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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 19 records

Near-Optimal Solutions for Day-Ahead Unit Commitment

Given the difficulty and the time pressure of solving unit commitment problems, near -optimal solutions (those with 0.1 or 0.001% optimality gaps) are often used in practice. The choice in which of the near -optimal solutions is used, however, is random. We investigate the impact of solution choice on the revenues obtained by generator owners across a variety of pricing schemes and problem instances.

market-clearing↗

Probing Plasmonic Near-Fields in Oxide-Modified Aluminum Nanocubes Using Photon-Induced Near-Field Electron Microscopy

Plasmonic nanoparticles generate strong electric fields near their surface upon photoexcitation, enabling applications in sensing, spectroscopy, and photocatalysis. Electron microscopy techniques – such as cathodoluminescence and electron energy loss spectroscopy – have been leveraged to produce nanoscale maps of localized surface plasmon (LSP) modes. More recently, photon-induced near-field electron microscopy (PINEM) has emerged as a powerful technique for imaging evanescent near-fields generated by ultrafast laser excitation. In this work, we employ PINEM within an ultrafast electron microscope, complemented by numerical calculations to investigate how optical polarization, surface modification, and light intensity affect the evanescent fields associated with LSPs on oxide-modified aluminum nanocubes. Polarization control of the incident light field enables spatial mapping of the nanocube’s LSPs at the single particle level. Systematic variation of the oxide layer thickness reveals that increased coating thickness correlates with a stronger PINEM signal and a greater energy gain of probing electrons. Additionally, higher light intensities at fixed polarization and oxide coating further amplify the PINEM signal. These findings demonstrate the utility of PINEM as a high-resolution technique for optical near-field imaging and spectroscopy of single plasmonic nanoparticles. The ability to probe single particle behavior offers new opportunities for advancing the design and characterization of nanophotonic and plasmonic materials.

PINEM↗

Over three decades, and counting, of near-surface turbulent flux measurements from the Atmospheric Radiation Measurement (ARM) user facility

Processes mediating the coupling of terrestrial, aquatic, biospheric, and atmospheric systems influence weather, climate, and ecosystem dynamics via transfer of energy, momentum, water, and carbon (or other species). These exchange processes are quantified by measurements of near-surface turbulent fluxes. Understanding processes at these interfaces provides insight toward understanding and predicting current and future states within the Earth system. The Atmospheric Radiation Measurement (ARM) user facility has been conducting measurements of near-surface turbulent fluxes since the early 1990s at long-term fixed locations and shorter-term mobile deployments across the Earth. ARM has utilized two established methods for conducting these measurements: energy balance Bowen ratio (EBBR) and eddy covariance (EC). Primary measurements from the former include sensible and latent heat flux, while the latter also measures fluxes of momentum and carbon (primarily carbon dioxide, with methane fluxes measured at two locations to date). The EBBR systems have been deployed at 22 locations, and, to date, the EC systems have been deployed at over 50 sites, with plans for additional novel site locations in the future. Herein, the history, evolution, and key aspects of these instrument systems are documented, along with information on data quality assurance and post-processing, as well as best use practices. Additionally, three data validation experiments were recently conducted, and their key findings are summarized. Finally, ancillary datasets acquired by ARM, which can contextualize and aid interpretation of the near-surface turbulent flux measurements, are discussed. The datasets described herein include the eddy correlation flux measurement system: 30ECOR (https://doi.org/10.5439/1879993, Sullivan et al., 1997), 30QCECOR (https://doi.org/10.5439/1097546, Gaustad, 2003), ECORSF (https://doi.org/10.5439/1494128, Sullivan et al., 2019a), and associated AmeriFlux and Methane Value-Added Product, AMCMETHANE (https://doi.org/10.5439/1508268, Billesbach, 2011); the energy balance Bowen ratio system: 30EBBR (https://doi.org/10.5439/1023895, Sullivan et al., 1993) and 30BAEBBR (https://doi.org/10.5439/1027268, Gaustad and Xie, 1993); and the carbon dioxide flux measurement system: CO2FLX (https://doi.org/10.5439/1287574, https://doi.org/10.5439/1287575, https://doi.org/10.5439/1287576, Koontz et al., 2015a, b, c; https://doi.org/10.5439/1989774, https://doi.org/10.5439/1989776, https://doi.org/10.5439/1992202, Biraud and Chan, 2002a, b, c). These data can be found by searching the above data stream names at https://adc.arm.gov/discovery/#/results/ (last access: 8 September 2025).

Sullivan, Ryan C. [Argonne National Laboratory (AN↗

Nonadiabatic Derivative Couplings through Multiple Franck–Condon Modes Dictate the Energy Gap Law for Near and Short-Wave Infrared Dye Molecules

Near infrared (NIR, 700–1000 nm) and short-wave infrared (SWIR, 1000–2000 nm) dye molecules exhibit significant nonradiative decay rates from the first singlet excited state to the ground state. While these trends can be empirically explained by a simple energy gap law, detailed mechanisms of nearly universal behavior have remained unsettled for many cases. Theoretical and experimental results for two representative NIR/SWIR dye molecules reported here clarify the key mechanism for the observed energy gap law behavior. It is shown that the first derivative nonadiabatic coupling terms serve as major coupling pathways for nonadiabatic decay processes from the first excited singlet state to the ground state for these NIR and SWIR dye molecules and that vibrational modes other than the highest frequency modes also make significant contributions to the rate. Finally, this assessment is corroborated by further theoretical comparison with possible alternative mechanisms of intersystem crossing to triplet states and also by comparison with experimental data for deuterated molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Near-infrared noise in intense electron bunches

This article investigates electron bunch density fluctuations in the 1 −10 μ⁢m wavelength range, focusing on their impact on coherent electron cooling (CEC) in hadron storage rings. In this study, we compare the shot-noise model with experimental observations using bandwidth-filtered near-infrared optical transition radiation (OTR) photodiode signals, where the transverse bunch size is much larger than the OTR wavelength of interest. The relativistic electron bunch (𝛾 ≈ 50) parameters are close to those proposed for the coherent electron cooler in the electron-ion collider (EIC) project. Preliminary feasibility experiments were conducted, and the noise factors are presented, supported by particle tracking. No major density fluctuations or effective cooling rate decrease were revealed for EIC CEC design parameters. Additionally, longitudinal-space-charge-induced microbunching for the chicane-compressed bunch was observed with coherent OTR enhancements up to 100 times, providing further calibration of the measurement method.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Multi-Model Future Typical Meteorological (fTMY) Weather Files for nearly every US County

Exploring climate-induced impacts on building energy consumption can provide valuable insights for sustainable energy planning and environmental management in the face of a changing climate. By utilizing future weather data statistically downscaled from the Intergovernmental Panel on Climate Change (IPCC) General Circulation Models (GCMs) from 2020-2100, this paper presents a broadening industry-consensus approach for generating future Typical Meteorological Year (fTMY) weather files through a combination of statistical downscaling and high-performance computing that generalizes across decades, multiple locations for a region, and varying climate models. Furthermore, these fTMY files have been generated for 3,128 US counties for capturing potential weather on a 20-year basis.

Building↗

Characteristics and selection of near-fault simulated earthquake ground motions for nonlinear analysis of buildings

Earthquake-induced ground shaking near rupturing faults is highly sensitive to the rupture characteristics, seismic wave propagation patterns and site conditions, and field recordings of near-fault shaking are relatively sparse. These challenges complicate the assessment of the seismic performance of near-fault structures. A common approach to representing near-fault ground motion in engineering analysis is to explicitly consider and select records with strong directivity pulses (pulse records). We use three-dimensional high-resolution physics-based earthquake simulations to test this approach in the context of scenario-based ground motion record selection, and to study the important characteristics of near-fault ground shaking. We highlight the deficiencies associated with classifying near-fault simulated records as “pulse” or “non-pulse,” based on the presence of a single dominating pulse in the velocity time history. We show that this approach is inadequate for characterizing near-fault shaking on soft soils which can be dominated by both forward rupture directivity and basin amplification effects. We conduct ground motion selection experiments for the analysis of near-fault structures with and without explicit classification of the pulse features in the records, and evaluate the bias in the predicted structural demands. We find that the maximum interstory drift demands on building structures imposed by unscaled site-specific simulated ground motion records selected based on relevant spectral shape features are not sensitive to the classification of records as pulse/non-pulse. Therefore, with regard to predicting the maximum interstory drifts in near-fault buildings, we do not find justification for the binary pulse classification of near-fault records.

42 ENGINEERING↗

Elucidating the assembly of Nanoparticle Organic Hybrid Materials (NOHMs) near an electrode interface with varying potential using Neutron Reflectivity

A critical concern regarding electrolyte formulation in an electrochemical environment is the impact of the interaction of the multiple components (i.e., supporting electrolyte or additive) with the electrode surface. Recently, liquid-like neat Nanoparticle Organic Hybrid Materials (NOHMs) have been considered as an electrolyte component to improve the transport of redox-active species to the electrode surface. However, the structure and assembly of the NOHMs near the electrode surface is unknown and could significantly impact the electrode-electrolyte interface. Hence, we have investigated the depth profile of polyetheramine (HPE) polymer and NOHM-I-HPE (nanoparticles with ionically bonded HPE polymer) in deuterated water (D2O) in the presence of two different salts (KHCO3 and ZnCl2) near two different electrode surfaces using neutron reflectometry. Moreover, the depth profile of the NOHM-I-HPE near the electrode surface in a potential has also been studied with in-situ reflectivity experiments. Our results indicate that a change in the chemical structure/hydrophilicity of the electrode surface does not significantly impact the ordering of HPE polymer or NOHM-I-HPE near the surface. Here, this study also indicates that the NOHM-I-HPE particles form a clear layer near the electrode surface immediately above an adsorbed layer of free polymer on the electrode surface. The addition of salt does not impact the layering of NOHM-I-HPE, though it does alter the conformation of the polymer grafted to the nanoparticle surface and free polymer sequestered near the surface. Finally, the application of negative potential results in an increased amount of free polymer near the electrode surface. Correlating the depth profile of free polymer and NOHM-I-HPE particles with the electrochemical performance indicates that this assembly of free polymer near the electrode surface in NOHM-I-HPE solutions contributes to the higher current density of the system. Therefore, this holistic study offers insight into the importance of the assembly of NOHM-I-HPE electrolyte and free polymer near the electrode surface in an electrochemical milieu on its performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Near-field spectroscopy of Dirac plasmons in Bi 2 Se 3 ribbon arrays

Plasmons supported in the massless electron surface states of topological insulators (TIs), known as Dirac plasmons, have great potential in next generation optoelectronics. However, their inherent confinement to the surface makes the investigation of Dirac plasmons challenging. Near-field techniques provide the ideal platform to directly probe Dirac plasmons due to the sensitivity to evanescent fields at the surface. Here, we demonstrate the use of aperture near-field spectroscopy for the investigation of localized terahertz (THz) Dirac plasmon resonances in Bi 2 Se 3 ribbon arrays with widths ranging from 10 to 40 µm. Unlike scattering THz near-field techniques, the aperture method is most sensitive to plasmons with the relevant lower-momenta corresponding to plasmon wavelengths on the scale of ~20 µm. The combination of THz time-domain spectroscopy and aperture near-field microscopy enables sampling of localized Dirac plasmons in the near-field zone in the 0.5–2.5 THz range. We map the plasmon dispersion, which reveals a coupled plasmon–phonon polariton interaction. The near-field spectra show a higher contrast of the upper polariton branch in comparison with far-field observations. The information revealed by aperture near-field spectroscopy could deepen our understanding of the behavior of Dirac plasmons, leading to the potential development of real-world TI devices.

42 ENGINEERING↗

Evaluation of the Near-Surface Variables in the HRRR Weather Model Using Observations from the ARM SGP Site

Abstract The performance of version 4 of the NOAA High-Resolution Rapid Refresh (HRRR) numerical weather prediction model for near-surface variables, including wind, humidity, temperature, surface latent and sensible fluxes, and longwave and shortwave radiative fluxes, is examined over the Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) region. The study evaluated the model’s bias and bias-corrected mean absolute error relative to the observations on different time scales. Forecasts of near-surface geophysical variables at five SGP sites (HRRR at 3-km scale) were found to agree well with observations, but some consistent observation–forecast differences also occurred. Sensible and latent heat fluxes are the most challenging variables to be reproduced. The diurnal cycle is the main temporal scale affecting observation–forecast differences of the near-surface variables, and almost all of the variables showed different biases throughout the diurnal cycle. Results show that the overestimation of downward shortwave and the underestimation of downward longwave radiative flux are the two major biases found in this study. The timing and magnitude of downward longwave flux, wind speed, and sensible and latent heat fluxes are also different with contributions from model representations, data assimilation limitations, and differences in scales between HRRR and SGP sites. The positive bias in downward shortwave and negative bias in longwave radiation suggests that the model is underestimating cloud fraction in the study domain. The study concludes by showing a brief comparison with version 3 of the HRRR and shows that version 4 has better performance in almost all near-surface variables. Significance Statement A correct representation of the near-surface variables is important for numerical weather prediction models. This study investigates the capability of the latest NOAA High-Resolution Rapid Refresh (HRRRv4) model in simulating the near-surface variables by comparing against the Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) in situ observations. Among others, we find that the surface heat fluxes, such as sensible and latent heat fluxes, are the most difficult variables to be reproduced. This study also shows that the diurnal cycle has the dominant impact on the model’s performance, which means the majority of the outputted near-surface variables have the strong diurnal cycle in their bias errors.

54 ENVIRONMENTAL SCIENCES↗

Integrating collapsible plasmonic gaps on near-field probes for polarization-resolved mapping of plasmon-enhanced emission in 2D material

Scanning near-field optical microscopy (SNOM) is an important technique used to study the optical properties of material systems at the nanoscale. In previous work, we reported on the use of nanoimprinting to improve the reproducibility and throughput of near-field probes including complicated optical antenna structures such as the ‘campanile’ probe. However, precise control over the plasmonic gap size, which determines the near-field enhancement and spatial resolution, remains a challenge. Here, we present a novel approach to fabricating a sub-20 nm plasmonic gap in a near-field plasmonic probe through the controlled collapse of imprinted nanostructures using atomic layer deposition (ALD) coatings to define the gap width. The resulting ultranarrow gap at the apex of the probe provides a strong polarization-sensitive near-field optical response, which results in an enhancement of the optical transmission in a broad wavelength range from 620 to 820 nm, enabling tip-enhanced photoluminescence (TEPL) mapping of 2-dimensional (2D) materials. We demonstrate the potential of this near-field probe by mapping a 2D exciton coupled to a linearly polarized plasmonic resonance with below 30 nm spatial resolution. This work proposes a novel approach for integrating a plasmonic antenna at the apex of the near-field probe, paving the way for the fundamental study of light-matter interactions at the nanoscale.

Zhou, Junze (ORCID:000000020682767X)↗

J/ψ Near-Threshold Photoproduction off the Proton and Neutron with CLAS12

In recent years, J/? photoproduction in the near-threshold region has seen a renewed theoretical interest due to the wealth of information it has to offer. Near-threshold J/? photopro-duction proceeds through the exchange of gluons in the t-channel and is expected to provide unique insight about the nucleon gluonic gravitational form factors (GFFs). Previous studies at the Thomas Jefferson National Accelerator Facility (JLab) in Virginia, USA, have already measured the total and differential cross section of J/? near-threshold photoproduction on the free proton. This thesis presents the first measurements of J/? near-threshold photoproduction on the bound proton and bound neutron in a deuteron target. The CEBAF Large Acceptance Spectrometer at 12 GeV (CLAS12) based at JLab?s Hall B uses a 11 GeV electron beam impinging on a fixed liquid deuteron target. J/? is then produced via the exchange of a quasi-real photon and decays to a lepton pair which is detected along-side the recoil nucleon by CLAS12. Analysis procedures and in particular machine learning based techniques were developed in order to correctly identify final state particles and select J/? photoproduction events. The total and differential cross section of J/? near-threshold photoproduction on the bound proton and bound neutron were then measured from the detected J/? photoproduction events. The measurements of the cross sections on the bound proton and bound neutron agree well within their statistical uncertainty. This is consistent with the assumed two-gluon exchange production mechanism which is isospin invariant. Overall a first measurement of the J/? near-threshold photoproduction cross sections on the bound proton and bound neutron was achieved. A better understanding of the mechanical properties of the nucleon, such as pressure and mass distributions, can be obtained by relating J/? production to the nucleon GFFs. This opens the way for exciting new insights into the internal structure of the nucleon, and in particular of the nucleon?s gluonic content. An upcoming overhaul of the CLAS12 reconstruction will increase the reconstruction efficiency and the statis- tical precision of the preliminary measurements described in this thesis, with an expected gain in statistics of at least 50%. Future upgrades at JLab will allow to test some of the theoretical assumptions made in relating J/? near-threshold photoproduction to the nucleon GFFs

Tyson, Richard↗

Source attribution of near-surface ozone pollution in Jiangsu Province of China over 2013–2019

Near-surface ozone (O3) is one of the most severe air pollutants in China, particularly over densely populated Jiangsu Province in the Yangtze River Delta. In this study, an O3 source tagging technique is utilized in a chemistry-climate model to quantify the source contributions of various emission sectors and regions for nitrogen oxides (NOx) and volatile organic compounds (VOCs) to O3 concentrations in Jiangsu Province during 2013–2019. The results show that the near-surface O3 in Jiangsu Province is mainly contributed by surrounding and remote anthropogenic NOx emissions through long-range transport. Local anthropogenic NOx emissions account for only 13 % and 18 % of the annual and summertime mean near-surface O3 in Jiangsu Province, respectively. Anthropogenic NOx emissions from the surface transportation, industry, and energy sectors account for 21 %, 22 % and 20 % of the annual mean near-surface O3 concentration in Jiangsu Province, respectively. Biogenic and anthropogenic VOCs emissions each explains one-third of the annual mean near-surface O3 concentration in Jiangsu, while methane and stratospheric chemical production contribute 21 % and 6 %, respectively. The sources from stratospheric production, aircraft, lightning, and foreign emissions are the primary contributors to O3 in the mid- and high troposphere. During high pollution days in Jiangsu Province, the near-surface O3 concentrations increase with the maximum exceeding 20 ppb, which is attributed to both the enhanced photochemical production and regional transport in favorable meteorological conditions.

ozone pollution↗

Molecular Origins of Near-Infrared Luminescence in Molybdenum and Tungsten Oxyhalide Perovskites

Materials with near-infrared (near-IR) luminescence are desirable for applications in communications and sensing, as well as biomedical diagnostics and imaging. The most used inorganic near-IR emitters rely on precise doping of host crystal structures with select rare-earth or transition metal ions. Recently, another class of materials with intrinsic near-IR emission has been reported. The compositions of these materials were initially described as vacancy-ordered halide double perovskites Cs 2 MoCl 6 and Cs 2 WCl 6 , but further investigation by some of us on the compound reported as Cs2WCl6 revealed an oxyhalide instead, with a composition Cs 2 WO x Cl 6–x , where 1 < x < 2. Here we demonstrate that the Mo compounds similarly possess the composition Cs 2 MoO x Cl 6–x or Cs 2 MoO x Br 6–x where 1 < x < 2. Preparing the pure halide appears harder for Mo than for W, and we have not succeeded in doing so. The distinctly different composition requires the coordination environment and oxidation state for the Mo and W centers to be reconsidered from what was assumed for the pure halides. In this work, we examine the mechanism for near-IR emission in these materials given their true structures and compositions. We demonstrate that the luminescence is due to the specific d-orbital splitting caused by the presence of oxygen in the distorted [MOX 5 ] 2– octahedra (X is Cl or Br). The fine structure in the emission spectra at low temperatures has been resolved and is attributed to vibronic coupling to the Mo–O and W–O bond stretches. Understanding the true structure and composition of these interesting materials, besides explaining the near-IR luminescence, suggests how this desirable emission can be realized and manipulated.

36 MATERIALS SCIENCE↗

Near-Infrared Photoluminescence from Spin-Flip Excited States of π-Conjugated Tris(quinolinolate) Chromium(III) Complexes

Tuning metal–ligand covalency offers promising design strategies to tailor the photoluminescence (PL) emission energies of metal-centered, spin-flip excited states. Herein, we report a series of tris(quinolinolate) chromium(III) complexes that exhibit record-low near-infrared II emission energies in a fluid solution at room temperature, afforded by their strong metal–ligand covalencies. Appending π-conjugated arylethynyl substituents to quinolinolate ligands resulted in minimal changes to metal–ligand bond lengths, facilitating nearly indiscriminate metal–ligand covalencies for each tris(quinolinolate) chromium(III) complex. As a result, near-infrared II emission was observed across the series, while simultaneously affording careful tuning of the 4 LMCT/ 4 ( 1 ILCT) electronic transition energies across the visible region. Here, detailed analyses of ground-state electronic structures and excited-state electronic transitions revealed that PL arises from a ligand-field, 2 E excited state, admixed with charge-transfer character. This assignment was supported by solvent-dependent near-infrared emission energies and long excited-state lifetimes, consistent with spin-forbidden relaxation (ranging from 115 ± 5 to 123 ± 1 ns across the series). Utilizing spectroscopic data, ligand-field parameters were quantified, further rationalizing the role of strong metal–ligand covalency in enabling near-infrared II emission. Supported by these results, this study presents a new class of ligands that enable room-temperature near-infrared II emission in chromium(III)-based spin-flip excited states.

Absorption spectroscopy↗

Approximation of nearly-periodic symplectic maps via structure-preserving neural networks

A continuous-time dynamical system with parameter ε is nearly-periodic if all its trajectories are periodic with nowhere-vanishing angular frequency as ε approaches 0. Nearly-periodic maps are discrete-time analogues of nearly-periodic systems, defined as parameter-dependent diffeomorphisms that limit to rotations along a circle action, and they admit formal U(1) symmetries to all orders when the limiting rotation is non-resonant. For Hamiltonian nearly-periodic maps on exact presymplectic manifolds, the formal U(1) symmetry gives rise to a discrete-time adiabatic invariant. In this paper, we construct a novel structure-preserving neural network to approximate nearly-periodic symplectic maps. This neural network architecture, which we call symplectic gyroceptron, ensures that the resulting surrogate map is nearly-periodic and symplectic, and that it gives rise to a discrete-time adiabatic invariant and a long-time stability. This new structure-preserving neural network provides a promising architecture for surrogate modeling of non-dissipative dynamical systems that automatically steps over short timescales without introducing spurious instabilities.

97 MATHEMATICS AND COMPUTING↗