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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

Precision test of statistical dynamics with state-to-state ultracold chemistry

Chemical reactions represent a class of quantum problems that challenge both the current theoretical understanding and computational capabilities1. Reactions that occur at ultralow temperatures provide an ideal testing ground for quantum chemistry and scattering theories, because they can be experimentally studied with unprecedented control, yet display dynamics that are highly complex. Here we report the full product state distribution for the reaction 2KRb → K 2 + Rb 2 . Ultracold preparation of the reactants allows us complete control over their initial quantum degrees of freedom, whereas state-resolved, coincident detection of both products enables the probability of scattering into each of the 57 allowed rotational state-pairs to be measured. Our results show an overall agreement with a state-counting model based on statistical theory, but also reveal several deviating state-pairs. In particular, we observe a strong suppression of population in the state-pair closest to the exoergicity limit as a result of the long-range potential inhibiting the escape of products. Finally, the completeness of our measurements provides a benchmark for quantum dynamics calculations beyond the current state of the art.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Metallene-related materials for electrocatalysis and energy conversion

As a member of graphene analogs, metallenes are a class of two-dimensional materials with atomic thickness and well-controlled surface atomic arrangement made of metals or alloys. When utilized as catalysts, metallenes exhibit distinctive physicochemical properties endowed from the under-coordinated metal atoms on the surface, making them highly competitive candidates for energy-related electrocatalysis and energy conversion systems. Significantly, their catalytic activity can be precisely tuned through the chemical modification of their surface and subsurface atoms for efficient catalyst engineering. Here, this minireview summarizes the recent progress in the synthesis and characterization of metallenes, together with their use as electrocatalysts toward reactions for energy conversion. In the Synthesis section, we pay particular attention to the strategies designed to tune their exposed facets, composition, and surface strain, as well as the porosity/cavity, defects, and crystallinity on the surface. We then discuss the electrocatalytic properties of metallenes in terms of oxygen reduction, hydrogen evolution, alcohol and acid oxidation, carbon dioxide reduction, and nitrogen reduction reaction, with a small extension regarding photocatalysis. At the end, we offer perspectives on the challenges and opportunities with respect to the synthesis, characterization, modeling, and application of metallenes.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Coulomb corrections for the nonflip and spin-flip electromagnetic 𝑝 ↑⁢ 𝐴 amplitudes

It is demonstrated that, within the eikonal approach, the Coulomb corrections to the elastic electromagnetic nonflip and spin-flip proton-nucleus amplitudes are identical when the two amplitudes share the same exponential form factors. This result allows Coulomb corrections to be computed numerically, and with high precision, for both electromagnetic and hadronic elastic 𝑝 ↑⁢ 𝐴 amplitudes in the massless-photon limit, including the effects of soft magnetic photon exchange. The method relies on analytical expressions and numerical integrations over a finite impact-parameter range with nonsingular integrands, providing a practical and systematically controlled framework for phenomenological applications.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

High-precision monitoring of outgassing species in model extreme ultraviolet photoresists with a cavity ring-down spectrometer

Background Extreme ultraviolet (EUV) photoresists play a pivotal role in advancing nanopatterning technologies by balancing image quality and sensitivity. The outgassing behavior of photoresist thin films under EUV and deep ultraviolet (DUV) exposure reveals chemical details relevant to their performance. Aim Here, we focus on utilizing an analytical technique not previously used in photolithography, the tabletop cavity ring-down spectrometer, to investigate outgassing dynamics in EUV photoresists, enabling precise chemical identification and deeper insights into resist processing. Approach The spectrometer’s enhanced laser path length (∼ 20 km) and broadband absorption capabilities in the C–H overtone region allow for sensitive and temporally resolved detection of mixtures of outgassed species. Using a model resist comprising a polymer matrix with a photoacid generator and quencher, we analyzed the influence of time delays between exposure and post-exposure bake (PEB) as well as storage under varying environmental conditions. Results Suppression of isobutylene outgassing and thickness loss was observed with extended delays between exposure and PEB, potentially linked to water absorption and acid deactivation. The technique proved highly effective in distinguishing subtle chemical differences between processing stages. Conclusions Delay times and their environmental conditions, particularly humidity, reduce outgassing and thickness loss of photoresists during PEB, suggesting decreased acid-driven deprotection. This can potentially impact sensitivity, defectivity, and roughness of resist patterns, necessitating precise monitoring and control.

Extreme ultraviolet photoresists↗
DOE OSTI2024

Photovoltaic Analysis and Response Support (PARS) Platform for Solar Situational Awareness and Resiliency Services

The project's primary objective is to develop a digital-twin based Photovoltaic (PV) Analysis and Response Support (PARS) platform, which aims to provide real-time situational awareness and optimal response plans. This platform is designed to enhance the performance of hybrid PV systems, making them competitive with or even superior to conventional generation resources. The PARS platform enabled the project team to develop and evaluate an extensive suite of grid support functionalities for the hybrid PV systems to enhance grid performance, across key areas including visibility, dispatchability, security, resilience, and reliability. Given the global push toward achieving 100% clean energy by 2035, there is a significant increase in the integration of inverter-based resources (IBRs) throughout the energy grid. Effectively managing the inherent variability and uncertainty associated with IBRs is crucial for ensuring cost-effectiveness, reliability, and security in both the main grid and islanded microgrids. Constrained to a limited array of IEEE test systems or standard feeder models, traditional IBR modeling struggles to assimilate new field data, accurately reflect system dynamics, and adapt to the evolving energy landscape. In our project, we embraced a Digital Twin (DT) strategy for crafting the PARS platform. A digital twin acts as a precise virtual counterpart of a physical system, built on historical data and continuously honed with real-time insights. This enables the high-fidelity DT to accurately mirror current system operations and forecast future scenarios. Consequently, the PARS platform becomes an ideal environment for testing and refining monitoring, control, power, and energy management algorithms designed to boost hybrid PV system performance. The defining feature of the PARS platform, distinguishing it from other advanced simulation tools, is its exceptional adaptability. This is achieved by employing actual network topologies and utilizing real-time field data for fine-tuning and calibration, ensuring a close emulation of real-world conditions. The project deliverables include: 1) High-fidelity IBR models and tools for real-time parameterization, utilizing real-time field measurements to refine IBR models for enhanced accuracy and performance; 2) Grid-forming and Grid-following capabilities to deliver resilience services, including blackstart, voltage and frequency support, cold-load pick-up, power reserves, and three-phase load balancing across grid-connected and microgrid settings; 3) Machine learning-based forecasting tools and methods for generating synthetic data and topologies, creating diverse and realistic simulation environments for evaluating varied operational scenarios; 4) Advanced microgrid power and energy management algorithms for optimizing the integration and operation of PV, storage, and demand response resources within both feeder and community scales. The power grid data sets are provided by four utility companies in North Carolina and the New York Power Administration. Acting as industry advisors, our industry partners communicated stakeholder needs and regulatory standards to the research teams, aiding technology transfer by incorporating the developed methodologies into their daily operations. This collaboration ensures that the PARS platform, functioning as a power system digital twin, enhances our understanding of IBR dynamic behaviors and enables the development and evaluation of IBR control functions that match or exceed the capabilities of conventional synchronous generators.

14 SOLAR ENERGY↗
DOE OSTI2024

Precise Fermi level engineering in a topological Weyl semimetal via fast ion implantation

The precise controllability of the Fermi level is a critical aspect of quantum materials. For topological Weyl semimetals, there is a pressing need to fine-tune the Fermi level to the Weyl nodes and unlock exotic electronic and optoelectronic effects associated with the divergent Berry curvature. However, in contrast to two-dimensional materials, where the Fermi level can be controlled through various techniques, the situation for bulk crystals beyond laborious chemical doping poses significant challenges. Here, we report the milli-electron-volt (meV) level ultra-fine-tuning of the Fermi level of bulk topological Weyl semimetal tantalum phosphide using accelerator-based high-energy hydrogen implantation and theory-driven planning. By calculating the desired carrier density and controlling the accelerator profiles, the Fermi level can be experimentally fine-tuned from 5 meV below, to 3.8 meV below, to 3.2 meV above the Weyl nodes. High-resolution transmission electron microscopy reveals the crystalline structure is largely maintained under irradiation, while electrical transport indicates that Weyl nodes are preserved and carrier mobility is also largely retained. Our work demonstrates the viability of this generic approach to tune the Fermi level in semimetal systems and could serve to achieve property fine-tuning for other bulk quantum materials with ultrahigh precision.

36 MATERIALS SCIENCE↗
DOE OSTI2020

High-speed x-ray phase contrast imaging and digital image correlation analysis of microscale shock response of an additively manufactured energetic material simulant

The performance of energetic materials subjected to dynamic loading significantly depends on their micro- and meso-scale structural morphology. The geometric versatility offered by additive manufacturing opens new pathways to tailor the performance of these materials. Additively manufactured energetic materials (AMEMs) have a wide range of structural characteristics with a hierarchy of length scales and process-inherent heterogeneities, which are hitherto difficult to precisely control. It is important to understand how these features affect AMEMs’ response under dynamic/shock loading. Therefore, temporally and spatially resolved measurements of both macroscopic behavior and micro- and meso-level processes influencing macroscopic behavior are required. In this paper, we analyze the shock compression response of an AMEM simulant loaded under several impact conditions and orientations. Furthermore, x-ray phase contrast imaging (PCI) is used to track features across the observed shock front and determine the linear shock velocity vs particle velocity equation of state, as well as to quantify the interior deformation fields via digital image correlation (DIC) analyses. Photon Doppler velocimetry is simultaneously used to measure the particle velocities of the specimens, which are consistent with those obtained from x-ray PCI. The DIC analyses provide an assessment of the average strain fields inside the material, showing that the average axial strain depends on the loading intensity and reaches as high as 0.23 for impact velocities up to 1.5 km/s. The overall results demonstrate the utility of x-ray PCI for probing “in-material” equation of state and interior strains associated with dynamic shock compression behavior of the AMEM simulant.

3D printing↗
DOE OSTI2023

Super-swelling behavior of stacked lipid bilayer systems

Bilayer systems comprising lipid mixtures are the most well-studied model of biological membranes. While the plasma membrane of the cell is a single bilayer, many intra- and extra-cellular biomembranes comprise stacks of bilayers. Most bilayer stacks in nature are periodic, maintaining a precise water layer separation between bilayers. That equilibrium water separation is governed by multiple inter-bilayer forces and is highly responsive. Biomembranes re-configure inter-bilayer spacing in response to temperature, composition, or mass transport cues. In synthetic bilayer systems for applications in cosmetics or topical treatments, control of the hydration level is a critical design handle. Herein we investigate a binary lipid system that leverages key inter-bilayer forces leading to unprecedented levels of aqueous swelling while maintaining a coherent multilamellar form. We found that combining cationic lipids with bicontinuous cubic phase-forming lipids (lipids with positive Gaussian modulus), results in the stabilization of multilamellar phases against repulsive steric forces that typically lead to bilayer delamination at high degrees of swelling. Using ultra-small-angle X-ray scattering alongside confocal laser scanning microscopy, we characterized various super-swelled states of 1,2-dioleoyl-3-trimethylammonium-propane (DOTAP) and glycerol monooleate (GMO) lipids, as well as other analogous systems, at varied concentration and molar ratios. Through these experiments we established swelling profiles of various binary lipid systems that were near-linear with decreasing lipid volume fraction, showing maximum swelling with periodicity well above 200 nanometers.

42 ENGINEERING↗
DOE OSTI2023

Additive-Mixing Fuel Injection (AMFI): A device for robust control and improved performance of high-efficiency LTGC engines

Low-temperature gasoline combustion (LTGC) engines can provide high efficiencies with very low NOx and particulate emissions. Despite these major advantages, methods for controlling LTGC combustion timing, achieving robust autoignition, and good low-load performance have challenged the development of practical LTGC engines. A key reason is that the ideal reactivity of the fuel varies with operating conditions, with low-reactivity fuels working well at high loads and higher-reactivity fuels working better at low loads. This article introduces a new technique called Additive Mixing Fuel Injection (AMFI) that adjusts the reactivity of the gasoline to obtain good performance over the operating map. Moreover, AMFI can provide robust combustion-timing control because it precisely meters very small amounts (0.01–0.6 mm 3 ) of an ignition-enhancing additive into the fuel each engine cycle. The additive used was 2-ethylhexyl nitrate (EHN), a common, inexpensive diesel-fuel ignition improver, but other additives could be used. Because additive amounts are so small, a 2-gal reservoir would be sufficient for medium-duty applications with refilling only at service intervals of about 8000 mi. The AMFI system has been installed on a single-cylinder LTGC research engine and demonstrated to provide robust combustion-timing control over wide ranges of combustion phasing, fueling rate, intake boost, engine speed, and intake temperature. AMFI also increases the fuel’s reactivity sufficiently to greatly reduce or eliminate the need for charge heating, simplifying engine design and significantly increasing thermal efficiency and the maximum load at low-boost conditions. The nitrogen in the EHN produced a modest increase in NOx, but it was mitigated by lower intake temperatures, and NOx emissions remained very low. Finally, the additive increases the sensitivity of autoignition reactions to variations in the local fuel/air mixture within the charge. This allows the use of controlled fuel stratification for improved LTGC-engine performance, and its potential to improve low-load operation was demonstrated.

Dec, John E.↗
DOE OSTI2025

Vexcel Imaging's Suitability for Automatic Verification

Accurate, independently verified geospatial data is essential for automated calibration, validation, and operational decision-making. This study evaluated the positional accuracy of Vexcel Imaging™’s UltraCam® Osprey imagery (7.5 cm GSD) using globally distributed Continuously Operating Reference Stations (CORS) as independent control. Despite manufacturer claims of 15 cm horizontal accuracy, residual errors were consistently one to two orders of magnitude larger, with no subset of imagery meeting precision thresholds. These discrepancies cannot be explained by normal photogrammetric or environmental factors and raise concerns about the reliability of the imagery for high-precision tasks. The results demonstrate that Vexcel imagery, in its current form, is unsuitable for workflows requiring rigorous spatial accuracy or automated verification. At the same time, the reproducible validation framework developed in this study establishes a scalable method for assessing commercial imagery, ensuring that future products can be independently and objectively verified before operational adoption.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Ex-situ Heat Treatment of TEM Foils in a Custom Titanium Fixture: A Case Study on Ni-based Superalloy

The advancement of microstructural characterization at the nanoscale is critical to understanding the microstructural evolution and performance of engineering materials. Transmission electron microscopy (TEM) plays a vital role in such investigations, particularly when coupled with controlled ex- and in-situ experiments. In this study, we introduce a novel method for ex-situ heat treatment (HT) of TEM foils using a custom-designed fixture, made from pure titanium, and vacuum furnace to inhibit oxidation. This approach ensures precise temperature control and minimal sample contamination during HT, critical for substructural characterization and analysis of metallic materials. The fixture consists of a titanium base with three slits, for three sample foils, and a titanium cap for closure. The entire assembly is placed in a vacuum heat treatment furnace with high vacuum capability to prevent oxidation. To validate the effectiveness of the setup, precipitation behavior and microstructural changes were studied in an IN725 variant heat-treated at 500°C for 1 hour and 282 variant heat-treated at 700°C for 1 hour, as case studies.

electron microscopy↗
DOE OSTI2025

Sequential Infiltration Synthesis (SIS) of In 2 O 3 -Based Porous Photoelectrodes for Molecular Sensitization

High-surface-area photoelectrodes are highly desirable for solar energy conversion applications, particularly in systems where surface-bound molecular chromophores are responsible for light absorption. To this end, porous Indium-Zinc-Oxide (IZO) frameworks are fabricated via Sequential Infiltration Synthesis (SIS) into poly(methyl methacrylate) (PMMA) films followed by air annealing. A more complete understanding of the multimetal infiltration process conditions and postannealing temperature allows for precise control of zinc (Zn) incorporation to afford porous, conductive, transparent, and amorphous photoelectrodes. Uniform incorporation of both indium (In) and Zn is found to require extended diethylzinc (DEZ) exposures to compensate for remarkably slow precursor diffusion in the presence of indium oxyhydroxide nuclei. SIS-fabricated IZO photoelectrodes are structurally robust, electrochemically active, and exhibit dye adsorption that suggest practical surface area enhancements greater than 100×. In conclusion, these attributes establish SIS as a rapid, scalable, and reproducible route to photoelectrodes for solar energy conversion and hybrid interface characterization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Distributed Real-time Plume Monitoring for Deep Sea Mineral Extraction​

In the emerging industry of deep-sea mining for minerals and deposits (e.g. polymetallic nodules for nickel, cobalt, copper, and manganese), more data is required to understand the effects of sediment plume generation and predict the distribution of disturbed sediment. There are two main sources of plume generation, the first being at the active mining site where the “collector” directly removes the top layer of the sea floor. The other is the “midwater plume” consisting of unwanted sediment that was collected during extraction that is pumped back into the aphotic zone. The vast majority of plume generation is caused by the collector, causing detrimental and long-lasting impacts on seafloor ecosystems due to the lack of wave activity or strong currents at the sea floor. Therefore, it is crucial to invest in the infrastructure to support the study and constant monitoring over a large area of the sea floor where plume generation is present. Due to the limited number of usable channels and power requirements, current subsea wireless communications technologies are not well suited to instrumenting the large areas of the sea floor needed to monitor plume migration. The scope of this effort is to transition experimental demonstrations of high-bandwidth, full-duplex scalable underwater laser communications to the seafloor in an open ocean environment. Specifically tackling challenges associated with the dynamic nature of the subsea world, including but not limited to, deployment logistics, sustainability, and range. The goal is to enable the internet of underwater things for deep sea industries by broadening the capabilities of subsea communications. By using high-precision laser transmitters, many of the challenges current subsea optical systems face can be circumvented, such as power consumption, interference, and bandwidth limitations. This approach lends itself to wireless interlinking multi-node networks, in series or parallel, facilitating the implementation of a wide array of sensor types. This interlinking allows all the data gathered from the network to be processed through a single hardline uplink to the surface, lowering the complexity required for near real-time data processing. Additionally, the laser control systems produce metadata that can be used to help characterize the water column between the nodes. Combining data from various sensors such as turbidity, temperature, current velocity with metadata such as beam attenuation and deflection can produce a high-resolution model of sea floor conditions around an active mining zone. The resulting near real-time model can be used to optimize location and flow rate of the mining operation to minimize and quantify the environmental impact.

Mons, Ishan↗
DOE OSTI2021

Ultrathin, High-Aspect Ratio, and Free-Standing Magnetic Nanowires by Exfoliation of Ferromagnetic Quasi-One-Dimensional van der Waals Lattices

Driven by numerous discoveries of novel physical properties and integration into functional devices, interest in one-dimensional (1D) magnetic nanostructures has grown tremendously. Traditionally, such structures are accessed with bottom-up techniques, but these require increasing sophistication to allow precise control over crystallinity, branching, aspect ratio, and surface termination, especially when approaching the subnanometer regime in magnetic phases. In this work, we show that mechanical exfoliation of bulk quasi-one-dimensional crystals, a method similar to those popularized for two-dimensional van der Waals (vdW) lattices, serves as an efficient top-down method to produce ultrathin freestanding nanowires that are both magnetic and semiconducting. We use CrSbSe 3 as a representative quasi-1D vdW crystal with strong magnetocrystalline anisotropy and show that it can be exfoliated into nanowires with an average cross-section of 10 ± 2.8 nm. The CrSbSe 3 nanowires display reduced Curie–Weiss temperature but higher coercivity and remanence than the bulk phase. The methodology developed here for CrSbSe 3 , a representative for a vast class of 1D vdW lattices, serves as a blueprint for investigating confinement effects for 1D materials and accessing functional nanowires that are difficult to produce via traditional bottom-up methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

MassIVE MSV000100641 - 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.

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Alexander, William G. [Oak Ridge National Laborato↗
DOE OSTI2022

The PagKNAT2/6b-PagBOP1/2a Regulatory Module Controls Leaf Morphogenesis in Populus

Leaf morphogenesis requires precise regulation of gene expression to achieve organ separation and flat-leaf form. The poplar KNOTTED-like homeobox gene PagKNAT2/6b could change plant architecture, especially leaf shape, in response to drought stress. However, its regulatory mechanism in leaf development remains unclear. In this work, gene expression analyses of PagKNAT2/6b suggested that PagKNAT2/6b was highly expressed during leaf development. Moreover, the leaf shape changes along the adaxial-abaxial, medial-lateral, and proximal-distal axes caused by the mis-expression of PagKNAT2/6b demonstrated that its overexpression (PagKNAT2/6b OE) and SRDX dominant repression (PagKNAT2/6b SRDX) poplars had an impact on the leaf axial development. The crinkle leaf of PagKNAT2/6b OE was consistent with the differential expression gene PagBOP1/2a (BLADE-ON-PETIOLE), which was the critical gene for regulating leaf development. Further study showed that PagBOP1/2a was directly activated by PagKNAT2/6b through a novel cis-acting element “CTCTT”. Together, the PagKNAT2/6b-PagBOP1/2a module regulates poplar leaf morphology by affecting axial development, which provides insights aimed at leaf shape modification for further improving the drought tolerance of woody plants.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Building Atomic and Plasmonic Devices via Electron Beams: from Desired Structures to Desired Properties

The evolution of the aberration correction in Scanning Transmission Electron Microscopy (STEM) has enabled multiple advances including high-resolution structural imaging, pm-level position detection of atomic columns, and ~3-5 mV resolution electron energy loss spectroscopy of the chemical and physical functionalities. These developments have further enabled the precise manipulation of the atomic structure of materials, including removal and formation of atomic planes in 3D materials, controlled atomic motion, and even direct atomic assembly of homo- and heteroatomic artificial molecules. Here, we will discuss several recent advances in STEM-EELS automated experiments as applied to quantum and nanoplasmonic systems.

42 ENGINEERING↗
DOE OSTI2024

Spatial modeling algorithms for reactions and transport in biological cells

Biological cells rely on precise spatiotemporal coordination of biochemical reactions to control their functions. Such cell signaling networks have been a common focus for mathematical models, but they remain challenging to simulate, particularly in realistic cell geometries. Here we present Spatial Modeling Algorithms for Reactions and Transport (SMART), a software package that takes in high-level user specifications about cell signaling networks and then assembles and solves the associated mathematical systems. SMART uses state-of-the-art finite element analysis, via the FEniCS Project software, to efficiently and accurately resolve cell signaling events over discretized cellular and subcellular geometries. We demonstrate its application to several different biological systems, including yes-associated protein (YAP)/PDZ-binding motif (TAZ) mechanotransduction, calcium signaling in neurons and cardiomyocytes, and ATP generation in mitochondria. Throughout, we utilize experimentally derived realistic cellular geometries represented by well-conditioned tetrahedral meshes. These scenarios demonstrate the applicability, flexibility, accuracy and efficiency of SMART across a range of temporal and spatial scales.

59 BASIC BIOLOGICAL SCIENCES↗