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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Modeling a High-Temperature Electrochemically Driven Water-Gas-Shift Process Using a Mixed-Conducting Membrane without External Electrical Power

This paper develops a model to predict and interpret the performance of an elevated-temperature, electrochemical, membrane-assisted, water-gas-shift process. The process uses separated feed streams of H 2 O and CO to produce separated streams of H 2 and CO 2 , without an external electrical power source. The dense ceramic membrane is mixed ionic-electronic-conducting (MIEC) gadolinium-doped ceria (GDC) and the porous composite electrodes are Ni-YSZ. At elevated temperature, GDC conducts both oxygen ions and small polarons. The present process uses chemical potential to drive the process. Electrochemical oxidation of CO proceeds within the composite anode and H 2 O reduction proceeds within the composite cathode. At high temperature (e.g., T > 700 °C), GDC has significant electronic leakage in the form of a reduced-cerium small polaron, which supports the charge-transfer reactions. In a typical electrolyzer or fuel cell, this leakage is significantly problematic. However, the present process depends on the leakage current to complete the electrochemical circuit. Model development and validation is based on measured material properties and reactor performance. Potential applications include using CO-rich blast-furnace off gases in steel processing, producing separated streams of H 2 and CO 2 .

Zhu, Huayang↗
DOE OSTI2025

How non-ohmic contact-layer diodes in perovskite pinholes affect abrupt low-voltage reverse-bias breakdown and destruction of solar cells

Perovskite solar cells (PSCs) rapidly degrade under reverse bias, a condition that may occur during partial shading. Here, in this study, we use electrical measurements, electron microscopy, and optical and thermal imaging to investigate abrupt breakdown and hotspotting under low reverse potentials (<|-2| V). We show that microscopic pinholes in the perovskite layer cause rapid, destructive breakdown under reverse bias despite minimally reducing power conversion efficiencies. Measurements on miniature (200-micrometer diameter) PSCs and perovskite-free transport-layer diodes indicate that abrupt, low-voltage breakdown occurs in nanoscale to micrometer-scale defects and that metal migration and filamentation are unlikely causes. Reverse-bias stability substantially improves when pinholes in the perovskite and transport layers are eliminated. Atomic layer deposition of tin oxide prevents abrupt breakdown by ensuring physical separation between electrodes-not by blocking metal ion migration. Perovskite researchers should adopt cleaner, more uniform deposition techniques to enable robust PSCs for further research and commercial applications.

14 SOLAR ENERGY↗
DOE OSTI2025

Light-Matter Interaction in Ultrastable Tunneling Nanogaps

Light emission and detection through tunnel junctions have emerged as a promising platform for studying nanoscale light–matter interactions, including electroluminescence and photoassisted transport. However, controlling these interactions in the tunneling regime has been challenging due to complex underlying mechanisms that remain poorly understood. A major obstacle is the difficulty in forming stable junctions that can function reliably over extended periods. In this study, we fabricate ultrastable tunneling junctions consisting of epitaxial indium–tin-oxide, epitaxial lutetium oxide, and gold. With their stable and consistent tunneling currents, we investigate photon-assisted transport phenomena using simple direct-current detection. Our results demonstrate that optical rectification is the primary contributor to the laser-induced current, alongside thermal effects and hot-electron currents. Furthermore, owing to their epitaxial nature and high breakdown threshold, this ultrastable platform holds promise for future real-world applications, including nanoscale light sources and multifunctional photodetectors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Elucidating Sodium-Sulfur Battery Chemistry using Operando Transmission X-ray Microscopy and X-ray Absorption Spectroscopy

Room-temperature sodium-sulfur (Na-S) batteries offer a beneficial and cost-effective solution for powering modern electric grids and devices. However, Na-S batteries suffer from performance decay during battery cycling due to the sluggish kinetics and polysulfide shuttling. Revealing the conversion mechanism of the Na-S chemistry is critical to designing high-capacity and stable Na-S batteries. In this study, we employed operando X-ray microscopy and operando X-ray absorption spectroscopy to elucidate the sulfur conversion in a carbon host using an ether-based electrolyte. We reveal the structural and chemical evolution of the sulfur cathode during cycling, which results in volume expansion and the dissolution of active material, ultimately affecting the battery performance. Our work provides fundamental insight into the sulfur reaction scheme, addressing the lingering challenges before establishing inexpensive Na-S batteries for broad applications, including portable electronics and large-scale energy storage.

Jagadeesan, Sathya Narayanan [SLAC National Accele↗
DOE OSTI2021

Understanding the electron-water interaction at the molecular level: Integrating theory and experiment in the cluster regime

In this final technical report, we summarize our major accomplishments resulting from a combined experimental-theoretical approach that exploits the unique properties of molecular clusters to elucidate how local interactions at the molecular level drive the macroscopic behavior of materials and chemical transformations in liquids. The specific targets for our efforts have need to elucidate how charged entities are accommodated by hydrogen-bonding networks and to establish how the behavior of room temperature ionic liquids can be tailored for specific chemical applications. Because of their central importance in aqueous electrolyte chemistry, we have placed particular emphasis understanding the accommodation of excess electrons and protons by water. These surprisingly complex fundamental electrical charges play a fundamental role in a wide range of chemical and biological processes, and yet even a qualitative picture of their speciation in water and at the air-water interface has proven elusive. The main experimental diagnostic in our approach is to measure and analyze vibrational spectra of temperature and composition controlled molecular aggregates that isolate and amplify the spectral markers for local interactions that are often obscured in measurement on bulk or interfacial water. Our combined experimental-theoretical program has led to a greatly enhanced understanding of the nature of excess electrons and protons in water and in the process developed new and powerful methods of chemical analysis that are currently in use across the chemical sciences.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Microbunch rotation in an x-ray free-electron laser using a first-order achromatic bend

Electrons in an x-ray free electron laser (XFEL) develop periodic density fluctuations, known as microbunches, which enable the exponential gain of x-ray power in an XFEL. When an electron beam microbunched at a hard x-ray wavelength is kicked, microbunches are often washed out due to the dispersion and R 56 of the bend. An achromatic (dispersion-free) bend with a small R 56 , however, can preserve microbunches, which rotate to follow the new trajectory of the electron bunch. Rotated microbunches can subsequently interact in a repointed undulator to produce a new beam of off-axis x rays. In this work, we demonstrate hard x-ray multiplexing in the Linac Coherent Light Source hard x-ray undulator line using microbunch rotation through a 10 μ rad first-order-achromatic bend created by transversely offsetting quadrupole magnets in the FODO lattice. Quadrupole offsets are determined analytically from beam-matrix theory. We also discuss the application of microbunch rotation to out-coupling a cavity-based XFEL. Published by the American Physical Society 2024

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

Collaborative R&D with REEL Solar Inc (REEL) to Understand and Overcome Performance Limitations in CdTe Solar Cells: Cooperative Research and Development (Final Report)

This CRADA will focus on processing, advanced characterization, and testing of photovoltaic materials and devices to understand and improve REEL CdTe solar technology. This will include examining process variations and different buffer, absorber, and contact layers from REEL and NLR to maximize performance. The unique and diverse advanced characterization tools at NLR, such as time-resolved photoluminescence, capacitance-voltage measurements, electron beam scattered diffraction, cathodoluminescence, electron microscopy, TOF-SIMS, and other measurements will be applied to characterize REEL processing to improve understanding and guide experimental directions. Accelerated stability and potential induced degradation tests will be used to analyze metastability, short-and-long term degradation, and improve bankability. A second and major thrust this period will be joint development of Si/CdTe tandem solar cells to overcome industry wide terrestrial solar efficiency limits with the two lowest cost and manufacturable solar materials today. This will include developing novel transparent back contacts that can be incorporated into tandem structures and other novel solar applications, detailed analysis of designs and configurations for CdTe/Si tandem modules, and prototyping REEL CdTe Technology with Si bottom cells in tandem structures.

14 SOLAR ENERGY↗
DOE OSTI2022

Use of Machine Learning on PMU Data for Transmission System Fault Analysis

Synchrophasor technology has been used for monitoring, control, and protection of bulk power system for over 10 years. Deployment of phasor measurement units (PMUs) in the USA power system has surpassed 3000 units installed in the transmission substations as stand-alone intelligent electronic devices (IEDs) or as a software add-on to other devices such as digital protective relays (DPRs) or digital fault recorders (DFRs). By now, thousands of terabytes of PMU data may have been captured and stored by various transmission system operators (TSOs) and independent system operators (ISOs). This creates an opportunity to deploy advanced machine learning (ML) techniques to detect and classify faults recorded by PMUs automatically to be used by the system operators for rapid, critical decision-making when manual analysis of the past or unfolding events is not feasible. In this paper we offer a brief background on how the automated fault analysis may be done using DPR and/or DFR data, and compare some of the legacy approaches to the new ML approaches in the context of the system-wide PMU recordings. We then offer insights from developing practical ML solutions that have been applied on field recordings captured by close to 450 PMUs from all three US interconnections (Western, Eastern and ERCOT) over two years (2016-2017). We identify and illustrate ML challenges we addressed: inaccurate data, data with scarce and temporally imprecise fault labels, data recorded by PMUs sparsely located at substations resulting in the fault records taken afar from the ends of the faulted lines, data containing only positive sequence values, and data taken at different voltage levels. We then illustrate the ML model results for fault analysis under different application scenarios. The novelty of this study is not only in the design, implementation, and performance analysis of the ML algorithms, but also in the use of advanced fault modelling and simulation approaches to improve the training results when developing supervised ML models for fault detection and classification. Extensive simulations of faults were conducted on a 14-bus power system to create a training dataset with over 1400 accurately labelled faults. This dataset was applied to enhance the accuracy of fault detection and classification of machine learning-based models trained with small number of labelled faults in large datasets recorded in the grid interconnections ranging from 5,000 to 70,000 buses.

Synchrophasors, Machine Learning, Fault Analysis, ↗
DOE OSTI2024

Wavelength scaling and multicolor operation of a plasma-driven attosecond x-ray source via harmonic generation

The generation of high-power coherent soft x-ray pulses of sub-100 as duration and 10 nm wavelength using beams from a GeV energy plasma wakefield accelerator has been recently investigated in Emma []. As a future upgrade to this concept, this contribution investigates scaling to shorter x-ray wavelengths by cascading undulators tuned to higher harmonics of the fundamental. We present two simulation studies for plasma-driven attosecond harmonic generation schemes with final photon wavelengths of 2 and 0.40 nm. We demonstrate in these schemes that using undulators with retuned fundamental frequencies can produce GW-scale pulses of sub-nm radiation with tens of attosecond-scale pulse lengths, an order of magnitude shorter than current state-of-the-art attosecond x-ray free electron lasers (XFELs). This multipulse multicolor operation will be broadly applicable to attosecond pump-probe experiments. Published by the American Physical Society 2024

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Optimizing spectral phase transfer in four-wave mixing with gas-filled capillaries

Four-wave mixing (FWM) in gas-filled hollow-core capillaries, a nonlinear optical process that mixes signal and pump photon frequencies to generate idler frequency photons, offers a method for precise spectral phase transfer from signal to idler at ultrashort timescales and extreme powers. However, this regime is challenged by competing linear and nonlinear dynamics, leading to significant trade-offs between spectral phase transfer and conversion efficiency. Our computational investigation focuses on the upconversion of femtosecond pulses from the infrared (IR) to the ultraviolet (UV), a range notoriously difficult to manipulate. We explore an intermediate energy regime that strikes an optimal balance between FWM-mediated phase-transfer fidelity and nonlinear conversion efficiency. By adjusting the energy ratios and spectral phase profiles of the input signal, we achieve conversion efficiencies of approximately 5-15% while maintaining an effective quasi-linear spectral phase transfer. These findings will contribute to establishing first-principles and scaling laws essential for applications such as high-precision imaging, spectroscopy, quantum transduction, and distributed entangled interconnects, facilitating advanced control of ultrafast photonic and electronic wavepackets in quantum materials with unprecedented spatial and temporal precision.

Zhang, Hao↗
DOE OSTI2021

A multi-institution collaboration to study copper wire hybrid and laser-cut foil X-pinches

X-pinches are a pulsed power wire-array configuration that produce nanosecond and micron-scale X-ray sources with numerous applications. The earliest embodiment of the X-pinch inspired its name, as it is typically composed of two or more fine (5-50 µm) wires crossed into the shape of an X (Fig. 1a). The ‘X’ ablates when subjected to large (10 1 -10 4 kA), fast-rising (~1 kA/ns) currents, and extreme magnetic pressure at the cross-point constricts the ablated plasma, which develops instabilities and then pinches to near-zero radius, localized ‘hot spots’, emitting X-rays from a sub-nanosecond and 1 µm scale source characteristic of a hot (~1 keV), dense (10% solid density) plasma. A subsequent gap forms where the hot spot(s) occurred, across which substantial potential accelerates electron beams (e-beams) that generate larger, longer-lasting X-ray bursts composed of harder X-rays.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

2021 Component Innovation Awardee: Windurance, LLC

Distributed wind turbine manufacturers seeking to enter the market are often hampered by two challenges: not enough capital and no specific expertise in developing certified electronic equipment. A harsh reality is that off-the-shelf power electronics are neither certified nor cost-effective. This lack of certified controller equipment in the distributed wind energy industry adds expense and impedes market penetration related to certification for individual wind turbines, wind system projects, and installations. Normally, these certification costs would be borne repeatedly by individual turbine manufacturers or developers on a model-by-model or project-by-project basis, resulting in cost and time delays as well as uncertainty and risk for project developers and prospective owners. Windurance seeks to eliminate these challenges by developing and obtaining third-party certification of a standardized wind turbine controller. This will facilitate development, certification, and production while supporting efficiencies not easily achievable by individual manufacturers. Windurance's Distributed Wind Industry Turbine Controller will enable manufacturers to apply proprietary turbine- specific configurations and functionality. When applicable, manufacturers can expand on a Windurance-provided software framework to add unique or proprietary functionality.

CIP↗
DOE OSTI2020

A high efficiency and low vibration liquid nitrogen cooling system for silicon crystal based x-ray optics

A compact low-cost cryocooling system has been designed, constructed, and tested at SLAC National Accelerator Laboratory. The cooling power is provided by natural convection and phase change of the liquid nitrogen. The initial application was to cool silicon crystal optics to the sub-100 K range. A silicon crystal of dimension (width × depth × height) 50 × 50 × 30 mm3 has been used with an electric heater on the top surface in this prototyping test. This system can effectively provide more than 80 W of cooling power to the optics with a consumption of liquid nitrogen less than 2.1 l/h. The vibration of the silicon crystal was monitored during the tests with added electric heater power on the crystal. We note the vibration of the silicon crystal due to liquid nitrogen boiling is negligible.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Design of a Stable Heusler Alloy with Switchable Metal-to-Half-Metal Transition at Finite Temperature

We report the electronic structure and metallicity of Si-doped Mn2VGe Heusler alloys within the first-principles density-functional theory framework are discussed. Mn2VGe is found to assume two stable structures at (cubic) lattice constants of 5.7 and 6.05 Å, which are well-separated in energy and correspond to half-metallic (low-spin) and metallic (high-spin) phases, respectively. Substitution of Ge by Si reduces the energy difference between these two phases, which become nearly degenerate at an Si concentration of ≈3.125 at% at zero temperature. The analysis shows that the switching between the high- and low-spin phases for this composition can be triggered via a pressure of 2.8 GPa at 300 K. Si-doped Mn 2 VGe can thus provide an ultrafast, low power, cost-effective materials platform for spintronics applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Medium-duty Urban Range Extended Connected Powertrain (Final Scientific Technical Report)

The project goal is to develop and demonstrate a Class 4 delivery vehicle that reduces fuel consumption by 50% or more when compared to an equivalent vehicle with a conventional internal combustion engine (ICE) powertrain driven on a comparable duty cycle. This shall be achieved using a plug-in hybrid electric (PHEV) configuration that optimizes the efficiency of the ICE. The proposed solution aims to be commercially viable for fleets to procure the system without additional incentives. To accomplish this, commercialized light-duty vehicle electric drive components shall be used. A PHEV configuration for Class 4 MD/HD vocational vehicles using commercialized light-duty vehicle electric drive components will require the development of a new topology for the hybrid powertrain applicable to medium-duty vehicles. Prior research indicates that an identified novel power split device could provide a fuel economy improvement potential of up to 51%. Utilizing an advanced battery management algorithm that will allow operation closer to the battery limits, the project will minimize battery capacity to achieve the desired performance results while maintaining the cost target for high commercialization. The solution must be cost effective to purchase and integrate into a Class 4 delivery vehicle, deliver the intended fuel economy improvement, and perform as well, or better, than the current conventional ICE powertrain. MD/HD vehicles typically require higher power, which is one factor that results in high costs for the powerful electric machines typical in larger HEV/PHEV systems. A key element in the project is the use of commercially available Bosch electric drive components (e.g., motors, batteries, and power electronics) from the larger passenger vehicle segment. This leverages the economies of scale to decrease cost and improve reliability beyond current purpose-built low-volume commercial vehicle components. These innovations will result in a game-changing PHEV system that meets DOE’s 50% fuel consumption reduction target, grants the vehicle an uncompromised driving range, and achieves the cost point for widespread adoption.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Multiphonon diffuse scattering in solids from first principles: Application to layered crystals and two-dimensional materials

Time-resolved diffuse scattering experiments have gained increasing attention due to their potential to reveal nonequilibrium dynamics of crystal lattice vibrations with full momentum resolution. Although progress has been made in interpreting experimental data on the basis of one-phonon scattering, understanding the role of individual phonons can be sometimes hindered by multiphonon excitations. In Ref. [M. Zacharias, H. Seiler, F. Caruso, D. Zahn, F. Giustino, P. C. Kelires, and R. Ernstorfer, Phys. Rev. Lett. 127, 207401 (2021)], we have introduced a rigorous approach for the calculation of the all-phonon inelastic scattering intensity of solids from first-principles. In the present work, we describe our implementation in detail and show that multiphonon interactions are captured efficiently by exploiting translational and time-reversal symmetries of the crystal. We demonstrate its predictive power by calculating the scattering patterns of monolayer molybdenum disulfide (MoS 2 ), bulk MoS 2 , and black phosphorus (bP), and we obtain excellent agreement with our measurements of thermal electron diffuse scattering. Remarkably, our results show that multiphonon excitations dominate in bP across multiple Brillouin zones, while in MoS 2 they play a less pronounced role. We expand our analysis for each system and examine the effect of individual atomic and interatomic vibrational motion on the diffuse scattering signals. We further demonstrate the high-throughput capability of our approach by reporting all-phonon scattering maps of two-dimensional MoSe 2 , WSe 2 , WS 2 , graphene, and CdI 2 , rationalizing in each case the effect of multiphonon processes. As a side point, we show that the special displacement method reproduces the thermally distorted configuration that generates precisely the all-phonon diffuse pattern. In conclusion, the present methodology opens the way for systematic calculations of the scattering intensity in crystals and the accurate interpretation of static and time-resolved inelastic scattering experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

An information-matching approach to optimal experimental design and active learning

The efficacy of mathematical models heavily depends on the quality of the training data, yet collecting sufficient data is often expensive and challenging. Many modeling applications require inferring parameters only as a means to predict other quantities of interest (QoI). Because models often contain many unidentifiable (sloppy) parameters, QoIs often depend on a relatively small number of parameter combinations. Therefore, we introduce an information-matching criterion based on the Fisher information matrix to select the most informative training data from a candidate pool. This method ensures that the selected data contain sufficient information to learn only those parameters that are needed to constrain downstream QoIs. It is formulated as a convex optimization problem, making it scalable to large models and datasets. Here, we demonstrate the effectiveness of this approach across various modeling problems in diverse scientific fields, including power systems and underwater acoustics. Finally, we use information-matching as a query function within an active learning (AL) loop for materials science applications. In all these applications, we find that a relatively small set of optimal training data can provide the necessary information for achieving precise predictions. These results are encouraging for diverse future applications, particularly AL in large machine-learning models.

Materials science↗
DOE OSTI2020

The organic redox transistor for neuromorphic computing

Inspired by the in-memory computing architectures of biological systems, neuromorphic computing using crossbar arrays of artificial synapses based on non-volatile memory (NVM) devices with variable conductances has emerged as a new paradigm to enable massively parallel and ultra-low power computing hardware for data centric applications. Although inference has been demonstrated successfully using crossbars based on a variety of NMV technologies, efficient learning and scaling to large arrays (>10 6 elements) remains a challenge due to the synaptic elements' non-ideal electrical characteristics which degrades ANN accuracy. A further challenge is that in the conductive state memristors draw large currents >μA resulting in significant voltage drops in the interconnect wires and increased probability of failure in scaled arrays. We suggest the organic polymer redox transistor (RT) is an alternate approach that could solve many of these challenges, enabling both inference and parallel outer product updates, as recently demonstrated by Fuller et al. An RT consists of redox-active channel and gate electrodes in contact with a liquid or solid electrolyte. lon insertion through the electrolyte controls the channel electronic conductivity, while electron transfer through an external circuit maintains overall charge neutrality. Unlike a rechargeable battery, in the RT the voltage built-up across the electrolyte is kept to a minimum (typically <100 mV) by using the same material for the gate and channel. Elimination of the voltage offset simplifies integration of the RT into programmable arrays by enabling the use of various selectors. RTs based on inorganic and organic materials have been recently demonstrated with conductance tuning occurring at potentials of just a few mV and hundreds to thousands of linearly and symmetrically programmable conductance states, enabling near ideal accuracy in neural network simulations. Introduced in the 1980's, redox transistors with metallic gate electrodes and organic channel materials, also known as organic electrochemical transistors (OECTs), have been explored for a variety of applications such as chem- and bio-sensing, neural interfaces, and low cost printed circuits. A typical channel material for OECTs is the conducting polymer poly(3,4-ethylenedioxythiophene) doped with poly(styrene sulfonate) (PEDOT:PSS). PEDOT is a p-type semiconducting polymer with mobile positively charged polarons that hop chain-to-chain.

Talin, Albert Alec↗