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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Novel subnanosecond rise, flattop, 100 kV high voltage pulse generator (ASAP-LDRD-22-0122)

We looked to build a new type of 100 kV pulse generator that we hope will avoid many of the problems seen with other commercially available pulse generators. We looked to exploit recent improvements in both lasers and solid-state pulse charge units along with an alternative triggering layout to build something new. For the pulse charging unit, we collaborated with Texas Tech to leverage their knowledge and expertise in pulse transformers and solid-state switching. The final result of the LDRD looks promising. Texas Tech was able to build a pulse charge unit that meets our specifications regarding output, and we were able to integrate it with a switch and a laser to create a device that meets the goals of the LDRD. There is still much work to do to advance the design further and improve reliability, but the proto-type design satisfies the goals we set for this LDRD.

42 ENGINEERING↗
NASA NTRS1985

Effects of coating rectangular microscopic electrophoresis chamber with methylcellulose

One of the biggest problems in obtaining high accuracy in microscopic electrophoresis is the parabolic flow of liquid in the chamber due to electroosmotic backflow during application of the electric field. In chambers with glass walls the source of polarization leading to electroosmosis is the negative charge of the silicare and other ions that form the wall structure. It was found by Hjerten, who used a rotating 3.0 mm capillary tube for free zone electrophoresis, that precisely neutralizing this charge was extremely difficult, but if a neutral polymer matrix (formaldehyde fixed methylcellulose) was formed over the glass (quartz) wall the double layer was displaced and the viscosity at the shear plane increased so that electroosmotic flow could be eliminated. Experiments were designed to determine the reliability with which methylcellulose coating of the Zeiss Cytopherometer chamber reduced electroosmotic backflow and the effect of coating on the accuracy of cell electrophoretic mobility (EPN) determinations. Fixed rat erythrocytes (RBC) were used as test particles.

Plank, L. D.↗
NASA NTRS1982

Lamp reliability studies for improved satellite rubidium frequency standard

In response to the premature failure of Rb lamps used in Rb atomic clocks onboard NAVSTAR GPS satellites experimental and theoretical investigations into their failure mechanism were initiated. The primary goal of these studies is the development of an accelerated life test for future GPS lamps. The primary failure mechanism was identified as consumption of the lamp's Rb charge via direct interaction between Rb and the lamp's glass surface. The most effective parameters to accelerate the interaction between the Rb and the glass are felt to be RF excitation power and lamp temperature. Differential scanning calorimetry is used to monitor the consumption of Rb within a lamp as a function of operation time. This technique yielded base line Rb consumption data for GPS lamps operating under normal conditions.

Frueholz, R. P.↗
NASA NTRS2013

Conductance of Ion Channels - Theory vs. Experiment

Transmembrane ion channels mediate a number of essential physiological processes in a cell ranging from regulating osmotic pressure to transmission of neural signals. Kinetics and selectivity of ion transport is of critical importance to a cell and, not surprisingly, it is a subject of numerous experimental and theoretical studies. In this presentation we will analyze in detail computer simulations of two simple channels from fungi - antiamoebin and trichotoxin. Each of these channels is made of an alpha-helical bundle of small, nongenomically synthesized peptides containing a number of rare amino acids and exhibits strong antimicrobial activity. We will focus on calculating ionic conductance defined as the ratio of ionic current through the channel to applied voltage. From molecular dynamics simulations, conductance can be calculated in at least two ways, each involving different approximations. Specifically, the current, given as the number of charges transferred through the channel per unit of time, can be obtained from the number of events in which ions cross the channel during the simulation. This method works well for large currents (high conductance values and/or applied voltages). If the number of crossing events is small, reliable estimates of current are difficult to achieve. Alternatively, conductance can be estimated assuming that ion transport can be well approximated as diffusion in the external potential given by the free energy profile. Then, the current can be calculated by solving the one-dimensional diffusion equation in this external potential and applied voltage (the generalized Nernst-Planck equation). To do so three ingredients are needed: the free energy profile, the position-dependent diffusion coefficient and the diffusive flux of ions into the channel. All these quantities can be obtained from molecular dynamics simulations. An important advantage of this method is that it can be used equally well to estimating large and small currents. In addition, once the free energy profile becomes available the full current-voltage dependence can be readily obtained. For both channels we carried out calculations using both approaches. We also tested the main assumptions underlying the diffusive model, such as uncorrelated nature of individual crossing events and Fickian diffusion. The accuracy and consistency of different methods will be discussed. Finally we will discuss how comparisons between calculated and measured ionic conductance and selectivity of transport can be used for determining structural models of the channels.

Pohorille, Andrew↗
NASA NTRS1999

Study the Effects of Charged Particle Radiation on Gravitational Sensors in Space

Space-flight charging of free floating masses poses an unusual problem-- how can one control charge on the object without exerting a significant force on it? One approach is to make contact to the object with a fine wire. However, for many precision applications no physical contact is permissible, so charge must be conveyed in, a more sophisticated manner. One method has already been developed: Gravitational Probe B (GP-B) uses an ultraviolet photo-emission system described in ref 1. This system meets the experiment requirements, yet poses a number of constraints, including high power dissipation (approximately 10 W peak, approximately 1 W average), low current output (approximately 10(exp -13) A), and potential reliability problems associated with fiber optics system and the UV source. The aim of the current research is to improve this situation and, if possible, develop a more rugged and lower power alternative, usable in a wide range of situations. An potential alternative to the UV electron source is a Spindt-type field emission cathode. These consist of an array of extremely sharp silicon tips mounted in a standard IC package with provision for biasing them relative to the case potential. They are attractive as electron sources for space applications due to their low power consumption (10(exp -5) W), high current levels (10(exp -9) to 10(exp -5) A), and the absence of mechanical switching. Unfortunately, existing cathodes require special handling to avoid contamination and gas absorption. These contaminants can cause severe current fluctuations and eventual destruction of the cathode tips. Another potential drawback is the absence of any data indicating the possibility of bipolar current flow. This capability is needed because of the large uncertainties in the net charge transfer from cosmic rays to a free floating mass in space. More recent devices reduce the current fluctuations and destructive arcing by mounting the tips on a resistive substrate rather than a good conductor. This effectively wires a resistor to each individual tip, providing a current limit and thus greatly reducing the possibility of destructive arcing through an individual tip. An issue with this resistive layer is its range of operating temperatures. From the experience with the GP-B system, we hypothesized about using secondary electron emission for control of net charge transfer to an object. An important goal of the testing described below was to demonstrate the ability to apply both positive and negative charges to the test object from a single emitter.

Lipa, John A.↗
DOE OSTI2024

Freestanding and Flexible Micrometer-Thick PEDOT:PSS Film with High Power Factor

High-efficiency thermoelectric materials are vital for sustainable energy. This work presents a reliable method to fabricate freestanding, flexible micrometer-thick films of poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS), achieving a power factor of 204 μW m –1 K –2 , 4 orders of magnitude higher than pristine films. Furthermore, this improvement stems from polymer chain realignment and enhanced charge transport via solvent doping, coupled with PSS reduction during post-treatment, which also strengthens film mechanics. Crucially, the freestanding nature ensures transferability, making them ideal for versatile applications. Besides thermoelectrics, these highly conductive, robust, and flexible PEDOT:PSS films provide attractive solutions for organic solar cells, battery electrodes, and flexible electronics.

Conjugated Polymers↗
DOE OSTI2024

Low Power, Radiation Resilient Synchronous Edge Processing for Remote Monitoring

Next-generation space remote sensing systems may be equipped with imaging arrays that sense data at a rate that outstrips the processing capability of any computing hardware that can operate within a satellite’s power budget. This project developed novel convolutional and recurrent neural networks to detect and estimate point-like events amid clutter, and investigated their efficient and accurate implementation on analog in-memory computing systems that are 10-1000× more energy-efficient than digital processors. This project leveraged two memory devices at different levels of technological maturity: a large-scale analog computing prototype using commercial SONOS charge-trap memory, and electrochemical memory (ECRAM) with intrinsic radiation hardness. We experimentally demonstrated end-to-end analog processing of our neural networks on SONOS and characterized the radiation response of both SONOS and ECRAM. We advanced the state-of-the-art in ECRAM precision and reliability, and developed co-design methods to enable accurate long-term operation of SONOS analog accelerators in space radiation environments.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Digital Twin Framework for PIP-II Linac: AI-Driven Multi-Scale Modeling from Ion Source to 800 MeV

The PIP-II linac will enable >1.2 MW beam power for DUNE, requiring unprecedented operational reliability across its warm front-end (RFQ, MEBT) and five distinct SRF sections operating at 162.5/325/650 MHz. We present a comprehensive digital twin framework uniquely combining a fully differentiable fast beam transport code with neural network surrogates trained on high-fidelity PIC simulations, capturing space charge and nonlinear dynamics beyond traditional envelope codes while achieving 10⁴ speedup at <1% accuracy. End-to-end differentiability enables gradient-based optimization across 500+ parameters simultaneously previously impossible with conventional tools while the model incorporates static/dynamic errors and serves as a virtual commissioning platform for diverse hardware integration. The framework facilitates reinforcement learning for pulsed/CW mode transitions, predictive maintenance through anomaly detection, and autonomous tuning algorithm development with real-time execution capability. Validation against physics simulations shows excellent agreement for the front-end, with initial results demonstrating potential for 30% commissioning time reduction and proactive fault mitigation, providing a scalable blueprint for operating next-generation high-intensity accelerators.

Pathak, Abhishek [Fermilab] (ORCID:000000021704208↗
DOE OSTI2025

Digital Twin Framework for PIP-II Linac: AI-Driven Multi-Scale Modeling from Ion Source to 800 MeV

The PIP-II linac will enable >1.2 MW beam power for DUNE, requiring unprecedented operational reliability across its warm front-end (RFQ, MEBT) and five distinct SRF sections operating at 162.5/325/650 MHz. We present a comprehensive digital twin framework uniquely combining a fully differentiable fast beam transport code with neural network surrogates trained on high-fidelity PIC simulations, capturing space charge and nonlinear dynamics beyond traditional envelope codes while achieving 10⁴× speedup at <1% accuracy. End-to-end differentiability enables gradient-based optimization across 500+ parameters simultaneously—previously impossible with conventional tools—while the model incorporates static/dynamic errors and serves as a virtual commissioning platform for diverse hardware integration. The framework facilitates reinforcement learning for pulsed/CW mode transitions, predictive maintenance through anomaly detection, and autonomous tuning algorithm development with real-time execution capability. Validation against physics simulations shows excellent agreement for the front-end, with initial results demonstrating potential for 30% commissioning time reduction and proactive fault mitigation, providing a scalable blueprint for operating next-generation high-intensity accelerators.

Pathak, Abhishek [Fermilab] (ORCID:000000021704208↗
DOE OSTI2021

Single Atom Catalysts: A Review of Characterization Methods

Abstract Single atom catalysts (SACs) harbor a potential to exceed nanoparticle catalysts in terms of activity, stability and selectivity in a growing number of chemical reactions. Although their investigation is attracting significant attention, important fundamental questions focusing on key physicochemical properties of SACs (e. g., structure – property relationships, structural dynamics, reaction‐driven restructuring) remain unanswered. A main challenge for research in the field is how to reliably characterize the environments of single atoms in the presence of complicating factors such as low weight loadings, strong metal‐support interactions, and atomic and multiscale heterogeneity of bonding in the single atom sites. This review addresses this challenge – identifying catalytically relevant features of physicochemical properties of single atoms (charge state, electronic structure, atomic configuration, bonding interactions with a support) and surveying advanced tools/methods for characterizing them. The review places a strong emphasis on multimodal methods exploiting X‐ray absorption, emission and photoelectron spectroscopies, and provides several examples from the authors’ research that demonstrate their use as powerful tools for SAC characterization.

Kottwitz, Matthew↗
DOE OSTI2023

Integrated Quantum-Classical Protocol for the Realistic Description of Solvated Multinuclear Mixed-Valence Transition-Metal Complexes and Their Solvatochromic Properties

Linear cyanide-bridged polymetallic complexes, which undergo photoinduced metal-to-metal charge transfer, represent prototypical systems for studying long-range electron-transfer reactions and understanding the role played by specific solute–solvent interactions in modulating the excited-state dynamics. Here, to tackle this problem, while achieving a statistically meaningful description of the solvent and of its relaxation, one needs a computational approach capable of handling large polynuclear transition-metal complexes, both in their ground and excited states, as well as the ability to follow their dynamics in several environments up to nanosecond time scales. Here, we present a mixed quantum classical approach, which combines large-scale molecular dynamics (MD) simulations based on an accurate quantum mechanically derived force field (QMD-FF) and self-consistent QMD polarized point charges, with IR and UV–vis spectral calculations to model the solvation dynamics and optical properties of a cyano-bridged trinuclear mixed-valence compound (trans-[(NC) 5 Fe III (μ-CN)Ru II (pyridine) 4 (μ-NC)Fe III (CN) 5 ] 4– ). We demonstrate the reliability of the QMD-FF/MD approach in sampling the solute conformational space and capturing the local solute–solvent interactions by comparing the results with higher-level quantum mechanics/molecular mechanics (QM/MM) MD reference data. The IR spectra calculated along the classical MD trajectories in different solvents correctly predict the red shift of the CN stretching band in the aprotic medium (acetonitrile) and the subtle differences measured in water and methanol, respectively. By explicitly including the solvent molecules around the cyanide ligands and calculating the thermal averaged absorption spectra using time-dependent density functional theory calculations within the Tamm–Dancoff approximation, the experimental solvatochromic shift is quantitatively reproduced going from water to methanol, while it is overestimated for acetonitrile. This discrepancy can likely be traced back to the lack of important dispersion interactions between the solvent cyano groups and the pyridine substituents in our micro solvation model. The proposed protocol is applied to the ground state in water, methanol, and acetonitrile and can be flexibly generalized to study excited-state nonequilibrium solvation dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Ab Initio Electron-Phonon Interactions in Correlated Electron Systems

Electron-phonon ( e - ph ) interactions are pervasive in condensed matter, governing phenomena such as transport, superconductivity, charge-density waves, polarons, and metal-insulator transitions. First-principles approaches enable accurate calculations of e - ph interactions in a wide range of solids. However, they remain an open challenge in correlated electron systems (CES), where density functional theory often fails to describe the ground state. Therefore reliable e - ph calculations remain out of reach for many transition metal oxides, high-temperature superconductors, Mott insulators, planetary materials, and multiferroics. Here we show first-principles calculations of e - ph interactions in CES, using the framework of Hubbard-corrected density functional theory ( DFT + U ) and its linear response extension ( DFPT + U ), which can describe the electronic structure and lattice dynamics of many CES. We showcase the accuracy of this approach for a prototypical Mott system, CoO, carrying out a detailed investigation of its e - ph interactions and electron spectral functions. While standard DFPT gives unphysically divergent and short-ranged e - ph interactions, DFPT + U is shown to remove the divergences and properly account for the long-range Fröhlich interaction, allowing us to model polaron effects in a Mott insulator. Our work establishes a broadly applicable and affordable approach for quantitative studies of e - ph interactions in CES, a novel theoretical tool to interpret experiments in this broad class of materials.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Operando bulk and interfacial characterization for electrochemical energy storage: Case study employing isothermal microcalorimetry and X-ray absorption spectroscopy

Abstract The global shift to electricity as the main energy carrier will require innovation in electrochemical energy storage (EES). EES systems are the key to the “electron energy economy,” minimizing losses and increasing reliability between energy supply and demand. However, steep challenges such as cost, cycle/calendar life, energy density, material availability, and safety limit widespread adoption of batteries for large-scale grid and vehicle applications. Battery innovation that meets today’s challenges will require new chemistries, which can originate from understanding charge transport phenomena at multiple time and length scales. The advancement of operando characterization can expedite this progress as changes can be observed during battery function. This article highlights progress in bulk and interfacial operando characterization of batteries. Specifically, a case study involving Fe 3 O 4 is provided demonstrating that combining X-ray absorption spectroscopy and isothermal microcalorimetry can provide real-time characterization of productive faradaic redox processes and parasitic interfacial reactions during (de)lithiation. Graphic abstract

36 MATERIALS SCIENCE↗
DOE OSTI2021

Evaluating ZEBRA Battery Module under the Peak-Shaving Duty Cycles

With the recent rapid increase in demand for reliable, long-cycle life, and safe battery technologies for large-scale energy-storage applications, a battery module based on ZEBRA battery chemistry is extensively evaluated for its application in peak shaving duty cycles. First, this module is tested with a full capacity cycle consisting of a charging process (factory default) and a discharging process with a current of 40 A. The battery energy efficiency (discharge vs. charge) is about 90%, and the overall energy efficiency is 80.9%, which includes the auxiliary power used to run the battery management system electronics and self-heating to maintain the module operating temperature (265 °C). Generally, because of the increased self-heating during the holding times that exist for the peak shaving duty cycles, the overall module efficiency decreases slightly for the peak-shaving duty cycles (70.7–71.8%) compared to the full-capacity duty cycle. With a 6 h, peak-shaving duty cycle, the overall energy efficiency increases from 71.8% for 7.5 kWh energy utilization to 74.1% for 8.5 kWh. We conducted long-term cycling tests of the module at a 6 h, peak-shaving duty cycle with 7.5 kWh energy utilization, and the module exhibited a capacity degradation rate of 0.0046%/cycle over 150 cycles (>150 days).

25 ENERGY STORAGE↗
NASA NTRS1992

Rocket propulsion research at Lewis Research Center

A small contingent of engineers at NASA LeRC pioneered the basic research on liquid propellants for rockets shortly after World War 2. Carried on through the 1950s, this work influenced the important early decisions made by Abe Silverstein when he took charge of the Office of Space Flight Programs for NASA. He strongly supported the development of liquid hydrogen as a propulsion fuel in the face of resistance from Wernher von Braun. Members of the LeRC staff played an important role in bringing liquid hydrogen technology to the point of reliability through their management of the Centaur Program. This paper demonstrates how the personality and engineering intuition of Abe Silverstein shaped the Centaur program and left a lasting imprint on the laboratory research tradition. Many of the current leaders of LeRC received their first hands-on engineering experience when they worked on the Centaur program in the 1960s.

Dawson, Virginia P.↗
NASA NTRS1992

Rocket Propulsion Research at Lewis Research Center

A small contingent of engineers at NASA Lewis Research Center pioneered in basic research on liquid propellants for rockets shortly after World War II. Carried on through the 1950s, this work influenced the important early decisions made by Abe Silverstein when he took charge of the Office of Space Flight Programs for NASA. He strongly supported the development of liquid hydrogen as a propulsion fuel in the face of resistance from Wernher von Braun. Members of the Lewis staff played an important role in bringing liquid hydrogen technology to the point of reliability through their management of the Centaur Program. This paper demonstrates how the personality and engineering intuition of Abe Silverstein shaped the Centaur program and left a lasting imprint on the laboratory research tradition. Many of the current leaders of Lewis Research Center received their first hands-on engineering experience when they worked on the Centaur program in the 1960s.

Dawson, Virginia P.↗
DOE OSTI2020

Recent Developments at the U.S. Navy Wave Energy Test Site.

The U.S. Navy’s Wave Energy Test Site (WETS) in Hawaii has hosted two wave energy conversion (WEC) devices since its June 2015 commissioning – the Fred. Olsen BOLT Lifesaver and the Northwest Energy Innovations (NWEI) Azura – each for two deployments. Several additional devices will be tested in the coming years, beginning with the Ocean Energy device in summer 2019. The Hawaii Natural Energy Institute (HNEI) provides research and logistics support to WETS. We will provide an overview of three major activities that we have recently undertaken in this capacity. First, we will discuss results from a project in which modifications were made to the hull and float of the Azura, aimed at improving power performance for a second WETS deployment. Second, HNEI undertook a redeployment of Lifesaver beginning in October 2018, with the dual intent of achieving improvements in reliability and power performance, while also conducting an important demonstration of the use of wave power for non-grid applications. HNEI partnered with the University of Washington to integrate their Adaptable Monitoring Package (AMP) into the hull of BOLT Lifesaver. Included for this deployment was a subsea inductive charging capability from WiBotic, Inc.. These systems are powered entirely by electricity generated by the Lifesaver itself. Finally, HNEI has undertaken design improvements for the deeper berth moorings at WETS, with principal engineering guidance from DNV GL. This has included extensive numerical analysis of strength and fatigue aimed at establishing moorings that can persist for as long as possible. The resulting design will be discussed.

Wave energy conversion devices, Alternative market↗
DOE OSTI2025

Cabibbo-Kobayashi-Maskawa unitarity deficit reduction via finite nuclear size

We revisit the extraction of the |𝑉 𝑢⁢𝑑 | Cabibbo-Kobayashi-Maskawa (CKM) matrix element from the superallowed transition decay rate of 26⁢𝑚 Al → 26 Mg, focusing on finite nuclear size effects. The decay rate dependence on the 26⁢𝑚 Al charge radius is found to be four times higher than previously believed, necessitating precise determination. However, for a short-lived isotope of an odd 𝑍 element such as 26⁢𝑚 Al , radius extraction relies on challenging many-body atomic calculations. We performed the needed calculations, finding an excellent agreement with previous ones, which used a different methodology. This sets a new standard for the reliability of isotope shift factor calculations in many-electron systems. The ℱ⁡𝑡 value obtained from our analysis is lower by 2.2𝜎 than the corresponding value in the previous critical survey, resulting in an increase in |𝑉 𝑢⁢𝑑 | 2 by 0.9𝜎. Adopting |𝑉 𝑢⁢𝑑 | from this decay alone reduces the CKM unitarity deficit by one standard deviation, irrespective of the choice of |𝑉 𝑢⁢𝑠 |.

beta-decay↗