operator (𝜌) representation. By generalizing the matrix product state's orthogonality center, to additionally store positive classical mixture correlations, the MP⁢𝜌 factorization naturally emerges. In this setting, we analytically and numerically examine the virtual gauge freedoms associated with the representation of quantum density operators. Based on this perspective, we simplify algorithms in certain limits to speed up the integration of the canonical-form master-equation dynamics. This enables us to quickly evolve under the dynamics of two-body quantum channels without resorting to optimization-based methods. In addition to this technical advance, we also scale up numerical examples and discuss implications for accurately modeling hardware architectures and predicting their performance in the near term. This includes an example of the quantum to classical transition of informationally leaky, i.e., decohering, qubits. In this setting, because of loss from environmental interactions, nonlocal complex coherence correlations are converted into global incoherent classical statistical mixture correlations. Lastly, the representation of both global and local correlations is discussed. We expect this work to have applications in additional nonequilibrium settings, beyond qubit engineering.

Gangapuram, Amit Jamadagni [Oak Ridge National Lab↗
DOE OSTI2025

Direct Evidence of Multispecies Hydrodynamics in Ignition-Scale Hohlraums

A targeted experiment at the National Ignition Facility (NIF) confirms the presence of multispecies hydrodynamics in inertial confinement fusion hohlraums relevant to ignition. Here, the effects are identified by filling the gold hohlraum with a deuterium-tritium (DT) gas mixture instead of helium. As the hohlraum is heated by the NIF lasers, it implodes inward, compressing and heating the DT, which leads to fusion. The resulting DT-fusion neutrons are measured in space, time, yield, angle, and energy. A distinct, peaked, triangular shape in the radial neutron emission profile provides evidence of a “leaky piston” effect caused by the interpenetration of DT into the expanding gold. This process reduces the reversibility of DT compression and decreases neutron generation on the temporal trailing edge compared to the leading edge. These results are well described by multispecies hydrodynamics simulations, which reproduce the observed spatial and temporal features, as well as the total neutron yield and angularly resolved energy spectra. In contrast, conventional simulations that use only single-species physics fail to match the experimental data. They overpredict the neutron yield, produce a flatter-than-observed spatial profile, and show excessive emission at late times compared to the experimental measurements.

Higginson, Drew P. [Lawrence Livermore National La↗
DOE OSTI2021

Mitigation of the internal p-n junction in CoS 2 -contacted FeS 2 single crystals: Accessing bulk semiconducting transport

Pyrite FeS 2 is an outstanding candidate for a low-cost, nontoxic, sustainable photovoltaic material, but efficient pyrite-based solar cells are yet to materialize. Recent studies of single crystals have shed much light on this by uncovering a p-type surface inversion layer on n-type (S-vacancy doped) crystals, and the resulting internal p-n junction. This leaky internal junction likely plays a key role in limiting efficiency in pyrite-based photovoltaic devices, also obscuring the true bulk semiconducting transport properties of pyrite crystals. Here, we demonstrate complete mitigation of the internal p-n junction in FeS 2 crystals by fabricating metallic CoS 2 contacts via a process that simultaneously diffuses Co (a shallow donor) into the crystal, the resulting heavy n doping yielding direct Ohmic contact to the interior. Low-temperature bulk transport studies of controllably Co- and S-vacancy doped semiconducting crystals then enable a host of previously inaccessible observations and measurements, including determination of donor activation energies (which are as low as 5 meV for Co), observation of an unexpected second activated transport regime, realization of electron mobility up to 2100 cm 2 V –1 s –1 , elucidation of very different mobilities in Co- and S-vacancy-doped cases, and observation of an abrupt temperaturedependent crossover to bulk Efros-Shklovskii variable-range hopping, accompanied by an unusual form of nonlinear Hall effect. Aspects of the results are interpreted with the aid of first-principles electronic structure calculations on both Co- and S-vacancy-doped FeS 2 . Furthermore, this work thus demonstrates unequivocal mitigation of the internal p-n junction in pyrite single crystals, with important implications for both future fundamental studies and photovoltaic devices

36 MATERIALS SCIENCE↗
DOE OSTI2026

NeuroCoreX: An Open-Source FPGA-Based Spiking Neural Network Emulator with On-Chip Learning

Spiking Neural Networks (SNNs) are computational models inspired by the event-driven communication and connectivity patterns of biological neural circuits. They enable high energy efficiency and natural support for diverse architectures ranging from layered networks to small-world and graphstructured topologies. In this work, we introduce NeuroCoreX, an open-source, FPGA-based spiking neural network emulator that provides real-time, on-chip learning and flexible network organization. NeuroCoreX supports both feedforward sensory inputs streamed directly from sensors or PCs via UART and recurrent on-chip connectivity, enabling simultaneous processing and learning from external stimuli and internal network dynamics-capabilities rarely available in existing FPGA SNN platforms. The system implements a Leaky Integrate-and-Fire (LIF) neuron model with current-based synapses and supports pair-based STDP learning on both feedforward and recurrent synapses. A lightweight Python interface enables interactive configuration, live monitoring, weight read-back, and experiment control. Importantly, NeuroCoreX is tightly integrated with the SuperNeuroMAT simulator, allowing SNN models to be transferred seamlessly from software to hardware for hardware-in-the-loop development. By combining real-time plasticity, flexible connectivity, and an open-source VHDL implementation, NeuroCoreX provides an extensible and accessible platform for neuromorphic research, algorithm-hardware co-design, and energy-efficient edge intelligence.

Gautam, Ashish [ORNL]↗
DOE OSTI2020

In-situ Microscopy Characterization of Cu(In,Ga)Se2 Potential-Induced Degradation

We report on the role of sodium in potentialinduced degradation (PID) of Cu(In, Ga)Se 2 (CIGS) solar cells. In-situ microscopy characterizations on AFM platform were performed on two stressed CIGS device under room temperature (RT) and high temperature (HT) at 85 degrees C. During PID stressing we observed depletion region gets wider as Na migrates, p-n junction becomes leaky at RT for over a month; and similar junction evolution was observed for HT-stressed sample, eventually the junction collapsed after 18 hours. The diode behaviors were confirmed by dark I-V measurement. Time-of Flight secondary-ion mass spectrometry reveals that the Na accumulates on ZnO and CdS side, as well as the upper layer of CIGS layer. The results indicate that Na drifted by the voltage applied on the soda-lime glass, then diffuse through the whole device. And the sodium profiles have different points of evolution due to the temperature differences between the two stressed samples. The consistent results unambiguously show how Na from substrate glass causes PID in CIGS solar cells.

14 SOLAR ENERGY↗
DOE OSTI2026

A Unidirectional Two-Compartment Neuron Circuit with On-chip STDP learning

Most neuromorphic chips implement the single-compartment point neuron model where synapse circuits connect directly to a leaky integrate and fire (LIF) soma circuit. However, when using a biologically plausible soma circuit (e.g., Hodgkin-Huxley neuron model), an interface circuitry, such as a current conveyor circuit, is needed to transmit synaptic current to the soma circuit. This is especially true for ultra-low power neuron circuits, where membrane capacitance is on the order of 20 fF. This need for an interface circuit arises because the parasitic capacitance and leakage current caused by fabrication mismatch and second-order effects of the output transistors in the synapse circuits can disturb the spiking dynamics of the soma circuit if connected without an interface. Using an interface circuit to isolate the soma’s membrane capacitor from synapses resolves this issue. We propose to use a unidirectional resistor (a transconductance circuit) to connect the synapse and soma circuits instead of conventional current conveyor circuits. Using a biologically plausible spike pattern detection model, we show that the on-chip spike-timing-dependent plasticity (STDP) learning performance of the proposed unidirectional two-compartment neuron circuit is similar to a single-compartment circuit (with a current conveyor as an interface) and additionally, it is more power-efficient and biologically plausible. The chip is fabricated in the Taiwan Semiconductor Manufacturing Company (TSMC) 250 nm technology node and comprises a single neuron circuit.

Gautam, Ashish [ORNL]↗
DOE OSTI2023

SALSA_python (SALSython) v1

SALSA_python (Semi-Analytical Leakage Solutions for Aquifers) is a software that computed semi-analytical solutions for hydraulic head and brine leakage in multilayered aquifer–aquitard systems with geologic pressure forcing. It can simulate brine leakage into aquifers in a multi-aquifer-aquitard system with multiple injection and leaky wells. This situation is encountered in underground CO2 storage wherein brine leakage from pressurized reservoirs into aquifers is of concern. SALSA_python calls the original SALSA[1] subroutines in python by using the salsa2.so library. This enables the incorporation and coupling of SALSA computations into existing python-based codes and tools. SALSA_python is available for Linux and Mac operating systems. [1] Cihan, A., Oldenburg, C. M., & Birkholzer, J. T. (2022). Leakage from coexisting geologic forcing and injection-induced pressurization: A semi-analytical solution for multilayered aquifers with multiple wells. Water Resources Research, 58, e2022WR032343.

Bhuvankar, Pramod↗
DOE OSTI2024

Zero-crosstalk silicon photonic refractive index sensor with subwavelength gratings

Abstract Silicon photonic index sensors have received significant attention for label-free bio and gas-sensing applications, offering cost-effective and scalable solutions. Here, we introduce an ultra-compact silicon photonic refractive index sensor that leverages zero-crosstalk singularity responses enabled by subwavelength gratings. The subwavelength gratings are precisely engineered to achieve an anisotropic perturbation-led zero-crosstalk, resulting in a single transmission dip singularity in the spectrum that is independent of device length. The sensor is optimized for the transverse magnetic mode operation, where the subwavelength gratings are arranged perpendicular to the propagation direction to support a leaky-like mode and maximize the evanescent field interaction with the analyte space. Experimental results demonstrate a high wavelength sensitivity of − 410 nm/RIU and an intensity sensitivity of 395 dB/RIU, with a compact device footprint of approximately 82.8 μm 2 . Distinct from other resonant and interferometric sensors, our approach provides an FSR-free single-dip spectral response on a small device footprint, overcoming common challenges faced by traditional sensors, such as signal/phase ambiguity, sensitivity fading, limited detection range, and the necessity for large device footprints. This makes our sensor ideal for simplified intensity interrogation. The proposed sensor holds promise for a range of on-chip refractive index sensing applications, from gas to biochemical detection, representing a significant step towards efficient and miniaturized photonic sensing solutions. Graphical Abstract

Materials Science↗
DOE OSTI2021

Photosynethic Performance Measurements in Biomass Sorghum Varietals in Central Illinois during Four Growing Seasons.

In a set of field studies across four years, the effect of self-shading on photosynthetic performance in lower canopy sorghum leaves was studied at sites in Champaign County, IL. Photosynthetic parameters in upper and lower canopy leaves, carbon assimilation, electron transport, stomatal conductance, and activity of three C4-specific photosynthetic enzymes, were compared within a genetically diverse range of accessions varying widely in canopy architecture and thereby in the degree of self-shading. Accessions with erect leaves and high light transmission through the canopy are henceforth referred to as ‘erectophile’ and those with low leaf erectness, ‘planophile’. In the final year of the study, bundle sheath leakiness in erectophile and planophile accessions was also compared.

Leaf Inclination↗