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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Compact Peptoid Molecular Brushes for Nanoparticle Stabilization

Controlling the interfaces and interactions of colloidal nanoparticles (NPs) via tethered molecular moieties is crucial for NP applications in engineered nanomaterials, optics, catalysis, and nanomedicine. Despite a broad range of molecular types explored, there is a need for a flexible approach to rationally vary the chemistry and structure of these interfacial molecules for controlling NP stability in diverse environments, while maintaining a small size of the NP molecular shell. Here, we demonstrate that low-molecular-weight, bifunctional comb-shaped, and sequence-defined peptoids can effectively stabilize gold NPs (AuNPs). The generality of this robust functionalization strategy was also demonstrated by coating of silver, platinum, and iron oxide NPs with designed peptoids. Each peptoid (PE) is designed with varied arrangements of a multivalent AuNP-binding domain and a solvation domain consisting of oligo-ethylene glycol (EG) branches. Among designs, a peptoid (PE5) with a diblock structure is demonstrated to provide a superior nanocolloidal stability in diverse aqueous solutions while forming a compact shell (similar to 1.5 nm) on the AuNP surface. We demonstrate by experiments and molecular dynamics simulations that PE5-coated AuNPs (PE5/AuNPs) are stable in select organic solvents owing to the strong PE5 (amine)-Au binding and solubility of the oligo-EG motifs. At the vapor-aqueous interface, we show that PE5/AuNPs remain stable and can self-assemble into ordered 2D lattices. The NP films exhibit strong near-field plasmonic coupling when transferred to solid substrates.

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

Bright, Modular, and Switchable Near-Infrared II Emission from Compact Tetrathiafulvalene-Based Diradicaloid Complexes

Near-infrared (NIR)-emitting molecules are promising candidates for biological sensing and imaging applications; however, many NIR dyes are large conjugated systems which frequently have issues with stability, solubility, and tunability. Here, we report a novel class of compact and tunable fluorescent diradicaloid complexes which are air-, water-, light-, and temperature-stable. These properties arise from a compressed pi manifold which promotes an intense ligand-centered π-π transition in the NIR II (1000-1700 nm) region and which subsequently emits at similar to ~1200 nm. This emission is among the brightest known for monomolecular lumiphores with deep NIR II (>1100 nm) emission, nearly an order of magnitude brighter than the commercially available NIR II dye IR 26. Additionally, this fluorescence is electrochemically sensitive, with efficient switching upon addition of redox agents. The brightness, stability, and modularity of this system distinguish it as a promising candidate for the development of new technologies built around NIR emission.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

para -Azaquinodimethane: A Compact Quinodimethane Variant as an Ambient Stable Building Block for High-Performance Low Band Gap Polymers

Quinoidal structures incorporating expanded para-quinodimethane (p-QM) units have garnered great interest as functional organic electronic, optical, and magnetic materials. The direct use of the compact p-QM unit as an electronic building block, however, has been inhibited by the high reactivity conveyed by its biradical character. Herein, we introduce a stable p-QM variant, namely p-azaquinodimethane (p-AQM), that incorporates nitrogen atoms in the central ring and alkoxy substituents on the periphery to increase the stability of the quinoidal structure. The succinct synthesis from readily available precursors leads to regio- and stereospecific p-AQMs that can be readily integrated into the backbone of conjugated polymers. The quinoidal character of the p-AQM unit endows the resulting polymers with narrow band gaps and high carrier transport mobilities. The study of a series of copolymers employing different numbers of thiophene units revealed an unconventional trend in band gaps, which is distinct from the widely adopted donor-acceptor approach to tuning the band gaps of conjugated polymers. Theoretical calculations have shed light on the nature of this trend, which may provide a unique class of conjugated polymers with promising optical and electronic properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Compact folded metasurface spectrometer

Abstract An optical design space that can highly benefit from the recent developments in metasurfaces is the folded optics architecture where light is confined between reflective surfaces, and the wavefront is controlled at the reflective interfaces. In this manuscript, we introduce the concept of folded metasurface optics by demonstrating a compact spectrometer made from a 1-mm-thick glass slab with a volume of 7 cubic millimeters. The spectrometer has a resolution of ~1.2 nm, resolving more than 80 spectral points from 760 to 860 nm. The device is composed of three reflective dielectric metasurfaces, all fabricated in a single lithographic step on one side of a substrate, which simultaneously acts as the propagation space for light. The folded metasystem design can be applied to many optical systems, such as optical signal processors, interferometers, hyperspectral imagers, and computational optical systems, significantly reducing their sizes and increasing their mechanical robustness and potential for integration.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

Cross-linked beta alumina nanowires with compact gel polymer electrolyte coating for ultra-stable sodium metal battery

Sodium metal batteries have potentially high energy densities, but severe sodium-dendrite growth and side reactions prevent their practical applications, especially at high temperatures. Herein, we design an inorganic ionic conductor/gel polymer electrolyte composite, where uniformly cross-linked beta alumina nanowires are compactly coated by a poly(vinylidene fluoride-co-hexafluoropropylene)-based gel polymer electrolyte through their strong molecular interactions. These beta alumina nanowires combined with the gel polymer layer create dense and homogeneous solid-liquid hybrid sodium-ion transportation channels through and along the nanowires, which promote uniform sodium deposition and formation of a stable and flat solid electrolyte interface on the sodium metal anode. Side reactions between the sodium metal and liquid electrolyte, as well as sodium dendrite formation, are successfully suppressed, especially at 60 °C. The sodium vanadium phosphate/sodium full cells with composite electrolyte exhibit 95.3% and 78.8% capacity retention after 1000 cycles at 1C at 25 °C and 60 °C, respectively.

Science & Technology - Other Topics↗
DOE OSTI2024

Towards higher frequencies in a compact prebunched waveguide THz-FEL

Free-electron-lasers fill a critical gap in the space of THz-sources as they can reach high average and peak powers with spectral tunability. Using a waveguide in a THz FEL significantly increases the coupling between the relativistic electrons and electromagnetic field enabling large amounts of radiation to be generated in a single passage of electrons through the undulator. In addition to transversely confining the radiation, the dispersive properties of the waveguide critically affect the velocity and slippage of the radiation pulse which determine the central frequency and bandwidth of the generated radiation. In this paper, we characterize the spectral properties of a compact waveguide THz FEL including simultaneous lasing at two different frequencies and demonstrating tuning of the radiation wavelength in the high frequency branch by varying the beam energy and ensuring that the electrons injected into the undulator are prebunched on the scale of the resonant radiation wavelength.

Experimental particle physics↗
DOE OSTI2025

Demonstration of Super-X divertor exhaust control for transient heat load management in compact fusion reactors

Nuclear fusion could offer clean, abundant energy. However, managing the power exhausted from the core fusion plasma towards the reactor wall remains a major challenge. This is compounded in emerging compact reactor designs promising more cost-effective pathways towards commercial fusion energy. Alternative Divertor Configurations (ADCs) are a potential solution. In this work, we demonstrate exhaust control in ADCs, employing a novel method to diagnose the neutral gas buffer, which shields the target. Our work on the Mega Ampere Spherical Tokamak Upgrade shows that ADCs tackle key risks and uncertainties for fusion energy. Their highly reduced sensitivity to perturbations enables active exhaust control in otherwise unfeasible situations and facilitates an increased passive absorption of transients, which would otherwise damage the divertor. We observe a strong decoupling of each divertor from other reactor regions, enabling near-independent control of the divertors and core plasma. Our work showcases the real-world benefits of ADCs for effective heat load management in fusion power reactors.

Imaging techniques↗
DOE OSTI2025

A Compact Topological Microwave Isolator

A central goal of topological photonics has been to develop compact isolators using protected, non-reciprocal edge states. Furthermore, a recent demonstration of a ferrite-based microwave isolator leverages the magnon-induced topological photonic bandgap to achieve over 100 dB of isolation in a device smaller than a single free-space wavelength.

Magneto-optics↗
DOE OSTI2021

Compact spectroscopy of keV to MeV X-rays from a laser wakefield accelerator

We reconstruct spectra of secondary X-rays from a tunable 250–350 MeV laser wakefield electron accelerator from single-shot X-ray depth-energy measurements in a compact (7.5 × 7.5 × 15 cm), modular X-ray calorimeter made of alternating layers of absorbing materials and imaging plates. X-rays range from few-keV betatron to few-MeV inverse Compton to > 100 MeV bremsstrahlung emission, and are characterized both individually and in mixtures. Geant4 simulations of energy deposition of single-energy X-rays in the stack generate an energy-vs-depth response matrix for a given stack configuration. An iterative reconstruction algorithm based on analytic models of betatron, inverse Compton and bremsstrahlung photon energy distributions then unfolds X-ray spectra, typically within a minute. We discuss uncertainties, limitations and extensions of both measurement and reconstruction methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Explainable machine learning for incipient anomaly detection in compact molten salt heat exchanger with overlapping feature distributions

High-temperature molten salt-cooled reactors (MSCRs) are a promising next-generation nuclear technology option, offering efficient power conversion and inherent safety features. However, the reliability of these systems depends on the robust operation of heat exchangers (HXs), which are susceptible to failure due to temperature gradients and channel plugging caused by fluid freezing. Conventional monitoring methods, relying on inlet and outlet measurements, lack the spatial resolution needed to detect early-stage faults. We propose a novel design of a compact salt-to-salt matrix-type HX design consisting of interleaved arrays of parallel tubes, with integrated synthetic fiber optic distributed temperature sensing (DTS) to enable localized detection of incipient faults. To evaluate performance of this design, we generate high-fidelity synthetic data using heat transfer computational modeling to simulate channel plugging, and introduce sensor noise for realistic modeling of measurements. The dataset comprises of 97% normal operation and 3% anomaly cases, with each anomaly class representing 1% of the data. These early anomalies result in overlapping temperature profiles between normal and faulty channels, producing a non-separable dataset that challenges traditional classification techniques. We benchmark eight supervised machine learning (ML) models and demonstrate that XGBoost achieves the highest performance. To improve transparency, we develop an explainability framework combining Shapley values and partially ordered sets (POSETs) to quantify and structurally analyze feature importance. This approach identifies both dominant predictors and ambiguous feature relationships, enhancing trust and interpretability. Our results highlight the potential of combining DTS and explainable ML with intelligent feature selection to improve predictive maintenance and ensure operational resilience in advanced nuclear systems.

Prantikos, Konstantinos [Argonne National Laborato↗
DOE OSTI2015

Stochastic methods for aerosol chemistry: a compact molecular description of functionalization and fragmentation in the heterogeneous oxidation of squalane aerosol by OH radicals

The heterogeneous oxidation of organic aerosol by hydroxyl radicals (OH) can proceed through two general pathways: functionalization, in which oxygen functional groups are added to the carbon skeleton, and fragmentation, in which carbon–carbon bonds are broken, producing higher volatility, lower molecular weight products. An ongoing challenge is to develop a quantitative molecular description of these pathways that connects the oxidative evolution of the average aerosol properties (e.g. size and hygroscopicity) to the transformation of free radical intermediates. In order to investigate the underlying molecular mechanism of aerosol oxidation, a relatively compact kinetics model is developed for the heterogeneous oxidation of squalane particles by OH using free radical intermediates that convert reactive hydrogen sites into oxygen functional groups. Stochastic simulation techniques are used to compare calculated system properties over ten oxidation lifetimes with the same properties measured in experiment. The time-dependent average squalane aerosol mass, volume, density, carbon number distribution of scission products, and the average elemental composition are predicted using known rate coefficients. For functionalization, the calculations reveal that the distribution of alcohol and carbonyl groups is controlled primarily by the initial OH abstraction rate and to lesser extent by the branching ratio between secondary peroxy radical product channels. For fragmentation, the calculations reveal that the formation of activated alkoxy radicals with neighboring functional groups controls the molecular decomposition, particularly at high O/C ratios. Finally, this kinetic scheme provides a framework for understanding the oxidation chemistry of a model organic aerosol and informs parameterizations of more complex systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Low thermal budget, photonic-cured compact TiO 2 layers for high-efficiency perovskite solar cells

Rapid advances in organometallic trihalide perovskite solar cells (PSCs) have positioned them to be one of the leading next generation photovoltaic technologies. However, most of the high-performance PSCs, particularly those using compact TiO 2 as an electron transport layer, require a high-temperature sintering step, which is not compatible with flexible polymer-based substrates. Considering the materials of interest for PSCs and corresponding device configurations, it is technologically imperative to fabricate high-efficiency cells at low thermal budget so that they can be realized on low-temperature plastic substrates. In this paper, we report on a new photonic curing technique that produces crystalline anatase-phase TiO 2 films on indium tin oxide-coated glass and flexible polyethylene terephthalate (PET) substrates. Finally, the planar PSCs, using photonic-cured TiO 2 films, exhibit PCEs as high as 15.0% and 11.2% on glass and flexible PET substrates, respectively, comparable to the device performance of PSCs incorporating furnace annealed TiO 2 films.

14 SOLAR ENERGY↗
DOE OSTI2020

Scalable open-air deposition of compact ETL TiO x on perovskite for fullerene-free solar cells

We report a scalable, low-temperature TiO x electron transport layer (ETL) produced directly on top of perovskite in an inverted architecture device by an open-air chemical vapor deposition (OA-CVD) process. The OA-CVD pyrolysis of a titanium ethoxide precursor forms a fully inorganic, conformal, and compact TiO x film. The resultant film is mechanically robust and exhibits a fracture toughness 30-fold higher than commonly used fullerene-based ETL films. The TiO x is an effective barrier layer against environmental degradation—unencapsulated devices with the TiO x ETL retain 60% of their initial efficiency after 1000 hours in ambient aging conditions—compared to devices with a fullerene ETL which were inoperable after 144 hours. Inverted architecture devices with an optimized TiO x ETL thickness of 70 nm exhibited high open-circuit voltages of 1.08 V. We comment on the photocatalytic properties of TiO x and the influence of an amorphous film on maximum power point stability.

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

Design of a multi-functional gel polymer electrolyte with a 3D compact stacked polymer micro-sphere matrix for high-performance lithium metal batteries

We report lithium metal batteries (LMBs) are considered as promising high energy density batteries. However, they still suffer from poor cyclability due to the instability of solid electrolyte interphases (SEIs) and Li dendrite issues. Herein, a novel 3D densely packed multifunctional crosslinked gel polymer electrolyte (PHGPE) has been synthesized by in situ copolymerization of pentaerythritol tetraacrylate and 2-hydroxyethyl acrylate in a liquid electrolyte via a thermal initiation method. Due to intermolecular hydrogen bonding in the frameworks, the PHGPE exhibits a 3D compact-stacked and crosslinked micro-sphere structure, which benefits the construction of homogeneous Li + flux, enabling uniform Li plating/stripping and formation of robust SEIs onto the lithium electrode. Benefiting from the above advantages, symmetric Li cells in the PHGPE deliver excellent cyclabilities of 6000 h at a current density of 1 mA cm -2 (1 mA h cm -2 ) and 7700 h at 0.5 mA cm -2 (2 mA h cm -2 ). Moreover, the PHGPE has such a wide electrochemical window that it is compatible with both high-voltage LiNi 0.8 Co 0.1 Mn 0.1 O 2 and sulfur cathodes to realize long cycle life. Additionally, a LiFePO 4 based pouch size LMB also presents promising performance. Therefore, this study of the PHGPE has opened a new avenue for high-performance LMBs with excellent versatility and practicality.

25 ENERGY STORAGE↗
DOE OSTI2023

Polarization and variability of compact sources measured in Planck time-ordered data

This paper introduces a new Planck Catalog of Polarized and Variable Compact Sources (PCCS-PV) comprising 153 sources, the majority of which are extragalactic. The data include both the total flux density and linear polarization measured by Planck with frequency coverage from 30 to 353 GHz, and temporal spacing ranging from days to years. We classify most sources as beamed, extragalactic radio sources; the catalog also includes several radio galaxies, Seyfert galaxies, and Galactic and Magellanic Cloud sources, including H II regions and planetary nebulae. An advanced extraction method applied directly to the multifrequency Planck time-ordered data, rather than the mission sky maps, was developed to allow an assessment of the variability of polarized sources. Our analysis of the time-ordered data from the Planck mission, tod2flux, allowed us to catalog the time-varying emission and polarization properties for these sources at the full range of polarized frequencies employed by Planck, 30-353 GHz. PCCS-PV provides the time-and frequency-dependent, polarized flux densities for all 153 sources. To illustrate some potential applications of the PCCS-PV, we conducted preliminary comparisons of our measurements of selected sources with published data from other astronomical instruments. In summary, we find general agreement between the Planck and the Institut de Radioastronomie Millimétrique (IRAM) polarization measurements as well as with the Metsähovi 37 GHz values at closely similar epochs. Here, these combined measurements also show the value of PCCS-PV results and the PCCS2 catalog for filling in missing spectral (or temporal) coverage and helping to define the spectral energy distributions of extragalactic sources. In turn, these results provide useful clues as to the physical properties of the sources.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Spatially resolved gas and stellar kinematics in compact starburst galaxies

The kinematics of galaxies provide valuable insights into their physics and assembly history. Kinematics are governed not only by the gravitational potential, but also by merger events and stellar feedback processes such as stellar winds and supernova explosions. We aim to identify what governs the kinematics in a sample of SDSS-selected nearby starburst galaxies, by obtaining spatially resolved measurements of the gas and stellar kinematics. We obtained near-infrared integral-field K-band spectroscopy with VLT/SINFONI for 15 compact starburst galaxies. We derived the integrated as well as spatially resolved stellar and gas kinematics. The stellar kinematics were derived from the CO absorption bands, and Paα and Brγ emission lines were used for the gas kinematics. Based on the integrated spectra, we find that the majority of galaxies have gas and stellar velocity dispersion that are comparable. A spatially resolved comparison shows that the six galaxies that deviate show evidence for a bulge or stellar feedback. Two galaxies are identified as mergers based on their double-peaked emission lines. In our sample, we find a negative correlation between the ratio of the rotational velocity over the velocity dispersion (v rot /σ) and the star formation rate surface density. We propose a scenario where the global kinematics of the galaxies are determined by gravitational instabilities that affect both the stars and gas. This process could be driven by mergers or accretion events. Effects of stellar feedback on the ionised gas are more localised and detected only in the spatially resolved analysis. The mass derived from the velocity dispersion provides a reliable mass even if the galaxy cannot be spatially resolved. The technique used in this paper is applicable to galaxies at low and high redshift with the next generation of infrared-focussed telescopes (JWST and ELT).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

The upgrade and re-validation of the Compact Muon Solenoid Electromagnetic Calorimeter Control and Safety Systems during the Second Long Shutdown of the Large Hadron Collider at CERN

The Electromagnetic Calorimeter (ECAL) is one of the subdetectors of the Compact Muon Solenoid (CMS), a general-purpose particle detector at the CERN Large Hadron Collider (LHC). The CMS ECAL Detector Control System (DCS) and the CMS ECAL Safety System (ESS) have supported the detector operations and ensured the detector’s integrity since the CMS commissioning phase, more than 10 years ago. Over this long period, several changes to both systems were necessary to correct issues, extend functionality and keep them in-line with current hardware technologies and the evolution of software platforms. Due to the constraints imposed on significant changes to a running system, major hardware and software upgrades were therefore deferred to the second LHC Long Shutdown (LS2). This paper presents the architectures of the CMS ECAL control and safety systems, discusses the ongoing and planned upgrades, details implementation processes and validation methods and highlights the expectations for the post-LS2 systems.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Development of a compact thermal lithium atom beam source for measurements of electron velocity distribution function anisotropy in electron cyclotron resonance plasmas

The anisotropy of the electron velocity distribution function (EVDF) in plasmas can be deduced from the polarization of emissions induced by anisotropic electron-impact excitation. In this paper, we develop a compact thermal lithium atom beam source for spatially resolved measurements of the EVDF anisotropy in electron cyclotron resonance (ECR) plasmas. The beam system is designed such that the ejected beam has a slab shape, and the beam direction is variable. The divergence and flux of the beam are evaluated by experiments and calculations. The developed beam system is installed in an ECR plasma device with a cusp magnetic field, and the LiI 2s–2p emission (670.8 nm) is observed in low-pressure helium plasma. The two-dimensional distributions of the degree and direction of the polarization in the LiI emission are measured by a polarization imaging system. The evaluated polarization distribution suggests the spatial variation of the EVDF anisotropy.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗