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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 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Versatile coating with multifunctional performance for solar steam generation

In this work, a new kind of material, composite complex coating (CCC), with multifunctional performance has been developed for solar steam generation. The CCC has many advantages: (a) Scalability. The fabrication process is facile and mild; it can be realized in aqueous solution at room temperature, without high pressure, toxic organic solvents, or complex equipment. (b) Cost-effectiveness. The reagents used for preparation of CCC are low-cost and readily available. (c) Universality and stability. CCC firmly adheres on surfaces of various substrates with diverse shapes (cotton, filter paper, wood, polyurethane sponge, and even chemically inert and highly hydrophobic polyvinylidene fluoride membranes), and can withstand rinsing treatment (3000 r/min for 96 h), cyclic frost-thaw test (-18 °C ⇌ 30 °C, 90 times), and both high and low pH environments. In addition, many other reported coatings, such as carbon black, fail under similar process strain. (d) Anti-crude oil-fouling property. The CCC possesses stable superhydrophilicity and underwater superoleophobicity, which collectively endow substrates with the ability to resist fouling by oils. (e) Broad and strong light absorption. CCC can transform various substrates with diverse shapes into black materials with broadband light absorption due to its d-d transitions and rough surface. Together, these properties of CCC enable substrates with nearly any structural design to be easily transformed into photothermal materials for efficient solar steam generation. Furthermore, as a proof of concept, poplar wood is treated with CCC, achieving a water evaporation rate of ~1.8 kg m-2 h-1 (one sun), which is a record among wood-based photothermal materials.

14 SOLAR ENERGY↗
DOE OSTI2024

Analytic Gradients for Equation-of-Motion Coupled Cluster with Single, Double, and Perturbative Triple Excitations

Understanding the process of molecular photoexcitation is crucial in various fields, including drug development, materials science, photovoltaics, and more. The electronic vertical excitation energy is a critical property, for example in determining the singlet-triplet gap of chromophores. However, a full understanding of excited-state processes requires additional explorations of the excited-state potential energy surface and electronic properties, which is greatly aided by the availability of analytic energy gradients. Owing to its robust high accuracy over a wide range of chemical problems, equation-of-motion coupled-cluster with single and double excitations (EOM-CCSD) is a powerful method for predicting excited state properties, and the implementation of analytic gradients of many EOM-CCSD (excitation energies, ionization potentials, electron attachment energies, etc.) along with numerous successful applications high- lights the flexibility of the method. In specific cases where a higher level of accuracy is needed or in more complex electronic structures, the inclusion of triple excitations becomes essential, for example, in the EOM-CCSD* approach of Saeh and Stanton. In this work, we derive and implement for the first time the analytic gradients of EOMEE-CCSD*, which also provides a template for analytic gradients of related ex- cited state methods with perturbative triple excitations. Here, the capabilities of analytic EOMEE-CCSD* gradients are illustrated by several representative examples.

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

Coloring Tetrahedral Semiconductors: Synthesis and Photoluminescence Enhancement of Ternary II-III 2 -VI 4 Colloidal Nanocrystals

Ternary tetrahedral II-III 2 -VI 4 semiconductors, where II is Zn or Cd, III In or Ga, and VI S, Se, or Te, are of interest in UV radiation detectors in medicine and space physics as well as CO 2 photoreduction under visible light. We synthesize colloidal II-III 2 -VI 4 semiconductor nanocrystals from readily available precursors and ascertain their ternary nature by structural and spectroscopic methods, including 77 Se solid-state NMR spectroscopy. The pyramidally shaped nanocrystals range between 2 and 12 nm and exhibit optical gaps of 2–3.9 eV. In the presence of excess anions on the particle surface, treatment with Lewis acidic, Z-type ligands results in better passivation and enhanced photoluminescence. Electronic structure calculations reveal the most stable, lowest energy polymorphs and coloring patterns. This work will pave the way toward more environmentally friendly, ternary semiconductors for optoelectronics and electrocatalysis.

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

Robust Atomic-Resolution Imaging of Lithium in Battery Materials by Center-of-Mass Scanning Transmission Electron Microscopy

The performance of energy storage materials is often governed by their structure at the atomic scale. Conventional electron microscopy can provide detailed information about materials at these length scales, but direct imaging of light elements such as lithium presents a challenge. While several recent techniques allow lithium columns to be distinguished, these typically either involve complex contrast mechanisms that make image interpretation difficult or require significant expertise to perform. In this work, we demonstrate how center-of-mass scanning transmission electron microscopy (CoM-STEM) provides an enhanced ability for simultaneous imaging of lithium and heavier element columns in lithium ion conductors. Through a combination of experiments and multislice electron scattering calculations, we show that CoM-STEM is straightforward to perform and produces directly interpretable contrast for thin samples, while being more robust to variations in experimental parameters than previously demonstrated techniques. As a result, CoM-STEM is positioned to become a reliable and facile method for directly probing all elements within energy storage materials at the atomic scale.

25 ENERGY STORAGE↗
DOE OSTI2021

Convection-Permitting Simulations With the E3SM Global Atmosphere Model

This paper describes the first implementation of the Δx = 3.25 km version of the Energy Exascale Earth System Model (E3SM) global atmosphere model and its behavior in a 40-day prescribed-sea-surface-temperature simulation (January 20 through February 28, 2020). This simulation was performed as part of the DYnamics of the Atmospheric general circulation Modeled On Non-hydrostatic Domains (DYAMOND) Phase 2 model intercomparison. Effective resolution is found to be ~ 6x the horizontal dynamics grid resolution despite using a coarser grid for physical parameterizations. Despite this new model being in an immature and untuned state, moving to 3.25 km grid spacing solves several long-standing problems with the E3SM model. In particular, Amazon precipitation is much more realistic, the frequency of light and heavy precipitation is improved, agreement between the simulated and observed diurnal cycle of tropical precipitation is excellent, and the vertical structure of tropical convection and coastal stratocumulus look good. In addition, the new model is able to capture the frequency and structure of important weather events (e.g., tropical cyclones, extratropical cyclones including atmospheric rivers, and cold air outbreaks). Interestingly, this model does not get rid of the erroneous southern branch of the intertropical convergence zone nor the tendency for strongest convection to occur over the Maritime Continent rather than the West Pacific, both of which are classic climate model biases. Several other problems with the simulation are identified, underscoring the fact that this model is a work in progress.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Synchronous micromechanically resonant programmable photonic circuits

Abstract Programmable photonic integrated circuits (PICs) are emerging as powerful tools for control of light, with applications in quantum information processing, optical range finding, and artificial intelligence. Low-power implementations of these PICs involve micromechanical structures driven capacitively or piezoelectrically but are often limited in modulation bandwidth by mechanical resonances and high operating voltages. Here we introduce a synchronous, micromechanically resonant design architecture for programmable PICs and a proof-of-principle 1×8 photonic switch using piezoelectric optical phase shifters. Our design purposefully exploits high-frequency mechanical resonances and optically broadband components for larger modulation responses on the order of the mechanical quality factor Q m while maintaining fast switching speeds. We experimentally show switching cycles of all 8 channels spaced by approximately 11 ns and operating at 4.6 dB average modulation enhancement. Future advances in micromechanical devices with high Q m , which can exceed 10000, should enable an improved series of low-voltage and high-speed programmable PICs.

42 ENGINEERING↗
DOE OSTI2023

Chiral photocurrent in a Quasi-1D TiS 3 (001) phototransistor

The presence of in-plane chiral effects, hence spin–orbit coupling, is evident in the changes in the photocurrent produced in a TiS 3 (001) field-effect phototransistor with left versus right circularly polarized light. The direction of the photocurrent is protected by the presence of strong spin–orbit coupling and the anisotropy of the band structure as indicated in NanoARPES measurements. As hsown here, dark electronic transport measurements indicate that TiS 3 is n-type and has an electron mobility in the range of 1–6 cm 2 V –1 s –1 . I–V measurements under laser illumination indicate the photocurrent exhibits a bias directionality dependence, reminiscent of bipolar spin diode behavior. Because the TiS 3 contains no heavy elements, the presence of spin–orbit coupling must be attributed to the observed loss of inversion symmetry at the TiS 3 (001) surface.

Phototransistor Materials↗
DOE OSTI2020

Limited modified gravity

In this work, we systematically assess several limiting cases of modified gravity, where particular theoretical or observational conditions hold. This framework includes the well known scalar-tensor gravity and No Slip Gravity and No Run Gravity, and we extend it to three new limits: only Run, Only Light, and Only Growth Gravities. These limits give simplifications that allow deeper understanding of modified gravity, including demonstration that gravitational effects on light and matter can have opposite signs in their deviation from general relativity. We also show observational predictions for the different cosmic structure growth rates fσ8 and the ratio of gravitational wave standard siren luminosity to photon standard candle luminosity distance relations, defining a new statistic DG that emphasizes their complementarity and ability to distinguish models.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Discovery of new isotopes in the fragmentation of 82 Se and insights into their production

The production cross sections of neutron-rich nuclei for elements just above 60 Ca were measured at the Facility for Rare Isotope Beams (FRIB). Four previously unobserved isotopes ( 63 Sc, 65,66 Ti, and 68 V) were produced, separated, and identified for the first time using the Advanced Rare Isotope Separator (ARIS). One event was found to be consistent with 61 Ca . The new isotopes were created through the interaction of an 82 Se beam with a carbon target at an energy of 228 MeV/𝑢 and a primary beam current of 1.07 p⁢µ⁢A. The event-by-event particle identification of the mass number (𝐴), atomic number (𝑍), and ionic charge state (𝑞) for the reaction products was achieved by combining measurements of energy loss, time of flight, magnetic rigidity, and total kinetic energy. This successful search for new isotopes, conducted at the beginning of FRIB's third year of operation, highlights the facility's discovery potential, which will continue to grow as the beam current increases. The production cross sections were analyzed in the context of the newly developed Δ⁢𝐵⁢𝐸 systematics that provides trends in neutron-rich regions and increased sensitivity to nuclear binding, an important nuclear structure observable. Furthermore, the new systematics addresses gaps in 𝑄 𝑔 -based methods commonly used to interpret the production cross sections of light neutron-rich elements, and provides an efficient empirical approach to describe cross-section trends across isotopic chains. Good agreement with the measured data was obtained when the Δ⁢𝐵⁢𝐸 systematics and abrasion-ablation calculations were performed using the Hartree-Fock-Bogoliubov (HFB-22) mass table.

59 ≤ A ≤ 89↗
DOE OSTI2025

Flavor constraints in a generational three-Higgs-doublet model

We propose a three-Higgs-doublet model (3HDM) that goes beyond natural flavor conservation and in which each of the three Higgs doublets couples mainly to a single generation of fermions via nonstandard Yukawa structures. A hierarchy in the vacuum expectation values of the three Higgs doublets can partially address the Standard Model flavor puzzle. In light of the experimentally observed 125 GeV Higgs boson, we primarily work within a 3HDM alignment limit such that a Standard Model-like Higgs is recovered. In order to reproduce the observed Cabibbo–Kobayashi–Maskawa mixing among quarks, the neutral Higgs bosons of the theory necessarily mediate flavor changing neutral currents at the tree level. We consider constraints from neutral kaon, B meson, and D meson mixing as well as from the rare leptonic decays B s / B 0 / K L → μ + μ − / e + e − . We identify regions of parameter space in which the new physics Higgs bosons can be as light as a TeV or even lighter. Published by the American Physical Society 2025

Altmannshofer, Wolfgang (ORCID:0000000316212561)↗
DOE OSTI2022

Demand Driven Energy Management for PIPO Auxiliary Power Supply Architecture

In this paper, a demand driven energy management (DDEM) technique is implemented on modular parallel input parallel output DC/DC auxiliary power supply (APS) structure. In this method, modules are brought in/out of the operation making them operate under high loading conditions, avoiding low efficiency under light load. Such a method finds its application in power conservative systems with variable load. Implementation of DDEM and the energy saved is shown using APS comprised of two 15W commercially off-the-shelf DC-DC modules, with 100–1000 VDC input and 24 V output voltage. Along with the DDEM, the lifetime of the power stage devices is controlled minimizing their junction temperature swing through control of cooling system. This control method uses digital twin as interface to virtualize the power devices loading operation/ health condition. Accordingly, no extra sensor or closed loop control required to measure the junction temperature of the devices or feedback the losses to the cooling flow.

Azadeh, Yalda↗
DOE OSTI2021

Optics-on-a-chip for ultrafast manipulation of 350-MHz hard x-ray pulses

Microelectromechanical systems (MEMS) are miniature devices integrated into a vast range of industrial and consumer applications. Optical MEMS are developed for dynamic spatiotemporal control in lightwave manipulation and communication as modulators, switches, multiplexers, spectrometer, etc. However, they have not been shown to function similarly in sub-nm wavelength regimes, namely, with hard x-rays, as high-brilliance pulsed x-rays have proven powerful for addressing challenges in time-domain science, from energy conversion to neurobiological control. While desirable temporal properties of x-ray pulses can be enhanced by optics, conventional x-ray optics are inherently massive in size, hence, never dynamic. We demonstrate highly ultrafast x-ray optics-on-a-chip based on MEMS capable of modulating hard x-ray pulses exceeding 350 MHz, 10 3 × higher than any other mechanical modulator, with a pulse purity >10 6 without compromising the spectral brilliance. Moreover, the timing characteristics of the devices can be tuned on-the-fly to deliver optimal pulse properties to create a host of dynamic x-ray instruments and applications, impossible with traditional optics of 10 9 × bulkier and more massive. The advent of the ultrafast optics-on-a-chip heralds a new paradigm of x-ray photonics, time-domain science, and accelerator diagnostics, especially at not only the future-generation light sources that offer coherent and high-frequency pulses but also lab-based facilities that normally do not offer timing structures.

42 ENGINEERING↗
DOE OSTI2024

Probing New Physics with Tau Leptons using the CMS Detector

The Standard Model (SM) of particle physics is a thoroughly well-tested theory of all electroweak scale phenomena to date—the most recent test being the discovery of the long-predicted Higgs boson. However, there is much evidence to suggest that it is incomplete. On the formal side, the mass of the Higgs particle itself is perplexingly small, while the largest theoretical energy scale of the SM is 17 orders of magnitude larger, a puzzle known as the hierarchy problem. On the experimental side, among other things, the SM lacks a candidate for dark matter, which is now known to play an indispensable role in astrophysical large scale structure formation. Many theories that address the fundamental puzzles of the SM predict the existence of multiple Higgs bosons, including a very light boson that couples preferentially to third-generation fermions. Observation of this new light boson, either directly produced or in the decay of the recently discovered SM Higgs, would provide an unmistakable sign of new dynamics in nature. The research supported by this award used data collected by the Compact Muon Solenoid (CMS) detector at the Large Hadron Collider (LHC) to explore boosted di-tau signatures of a new light boson as a tool in the quest to understand the shortcomings of the SM. With a proton-proton collision energy of 13 trillion electron-volts (TeV) and peak instantaneous proton luminosity of over 10^34 collisions per square centimeter per second (cm –2 s –1 ), the LHC is the only facility in the world that could enable this line of research. The research sought to address the hierarchy problem and other shortcomings of the SM through a mixture of LHC data analysis, maintenance of the CMS detector to ensure high quality data, and contributions to the Phase 2 upgrade detector for the upcoming High Luminosity phase of the LHC (HL-LHC).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Mechanical Test Results and Microstructural Characterization of the Harvested and Baseline Archival Zion RPV Materials

The decommissioning of the Zion Units 1 and 2 Nuclear Generating Station in Zion, Illinois, presented a unique opportunity for developing a better understanding of materials degradation and other issues associated with extending the lifetime of existing nuclear power plants (NPPs) beyond 60 years of service. In support of extended service and current operations of the US nuclear reactor fleet, the Oak Ridge National Laboratory (ORNL), through the Department of Energy (DOE), Office of Nuclear Energy, Light Water Reactor Sustainability (LWRS) Program, coordinated with Zion Solutions, LLC, a subsidiary of Energy Solutions (ES), the selective procurement of materials, structures, and components, from the decommissioned reactors including multiple segments of the Zion Unit 1 Reactor Pressure Vessel (RPV).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

NanoMechanics: Elasticity and Friction in Nano‐Objects

A large scientific and technological effort is underway to investigate the properties of two‐dimensional (2D) materials to become building blocks in integrated nano‐electronic and photonic circuits, composites, coatings, energy harvesting nano‐ systems, nano‐sensors, and nano‐electro‐mechanical systems (NEMS).While several experiments and calculations have revealed exciting novel phenomena in these nanostructures, many scientific and technological questions remain open. In particular, understanding and controlling the structure and mechanical properties of 2D materials at the interface with a solid surface is of key importance to enable the aforementioned nanotechnologies, as well as to fulfill the potential of strain engineering to tailor their properties. The vision of this DoE research program was to investigate novel mechanical properties and phenomena in 1D and 2D materials with the overarching goal of defining a new basic understanding of mechanical behavior in nano and quantum systems. The group of the PI has developed in the last years several studies on the mechanical properties of Carbon nanotubes and oxide nanobelts, more recently the PI has focused her attention on the properties of two‐dimensional materials, such as graphene and MoS 2 , which are a few‐atomic‐layer thick films and hold a great potential for technological and energy applications. The most studied 2D material is graphene, existing as a single layer of graphite or a few‐layer thick epitaxial graphene film. Graphene possesses a large in‐plane Young’s modulus as well as high intrinsic carrier mobility, and high in‐plane thermal conductivity. Besides graphene, also 2D films of graphene oxide (GO), hexagonal Boron Nitride (h‐BN), and transition metal dichalcogenides such as MoS 2 exhibit unique and excellent properties and hold great promise for nanotechnology applications. This research program was aimed at developing a new basic understanding of the mechanical properties of 1D and 2D materials at the interface with solid substrates, with a focus on the role of defects, materials structure, and substrate interaction. Ultimately, we aimed at developing the basic knowledge and experimental tools for manipulating 1D and 2D materials’ structure, stacking, substrate interaction, defects, and number of layers to realize an entirely new class of ultra‐hard, ultra‐thin, and ultra‐light active materials with ad‐ hoc mechanical properties for a variety of applications.

2D Materials↗
DOE OSTI2025

Impact of Irradiation on Microstructure and Mechanical Properties of Materials Produced by Advanced Manufacturing

Advanced non-light water reactor designs, known as Generation IV (Gen IV) reactors, typically operate at higher temperatures and under more extreme radiation conditions than conventional light water reactors. A critical aspect of the successful deployment and advancement of Gen IV reactor designs is the selection of appropriate structural materials for specific applications, which necessitates the timely development of new materials and manufacturing processes. Advanced manufacturing (AM) offers numerous opportunities for innovative designs, enabling the production of high-performance components with potentially shorter development cycles compared to traditional manufacturing methods. However, a significant challenge in deploying AM technologies in the nuclear energy sector is the current lack of data on the irradiation performance of AM-produced components. This presentation will discuss neutron and ion irradiation results of AM materials, including stainless steel 316L, Grade 91, SA508, Inconel 718, and Inconel 625 materials. The materials were manufactured by AM, such as Powder Metallurgy Hot Isostatic Pressing (PM HIP), Laser Powder Bed Fusion (LPBF) and Directed Energy Deposition (DED). The effects of neutron irradiation on microstructure (e.g., dislocations, loops, and nanoclusters), tensile properties (e.g., strength and ductility), and ion irradiation on Irradiation-Assisted Stress Corrosion Cracking (IASCC) will be explored. Results are collected from several projects supported by the Nuclear Science User Facilities (NSUF) program.

36 - MATERIALS SCIENCE↗
DOE OSTI2025

Accurate Dark Energy Constraints via the Precise Characterization of Galaxy Intrinsic Alignment Coupled with Shear and Redshift Interference

One of the most fundamental mysteries we face in physics is understanding what the nature of the dark energy component of our Universe is that causes the accelerated expansion of space. A powerful way to study dark energy is via weak gravitational lensing due to large-scale structure in the Universe, which we observe as tiny distortions in the shapes of very distant galaxies due to the bending of light by foreground mass. The Dark Energy Survey (DES) and Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST) were designed to enable unprecedented measurements of these distortions in the shapes of galaxies to study dark energy. The intrinsic shapes of galaxies before they are distorted by weak gravitational lensing can cancel out some of the effects of lensing to obscure or bias what we infer about the nature of dark energy. This research program has led to improved image-level simulations of the Rubin Observatory LSST data. These simulations have made it possible to characterize for the first time the cosmic impact of these intrinsic shapes on biasing weak gravitational lensing calibration. This work will inform crucial improvements in methodology for studying dark energy with weak gravitational lensing at the precision promised by the the Rubin Observatory LSST over the next decade to ensure we are able to infer unbiased information about the nature of dark energy.

79 ASTRONOMY AND ASTROPHYSICS↗