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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 235 records · Page 13

Metal-to-Ligand Charge-Transfer Spectrum of a Ru-Bipyridine-Sensitized TiO 2 Cluster from Embedded Multiconfigurational Excited-State Theory

Understanding optical properties of the dye molecule in dye-sensitized solar cells (DSSCs) from first-principles quantum mechanics can contribute to improving the efficiency of such devices. While density functional theory (DFT) and time-dependent DFT have been pivotal in simulating optoelectronic properties of photoanodes used in DSSCs at the atomic scale, questions remain regarding DFT’s adequacy and accuracy to furnish critical information needed to understand the various excited-state processes involved. In this work, we simulate the absorption spectra of a dye-sensitized solar cell analogue, comprised of a Ru-bipyridine (Ru-bpy) dye molecule and a small TiO2 cluster via DFT and via an accurate embedded correlated wavefunction (CW) theory. We generated CW spectra for the adsorbed Ru-bpy dye via a recently introduced capped density functional embedding theory or capped-DFET (to generate the embedding potential that accounts for the interaction of the molecule and the TiO 2 cluster). We then combined capped-DFET with the accurate but expensive multiconfigurational complete active space second-order perturbation theory (CASPT2)—embedded CASPT2. Because the CW theory is conducted on only a portion of the total system in the presence of an embedding potential that describes that portion’s interaction with its environment, we efficiently obtain CW-quality predictions that reflect local properties of the entire system. Specifically, for example, with capped-DFET and embedded CW theory, we can simulate accurately a plethora of metal-to-ligand charge-transfer excited properties at a manageable computational cost. Here, we predict detailed electronic spectra within the visible region, featuring the lowest three singlet and triplet excited states, along with predictions of the singlets’ lifetimes. We illustrated these results using a Jablonski diagram that show the relative energy position of the singlet and longer-lived triplet excited states and analyzed and proposed relaxation paths for the excited state corresponding to the most intense but short-lived absorption (interconversion, intersystem crossing, fluorescence, and phosphorescence) that may lead to longer-lived excited states necessary for efficient charge separation required to generate current in solar cells.

14 SOLAR ENERGY↗

Radiation dosimetry using three-dimensional optical random access memories

Three-dimensional optical random access memories (3D ORAMs) are a new generation of high-density data storage devices. Binary information is stored and retrieved via a light induced reversible transformation of an ensemble of bistable photochromic molecules embedded in a polymer matrix. This paper describes the application of 3D ORAM materials to radiation dosimetry. It is shown both theoretically and experimentally, that ionizing radiation in the form of heavy charged particles is capable of changing the information originally stored on the ORAM material. The magnitude and spatial distribution of these changes are used as a measure of the absorbed dose, particle type and energy. The effects of exposure on 3D ORAM materials have been investigated for a variety of particle types and energies, including protons, alpha particles and 12C ions. The exposed materials are observed to fluoresce when exposed to laser light. The intensity and the depth of the fluorescence is dependent on the type and energy of the particle to which the materials were exposed. It is shown that these effects can be modeled using Monte Carlo calculations. The model provides a better understanding of the properties of these materials. which should prove useful for developing systems for charged particle and neutron dosimetry/detector applications. c2001 Published by Elsevier Science B.V.

Non-NASA Center↗

Infrared response from metallic particles embedded in a single-crystal Si matrix - The layered internal photoemission sensor

Infrared radiation at wavelengths of 1-2 microns has been detected in a new device labeled the layered internal photoemission sensor. The device structure, which is grown by molecular beam epitaxy, incorporates epitaxial CoSi2 particles with dimensions of 10-50 nm. Radiation absorbed by these particles photoexcites carriers into a surrounding single-crystal silicon matrix. A peak quantum efficiency of 1.3 percent is measured, which is approximately six times higher than in planar CoSi2 Schottky diodes with 5-nm silicide thickness.

Fathauer, R. W.↗

Algorithm for astronomical, extended source, signal-to-noise radio calculations

An algorithm was developed to simulate the expected signal-to-noise ratio as a function of observation time in the charge coupled device detector plane of an optical telescope located outside the Earth's atmosphere for an extended, uniform astronomical source embedded in a uniform cosmic background. By choosing the appropriate input values, the expected extended source signal-to-noise ratios can be computed for the Hubble Space Telescope using the Wide Field/Planetary Camera science instrument.

Jayroe, R. R.↗

Electric Drive Technologies Consortium (EDTC)/ Cost competitive, high-Performance, highly Reliable (CPR) Power Devices on 4H-SiC (Final Report)

4H-Silicon carbide (4H-SiC) is a wide bandgap semiconductor that offers superior material properties over silicon, including higher critical electric field, thermal conductivity, and electron saturation velocity. These advantages make 4H-SiC highly attractive for high-voltage, high-efficiency power electronics. However, realizing the full potential of SiC requires device technologies that are not only high-performing but also manufacturable and reliable under real-world operating conditions. This report summarizes the outcomes of a five-year R&D effort funded by the U.S. Department of Energy (DOE) under the Electric Drive Technologies Consortium (EDTC), focused on developing cost-competitive, high-performance, and highly reliable (CPR) power devices on 4H-SiC substrates. The program targeted scalable and manufacturable 1.2 kV-class SiC MOSFETs optimized for next-generation electric vehicles, renewable energy systems, and industrial power conversion. The project delivered transformative advancements in SiC power device performance and ruggedness. Particularly, Specific on-resistance (R on,sp ) was reduced by up to 37%, from ~4.0 m$\Omega \cdot$cm 2 in earlier designs to an industry-leading 2.40 m$\Omega \cdot$cm 2 , driven by optimized doping, refined JFET widths, and layout engineering. Breakdown voltages (BV) exceeded 1600 V, marking improvement over legacy baselines, and demonstrating the robustness of newly implemented junction profiles and edge terminations. Short-circuit withstand time (SCWT) saw a remarkable 4$\times$ increase, from ~2 $\mu$s to over 8 $\mu$s, achieved through the successful deployment of deep P-well structures (~1.8–2.0 $\mu$m) via channeling implantation. This innovative process breakthrough enabled precise junction formation without MeV-class implantation tools, reduced leakage under high field stress, and allowed even the shortest-channel devices (down to 0.3 $\mu$m) to achieve both high BV and excellent ruggedness—breaking the traditional trade-off between conduction efficiency and blocking capability. Several novel architectures pushed the performance envelope further. JBSFETs—featuring embedded Schottky portions—eliminated bipolar degradation and drastically reduced third-quadrant leakage, while Ladder MOSFETs introduced a clever orthogonal conduction path that achieved a 15.4% reduction in R on,sp over standard linear designs. Switching performance reached new benchmarks: short-channel devices showed a 31% reduction in total switching energy compared to 0.5 $\mu$m counterparts, while maintaining manageable gate drive requirements. Layout-optimized structures not only improved transconductance but also accelerated switching transitions, pointing to real-world benefits in converter-level efficiency. The devices also passed rigorous reliability validation. Stress-tested across TDDB, HTGB, HTRB, HVP, and burn-in, the devices screened under 30 V/10 hr and 43 V/1 s protocols consistently exhibited tighter lifetime distributions and long-term oxide robustness. These screening techniques proved effective in identifying latent defects and ensuring deployment-grade reliability. Meanwhile, advanced 3D TCAD simulations revealed and resolved electric field hotspots—particularly in HEXFET corners—where fields exceeding 4.8 MV/cm were mitigated through geometry-aware layout corrections. Overall, the results of this project demonstrate a manufacturable and scalable SiC power device platform that addresses key DOE performance targets for efficient, robust, and reliable 1.2kV 4H-SiC Power Devices. The developed technologies represent a meaningful step forward in the commercial readiness of high-voltage SiC solutions and provide a strong foundation for continued advancement in wide bandgap power electronics.

42 ENGINEERING↗

Learned adaptive properties for mitigation of weight perturbations in embedded spiking networks

Recent years have seen an increased importance of neural network inference in edge-based scenarios, which impose size and power constraints requiring novel computing devices. These same edge scenarios may require operating over long periods of time, or exposure to extreme environments, resulting in a drift of neural network weights that cause degraded performance. In searching for ways to develop neural network approaches that perform robustly under these conditions, we propose a biologically-inspired mechanism for the dynamic adaptation of within-neuron parameters that is guided by a global context signal carrying information about perturbations and variability in incoming stimuli. Specifically, we demonstrate that adaptive voltage thresholds or neuronal time constants, when informed by a global context signal, can enable network-level mechanisms to recover from perturbed synaptic weights. Consistent with prior literature, the context-modulated approach is effective for recurrent, but not feedforward networks, by modulating network level dynamics. We demonstrate this approach successfully recovers performance in image classification tasks and spatiotemporal tracking tasks under idealized and Gaussian noise as well as for realistic perturbations from a memristive device when exposed to ionizing radiation. Finally, we discuss how this approach enables the design of robust and energy-efficient neuromorphic systems that perform well, even in resource-constrained scenarios with extreme environments such as edge processing.

context modulation↗

Electrostatic Gating of Ionic Conductance through Heterogeneous van der Waals Nanopores

Nanofluidic ionic transistors typically require gate voltages above 1 V and operate only at submillimolar ionic strengths, limiting their biocompatible applications. We demonstrate ionic transistors consisting of single sub-10 nm nanopores drilled in van der Waals (vdW) heterostructures with internal gate electrodes made of few-layer graphene. These devices deliver up to 10-fold current modulation at gate voltages as low as 0.3 V in 10 mM KCl, and ∼2-fold modulation at near-physiological 100 mM KCl. Baseline conductance with no gate shows surface-charge-dominated transport below 100 mM KCl, consistent with negatively charged hBN walls and ∼5 nm opening of the pores. The surface charge and the electrochemical asymmetry introduced by the three-electrode configuration govern the device’s behavior: negative gate voltage (V G ) enriches ionic concentrations and enhances current, whereas positive V G induces a local depletion zone that suppresses transport. The current modulation by V G is dependent on the polarity of the transmembrane potential and leads to ion current rectification. Molecular dynamics simulations of a nanopore in a hBN–graphene–hBN stack reveal confinement and surface charge-dependent suppression of the relative permittivity of interfacial water. Continuum modeling with radially varying interfacial water permittivity reproduces the asymmetric I–V characteristics and explains how the embedded gate sculpts local potential and ion concentrations. By enabling sub-0.5 V control of ionic transport at up to 100 mM salt concentrations, these devices address a key need in nanofluidics to create low-power ionic circuits and biosensing.

Materials science↗

Singularity classification as a design tool for multiblock grids

A major stumbling block in interactive design of 3-D multiblock grids is the difficulty of visualizing the design as a whole. One way to make this visualization task easier is to focus, at least in early design stages, on an aspect of the grid which is inherently easy to present graphically, and to conceptualize mentally, namely the nature and location of singularities in the grid. The topological behavior of a multiblock grid design is determined by what happens at its edges and vertices. Only a few of these are in any way exceptional. The exceptional behaviors lie along a singularity graph, which is a 1-D construct embedded in 3-D space. The varieties of singular behavior are limited enough to make useful symbology on a graphics device possible. Furthermore, some forms of block design manipulation that appear appropriate to the early conceptual-modeling phase can be accomplished on this level of abstraction. An overview of a proposed singularity classification scheme and selected examples of corresponding manipulation techniques is presented.

Jones, Alan K.↗

Advanced Embedded Active Assemblies for Extreme Space Applications

This work describes the development and evaluation of advanced technologies for the integration of electronic die within membrane polymers. Specifically, investigators thinned silicon die, electrically connecting them with circuits on flexible liquid crystal polymer (LCP), using gold thermo-compression flip chip bonding, and embedding them within the material. Daisy chain LCP assemblies were thermal cycled from -135 to +85degC (Mars surface conditions for motor control electronics). The LCP assembly method was further utilized to embed an operational amplifier designed for operation within the Mars surface ambient. The embedded op-amp assembly was evaluated with respect to the influence of temperature on the operational characteristics of the device. Applications for this technology range from multifunctional, large area, flexible membrane structures to small-scale, flexible circuits that can be fit into tight spaces for flex to fit applications.

lead bonding↗

Laser-driven, ion-scale magnetospheres in laboratory plasmas. I. Experimental platform and first results

We report magnetospheres are a ubiquitous feature of magnetized bodies embedded in a plasma flow. While large planetary magnetospheres have been studied for decades by spacecraft, ion-scale “mini” magnetospheres can provide a unique environment to study kinetic-scale, collisionless plasma physics in the laboratory to help validate models of larger systems. In this work, we present preliminary experiments of ion-scale magnetospheres performed on a unique high-repetition-rate platform developed for the Large Plasma Device at the University of California, Los Angeles. The experiments utilize a high-repetition-rate laser to drive a fast plasma flow into a pulsed dipole magnetic field embedded in a uniform magnetized background plasma. 2D maps of the magnetic field with high spatial and temporal resolution are measured with magnetic flux probes to examine the evolution of magnetosphere and current density structures for a range of dipole and upstream parameters. The results are further compared to 2D particle-in-cell simulations to identify key observational signatures of the kinetic-scale structures and dynamics of the laser-driven plasma. We find that distinct 2D kinetic-scale magnetopause and diamagnetic current structures are formed at higher dipole moments, and their locations are consistent with predictions based on pressure balances and energy conservation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Self-Assembled TiN-Metal Nanocomposites Integrated on Flexible Mica Substrates towards Flexible Devices

The integration of nanocomposite thin films with combined multifunctionalities on flexible substrates is desired for flexible device design and applications. For example, combined plasmonic and magnetic properties could lead to unique optical switchable magnetic devices and sensors. In this work, a multiphase TiN-Au-Ni nanocomposite system with core–shell-like Au-Ni nanopillars embedded in a TiN matrix has been demonstrated on flexible mica substrates. The three-phase nanocomposite film has been compared with its single metal nanocomposite counterparts, i.e., TiN-Au and TiN-Ni. Magnetic measurement results suggest that both TiN-Au-Ni/mica and TiN-Ni/mica present room-temperature ferromagnetic property. Tunable plasmonic property has been achieved by varying the metallic component of the nanocomposite films. The cyclic bending test was performed to verify the property reliability of the flexible nanocomposite thin films upon bending. This work opens a new path for integrating complex nitride-based nanocomposite designs on mica towards multifunctional flexible nanodevice applications.

42 ENGINEERING↗

Smart sensor for online situational awareness in power grids

Waveforms in power grids typically reveal a certain pattern with specific features and peculiarities driven by the system operating conditions, internal and external uncertainties, etc. This prompts an observation of different types of waveforms at the measurement points (substations). An innovative next-generation smart sensor technology includes a measurement unit embedded with sophisticated analytics for power grid online surveillance and situational awareness. The smart sensor brings additional levels of smartness into the existing phasor measurement units (PMUs) and intelligent electronic devices (IEDs). It unlocks the full potential of advanced signal processing and machine learning for online power grid monitoring in a distributed paradigm. Within the smart sensor are several interconnected units for signal acquisition, feature extraction, machine learning-based event detection, and a suite of multiple measurement algorithms where the best-fit algorithm is selected in real-time based on the detected operating condition. Embedding such analytics within the sensors and closer to where the data is generated, the distributed intelligence mechanism mitigates the potential risks to communication failures and latencies, as well as malicious cyber threats, which would otherwise compromise the trustworthiness of the end-use applications in distant control centers. The smart sensor achieves a promising classification accuracy on multiple classes of prevailing conditions in the power grid and accordingly improves the measurement quality across the power grid.

Dehghanian, Payman↗

Port Impedance Measurement and Current Injection Response Analysis for PLCs

Programmable Logic Controllers (PLCs) are used to control devices throughout the power system since they have fast control capabilities and can utilize multiple types of communication interfaces. Therefore, studying and mitigating their vulnerabilities to electromagnetic pulse is important for the reliability of PLC operations. Here, in this paper, an effective impedance measurement scheme is proposed and demonstrated for three PLCs to estimate their susceptibility to an electromagnetic pulse. The equivalent non-uniform transmission line model is established to eliminate the impact of the fixture in the de-embedding process. Then different parameters of the impedance measurement setup are explored. Based on the measured impedance, the equivalent circuit is established to calculate the response of the device when subjected to the electromagnetic pulse. The voltage and current responses of different interfaces are compared utilizing the developed pulsed Current Injection (CI) method. Finally, the impedance measurement scheme is verified through testing using three measuring instruments. And the CI simulation experiments reveal the characteristics and susceptibilities of different PLCs interfaces, indicating that some protection measures are required for the reliable operation of the PLC.

42 ENGINEERING↗

Unidirectional microwave transduction with chirality selected short-wavelength magnon excitations

Nonreciprocal magnon propagation has recently become a highly potential approach of developing chip-embedded microwave isolators for advanced information processing. However, it is challenging to achieve large nonreciprocity in miniaturized magnetic thin-film devices because of the difficulty of distinguishing propagating surface spin waves along the opposite directions when the film thickness is small. In this work, we experimentally realize unidirectional microwave transduction with sub-micrometer-wavelength propagating magnons in a yttrium iron garnet (YIG) thin-film delay line. We achieve a non-decaying isolation of 30 dB with a broad field-tunable bandpass frequency range up to 14 GHz. The large isolation is due to the selection of chiral magnetostatic surface spin waves with the Oersted field generated from the coplanar waveguide antenna. Increasing the geometry ratio between the antenna width and YIG thickness drastically reduces the nonreciprocity and introduces additional magnon transmission bands. Furthermore, our results pave the way for on-chip microwave isolation and tunable delay line with short-wavelength magnonic excitations.

36 MATERIALS SCIENCE↗

Hardware platforms for MEMS gyroscope tuning based on evolutionary computation using open-loop and closed -loop frequency response

We propose a tuning method for MEMS gyroscopes based on evolutionary computation to efficiently increase the sensitivity of MEMS gyroscopes through tuning. The tuning method was tested for the second generation JPL/Boeing Post-resonator MEMS gyroscope using the measurement of the frequency response of the MEMS device in open-loop operation. We also report on the development of a hardware platform for integrated tuning and closed loop operation of MEMS gyroscopes. The control of this device is implemented through a digital design on a Field Programmable Gate Array (FPGA). The hardware platform easily transitions to an embedded solution that allows for the miniaturization of the system to a single chip.

evolvable hardware↗

An all-silicon single-wafer micro-g accelerometer with a combined surface and bulk micromachining process

This paper reports an all-silicon fully symmetrical z-axis micro-g accelerometer that is fabricated on a single-silicon wafer using a combined surface and bulk fabrication process. The microaccelerometer has high device sensitivity, low noise, and low/controllable damping that are the key factors for attaining micro g and sub-micro g resolution in capacitive accelerometers. The microfabrication process produces a large proof mass by using the whole wafer thickness and a large sense capacitance by utilizing a thin sacrificial layer. The sense/feedback electrodes are formed by a deposited 2-3 microns polysilicon film with embedded 25-35 microns-thick vertical stiffeners. These electrodes, while thin, are made very stiff by the thick embedded stiffeners so that force rebalancing of the proof mass becomes possible. The polysilicon electrodes are patterned to create damping holes. The microaccelerometers are batch-fabricated, packaged, and tested successfully. A device with a 2-mm x 1-mm proof mass and a full bridge support has a measured sensitivity of 2 pF/g. The measured sensitivity of a 4-mm x 1-mm accelerometer with a cantilever support is 19.4 pF/g. The calculated noise floor of these devices at atmosphere are 0.23 micro g/sqrt(Hz) and 0.16 micro g/sqrt(Hz), respectively.

Non-NASA Center↗