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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Low‐Loss Tunable Infrared Plasmons in the High‐Mobility Perovskite (Ba,La)SnO 3

Abstract BaSnO 3 exhibits the highest carrier mobility among perovskite oxides, making it ideal for oxide electronics. Collective charge carrier oscillations known as plasmons are expected to arise in this material, thus providing a tool to control the nanoscale optical field for optoelectronics applications. Here, the existence of relatively long‐lived plasmons supported by high‐mobility charge carriers in La‐doped BaSnO 3 (BLSO) is demonstrated. By exploiting the high spatial and energy resolution of electron energy‐loss spectroscopy with a focused beam in a scanning transmission electron microscope, the dispersion, confinement ratio, and damping of infrared localized surface plasmons (LSPs) in BLSO nanoparticles are systematically investigated. It is found that LSPs in BLSO exhibit a high degree of spatial confinement compared to those sustained by noble metals and have relatively low losses and high quality factors with respect to other doped oxides. Further analysis clarifies the relation between plasmon damping and carrier mobility in BLSO. The results support the use of nanostructured degenerate semiconductors for plasmonic applications in the infrared region and establish a solid alternative to more traditional plasmonic materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Counterintuitive Trend of Intrusion Pressure with Temperature in the Hydrophobic Cu 2 (tebpz) MOF

Liquid porosimetry experiments reveal a peculiar trend of the intrusion pressure of water in hydrophobic Cu 2 (3,3',5,5'-tetraethyl-4,4'-bipyrazolate) MOF. At lower temperature (T) range, the intrusion pressure (P i ) increases with T. For higher T values, P i first reaches a maximum and then decreases. This is at odds with the Young–Laplace law, which for systems showing a continuous decrease of contact angle with T predicts a corresponding reduction of the intrusion pressure. Though the Young–Laplace law is not expected to provide quantitative predictions at the subnanoscale of Cu 2 (tebpz) pores, the physical intuition suggests that to a reduction of their hydrophobicity corresponds a reduction of the P i . Molecular dynamics simulations and sychrothron experiments allowed to clarify the mechanism of the peculiar trend of P i with T. At increasing temperatures the vapor density within the MOF’ pores grows significantly, bringing the corresponding partial pressure to ≈5 MPa. This pressure, which is consistent with the shift of P i observed in liquid porosimetry, represents a threshold to be overcame before intrusion takes place. Beyond some value of temperature, the phenomenon of reduction of hydrophobicity (and water surface tension) dominated over the opposite effect of increase of vapor pressure and P i inverts its trend with T.

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

Regulation of Electron Cloud Density by Electronic Effects of Substituents to Optimize Photocatalytic H 2 Evolution of Carbon Dots

Carbon dots (CDs) have a wide light absorption range, which are promising candidates for photocatalytic water splitting H 2 evolution, but they show low activity for hydrogen evolution reaction (HER) due to the slow transfer efficiencies of photogenerated carriers. The electron cloud density of photocatalyst is essential for the separation and migration of photogenerated carriers. In this study, the effect mechanism of electron cloud density regulated by the substituents with different electronic effects on the photocatalytic HER of glucose-based CDs is clarified. CDs-SO 3 H and CDs-OH are first obtained by introducing electron-drawing group (–SO 3 H) and electron-donating group (–OH) using a tailoring post-processing strategy. Experimental results show that the H 2 yield catalyzed by CDs-SO 3 H is 89.95 µmol•g –1 in 4 h, which is about four times that of CDs, and 7.4 times that of CDs-OH. The –SO 3 H induces a much negative energy band and high electron cloud density on CDs edges, promoting the separation and transfer of photogenerated carriers; while the CDs-OH exhibits a high positive charge density and an upward energy band, hindering the surface complexation of electron-hole pairs and HER. Furthermore, this study will provide an insight into the design of CDs catalysts with efficient photocatalytic HER at a molecular level.

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

Microstructure‐Dependent Sodium Storage Mechanisms in Hard Carbon Anodes

Sustainable energy storage is essential to support the transition to renewables and meet the increasing demand for energy. Sodium‐ion batteries (NIBs) are attractive for grid‐scale energy storage due to the abundance and low cost of sodium, sustainability of other battery components, and electrochemical performance. Hard carbon (HC) is a leading anode material for NIBs, but its complex microstructure complicates the understanding of sodium storage mechanisms. Using X‐ray total scattering and density functional theory calculations, this study clarifies how HC's microstructural variations influence sodium storage across the slope (high potential) and plateau (low potential) regions of the potential capacity curve. In the slope region, sodium initially adsorbs at high‐binding energy defect sites and subsequently intercalates between graphene layers, adsorbing at low‐binding energy defect sites, correlating with different slopes observed during initial sodiation. Initial irreversibility arises from sodium trapping at surface defects and solid electrolyte interface formation. In the plateau region, sodium simultaneously intercalates and fills pores, influenced by pore size, interlayer spacing, and defect concentration. HCs with larger pore sizes form larger sodium clusters. In conclusion, the proposed mechanism underscores the role of microstructure engineering in enhancing HC performance and advancing NIBs for grid‐scale energy storage.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Microwave‐Assisted Synthesis of SrTiO 3 Nanocuboids without TiCl 4

Strontium titanate (STO) nanocuboids are a novel support for Pt nanoparticle catalysts (Pt/STO). The first of many steps in commercializing Pt/STO will be developing a scalable, environmentally sustainable, and cost‐effective STO nanocuboid synthesis. Herein, Sr–Ti–OH mixtures are synthesized from various Sr 2+ and Ti 4+ reagents and treated by convection‐ and microwave‐assisted heating to obtain STO nanoparticles. These experiments clarify how phase composition of the prehydrothermal Sr–Ti–OH mixture and choice of heating method affect final nanoparticle morphology. In Sr–Ti–OH mixtures synthesized with TiCl 4 , STO is the most stable phase and precipitates prior to heating, while titania sol–gels are the most stable phase when other Ti 4+ sources are used. STO nanocrystals always form when Sr–Ti–OH mixtures are treated by convection heating, though nanocuboids are only observed if STO precipitates from the Sr–Ti–OH mixture. Microwave‐assisted hydrothermal treatment more rapidly heats the precursor solution, and thus, STO nanocuboids can form from a variety of Sr–Ti–OH mixtures regardless of mixture composition. Two microwave syntheses of STO nanocuboids are reported: one which uses TiCl 4 as a Ti 4+ source, and another that uses titanium(IV) bis(ammonium lactato) dihydroxide ([NH 4 CH 3 CH(O)CO 2 ] 2 Ti(OH) 2 ), a water‐stable Ti 4+ complex.

Peczak, Ian L.↗
DOE OSTI2023

Substrate-Driven Catalyst Reducibility for Oxygen Evolution and Its Effect on the Operation of Proton Exchange Membrane Water Electrolyzers

To increase the efficiency of hydrogen production by proton exchange membrane water electrolyzers (PEMWEs), the relationships between the specific activity and stability of the membrane–electrode assembly (MEA) must be clarified. Ir oxide electrodeposited on Ti substrate is used as an oxygen electrode, and its electronic properties and electrochemical behavior in PEMWE operation are observed. The electrode, fabricated through a facile strategy based on annealing in the air atmosphere, enhances the specific oxygen evolution reaction (OER) activity and stability in PEMWE operation. Furthermore, the electronic catalyst–substrate interactions associated with different reducibilities in the heteroatom system are studied. The morphology, electronic properties, and chemical state of the oxygen electrode are investigated through X-ray spectroscopy, microscopy techniques, and computational analyses. Thermal treatment of the catalyst-coated substrate decreases the bulk oxidation state of Ir and increases the surface oxidation state. According to the electrochemical and physical behavior analyses of PEMWEs, the oxygen content in the Ir oxide structure, which defines the OER activity and its stability, is influenced by the crystalline structure and formation of a stable interface between the catalyst and substrate. The outcomes can facilitate the development of strategies for enhancing the performance of PEMWEs and designing rational MEAs.

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

Fluorescence Microscopic Investigations of Molecular Dynamics in Self–Assembled Nanostructures

Many analytical methods employ self-assembled nanostructured materials as chemical recognition media. Molecular permeation through these materials exhibits unique selectivity owing to nanoconfinement-induced enhancement of permeant–nanostructure interactions. This Personal Account introduces our efforts to investigate the detailed dynamics of single or a small number of molecules in nanostructured materials. Here, we developed new experimental and analysis approaches built upon laser-based fluorescence microscopy to measure the detailed translational and orientational dynamics of molecules diffusing in horizontally-oriented, cylindrical nanostructures, including surfactant micelles, silica mesopores, block copolymer microdomains, and bolaamphiphile-based organic nanotubes. Our studies clarified nanoscale details on the structural/chemical heterogeneity of the nanostructures, and their impacts on molecular mass transport dynamics.

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

Highly accelerated life testing (HALT): A review from a statistical perspective

Despite its use in one form or another for at least four decades, HALT and related techniques [e.g., highly accelerated-stress screening (HASS) and stress audits (HASA)] are not well understood within the statistical community and remain controversial. This largely reflects a conflict in motivation between engineers, testing under harsh conditions to discover and eliminate failure modes, and statisticians, taking a more cautious approach to develop quantitative estimates of parameters such as mean time between failures (MTBF). Here, this review article will clarify HALT concepts and methods and explain where it fits within the universe of methods that involve the application of accelerating factors to compress the time required to evaluate or enhance product reliability. A major distinction is between methods such as HALT, a high-stress test-analyze-fix-test iterative process directed at improving reliability by discovering and fixing weak points in a design, and quantitative accelerated life testing (QALT), whose goal is the estimation of product life for a fixed design. We discuss methods such as physics of failure that offer some hope of bridging the gap between the qualitative nature of HALT, and purely quantitative statistical methods. We present a variety of engineering applications of HALT including metal fatigue, piping and pressure vessels, structural damage, radiation damage, and rotating machinery. We also discuss potential synergies between HALT and QALT, such as rapid identification, through HALT, of failure modes requiring quantitative analysis. For further study, extensive references to the applicable literature are provided as well as an appendix that describes related methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Soil Biogeochemistry

Depending upon type and pedogenic stage, soils are subject to biotic and abiotic interactions of complex nature depending on type, nature and specific properties. Soil biogeochemistry involves the study of elemental cycling as mediated by complex and inseparable interactions between the biotic (living) and abiotic (non-living) components of soils. Human activities have substantially altered biogeochemical cycling of several key elements including carbon, nitrogen, phosphorus, potassium, and other secondary and minor nutrients over the past few decades, which, in turn, had serious environmental consequences. The present chapter outlines the soil biogeochemical investigations conducted within Indian subcontinent in both natural ecosystems and managed agricultural systems and addresses the state-of-the-art in order to understand the undergoing biogeochemical reactions. Here, we sought to clarify complex interactions generally occurred during biogeochemical transformations of an element (or compound) of interest within the type-specific soil. Further, we emphasized the importance of advancing our understanding of feedback loops in soil biogeochemical processes as altered by anthropogenic perturbations in tropical and sub-tropical soils of India. Overall, this chapter is broadly focused on the nutrient cycling, which is followed by more specific topics like “soil microbiology,” “soil biodiversity,” and “soil biotechnology.”

Sihi, Debjani↗
DOE OSTI2023

Factors Influencing Propensity for Stress Relaxation Cracking in Inconel® Alloy 740H® and Practical Guidance for Applications

Inconel® alloy 740H® (UNS N07740) was the first age-hardenable nickel-based alloy approved by the ASME Boiler & Pressure Vessel Code for use in pressure-boundary applications. In recent years, advanced energy systems such as supercritical CO2 power cycles have utilized alloy 740H in large demonstration projects driven by the requirement for higher fluid temperatures and pressures. Stress relaxation cracking (SRxC) following post-weld heat-treatment (PWHT), also known as strain age cracking (SAC), has been identified in a limited number of weldments during these industrial builds resulting in focused research to further clarify factors influencing this cracking tendency. This paper will summarize some of the findings from shop and field fabrication leading to successful welds and characteristics of observed SRxC. Laboratory experiments supported by microstructural characterization will be presented to highlight the importance of variables such as strain, material starting condition, and PWHT temperatures. Finally, the results will be summarized within the context of practical guidance for industry to successfully weld the material in boiler, heat exchanger, and piping applications.

14 SOLAR ENERGY↗
DOE OSTI2020

Multi-channel direct detection of light dark matter: theoretical framework

We present a unified theoretical framework for computing spin-independent direct detection rates via various channels relevant for sub-GeV dark matter — nuclear re- coils, electron transitions and single phonon excitations. Despite the very different physics involved, in each case the rate factorizes into the particle-level matrix element squared, and an integral over a target material- and channel-specific dynamic structure factor. We show how the dynamic structure factor can be derived in all three cases following the same procedure, and extend previous results in the literature in several aspects. For electron transitions, we incorporate directional dependence and point out anisotropic target materials with strong daily modulation in the scattering rate. For single phonon excitations, we present a new derivation of the rate formula from first principles for generic spin-independent couplings, and include the first calculation of phonon excitation through electron couplings. We also discuss the interplay between single phonon excitations and nuclear recoils, and clarify the role of Umklapp processes, which can dominate the single phonon production rate for dark matter heavier than an MeV. Our results highlight the complementarity between various search channels in probing different kinematic regimes of dark matter scattering, and provide a common reference to connect dark matter theories with ongoing and future direct detection experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Comments on the quantum field theory of the Coulomb gas formalism

The holomorphic Coulomb gas formalism, as developed by Feigin-Fuchs, Dotsenko-Fateev and Felder, is a set of rules for computing minimal model observables using free field techniques. We attempt to derive and clarify these rules using standard techniques of quantum field theory. We begin with a careful examination of the timelike linear dilaton. Although the background charge of the model breaks the scalar field’s continuous shift symmetry, the exponential of the action remains invariant under a discrete shift because the background charge is imaginary. Gauging this symmetry makes the dilaton compact and introduces winding modes into the spectrum. One of these winding operators corresponds to the anti-holomorphic completion of the BRST current first introduced by Felder, and the full left/right cohomology of this BRST charge isolates the irreducible representations of the Virasoro algebra within the degenerate Fock space of the linear dilaton. The “supertrace” in the BRST complex reproduces the minimal model partition function and exhibits delicate cancellations between states with both momentum and winding. The model at the radius $R=\sqrt{pp^{\prime }}$ has two marginal operators corresponding to the Dotsenko-Fateev “screening charges”. Deforming by them, we obtain a model that might be called a “BRST quotiented compact timelike Liouville theory”. The Hamiltonian of the zero-mode quantum mechanics of this model is not Hermitian, but it is PT -symmetric and exactly solvable. Its eigenfunctions have support on an infinite number of plane waves, suggesting an infinite reduction in the number of independent states in the full quantum field theory. Applying conformal perturbation theory to the exponential interactions reproduces the Coulomb gas calculations of minimal model correlation functions. In contrast to spacelike Liouville, these “resonance correlators” are finite because the zero mode is compact. We comment on subtleties regarding the reflection operator identification, as well as naive violations of truncation in correlators with multiple reflection operators inserted. This work is part of an attempt to understand the relationship between the JT model of two dimen- sional gravity and the worldsheet description of the (2 , p ) minimal string as suggested by Seiberg and Stanford.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Universality in asymptotic bounds and its saturation in 2D CFT

We study asymptotics of three point coefficients (light-light-heavy) and two point correlators in heavy states in unitary, compact 2D CFTs. We prove an upper and lower bound on such quantities using numerically assisted Tauberian techniques. We obtain an optimal upper bound on the spectrum of operators appearing with fixed spin from the OPE of two identical scalars. While all the CFTs obey this bound, rational CFTs come close to saturating it. This mimics the scenario of bounds on asymptotic density of states and thereby pronounces an universal feature in asymptotics of 2D CFTs. Next, we clarify the role of smearing in interpreting the asymptotic results pertaining to considerations of eigenstate thermalization in 2D CFTs. In the context of light-light-heavy three point coefficients, we find that the order one number in the bound is sensitive to how close the light operators are from the $\frac{c}{32}$ threshold. In context of two point correlator in heavy state, we find the presence of an enigmatic regime which separates the AdS 3 thermal physics and the BTZ black hole physics. Furthermore, we present some new numerical results on the behaviour of spherical conformal block.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Physical instabilities and the phase of the Euclidean path integral

We compute the phase of the Euclidean gravity partition function on manifolds of the form S p × M q . We find that the total phase is equal to the phase in pure gravity on S p times an extra phase that arises from negative mass squared fields that we obtain when we perform a Kaluza-Klein reduction to S p . The latter can be matched to the phase expected for physical negative modes seen by a static path observer in dS p . In the case of S p × S q the answer can be interpreted in terms of a computation in the static patch of dS p or dS q . We also provide the phase when we have a product of many spheres. We clarify the procedure for determining the precise phase factor. We discuss some aspects of the interpretation of this phase.

Models of Quantum Gravity↗
DOE OSTI2023

Loop-level double-copy for massive fermions in the fundamental

We find that unitarity cuts and the duality between color and kinematics are sufficient constraints to bootstrap D-dimensional QCD scattering amplitudes starting from three-particle tree-level. Specifically, we calculate tree level amplitudes through six-points, as well as the four-point one-loop correction for massive fermions in the fundamental representation of the gauge group — constructing a color-dual representation of the latter for the first time. To do so we clarify a prescription for functional kinematic ansatze involving fermionic matter. The advantages of color-dual calculation, familiar from particles in the adjoint, also apply here: only a small number of basis topologies must be constrained via physical information of the theory, and algebraic relations propagate this to a full solution. As all the QCD amplitudes we construct here are color-dual, they trivially generate D-dimensional amplitudes in gravitational theories via double-copy construction.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Interacting chiral form field theories and $$ T\overline{T} $$-like flows in six and higher dimensions

Abstract In this paper we initiate the study of six-dimensional non-linear chiral two-form gauge theories as deformations of free chiral two-form gauge theories driven by stress-tensor$$ T\overline{T} $$ T T ¯ -like flows. To lay the background for this study, we elaborate on the relationship between different Lagrangian formulations of duality-invariantp-form theories and corresponding$$ T\overline{T} $$ T T ¯ -like flows in various dimensions. To this end we propose a new formulation which (i) is a generalization of the four-dimensional construction by Ivanov, Nurmagambetov and Zupnik (INZ) and (ii) turns into the PST formulation upon integrating out an auxiliary self-dual field. We elucidate space-time covariant properties of the PST formulation by clarifying and making use of its relation to the INZ-type formulation and to a so-called “clone” construction.

Physics↗
DOE OSTI2025

On observers in holographic maps

A straightforward gravitational path integral calculation implies that closed universes are trivial, described by a one dimensional Hilbert space. Two recent papers by Harlow-Usatyuk-Zhao and Abdalla-Antonini-Iliesiu-Levine have sought to ameliorate this issue by defining special rules to incorporate observers into the path integral. However, the proposed rules are different, leading to differing results for the Hilbert space dimension. Moreover, the former work offers a holographic map realized using a non-isometric code construction to complement their path integral result and clarify its physics. In this work, we propose a non-isometric code that implements the second construction, allowing thorough comparison. Our prescription may be thought of as simply removing the portion of the map that acts on the observer, while preserving the rest, creating an effective holographic boundary at the observer-environment interface. This proposal can be directly applied to general holographic maps for both open and closed universes of any dimension.

AdS-CFT correspondence↗
DOE OSTI2021

Composing effective prediction at five points

Color-kinematics duality in the adjoint has proven key to the relationship between gauge and gravity theory scattering amplitude predictions. In recent work, we demonstrated that at four-point tree-level, a small number of color-dual EFT building blocks could encode all higher-derivative single-trace massless corrections to gauge and gravity theories compatible with adjoint double-copy. One critical aspect was the trivialization of building higher-derivative color-weights — indeed, it is the mixing of kinematics with non-adjoint-type color-weights (like the permutation-invariant d 4 ) which permits description via adjoint double-copy. Here we find that such ideas clarify the predictions of local five-point higher-dimensional operators as well. We demonstrate how a single scalar building block can be combined with color structures to build higher-derivative color factors that generate, through double copy, the amplitudes associated with higher-derivative gauge-theory operators. These may then be suitably mapped, through another double-copy, to higher-derivative corrections in gravity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗