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DOE OSTI2024

Novel Measurement of the Neutron Magnetic Form Factor from A=3 Mirror Nuclei

The electromagnetic form factors of the proton and neutron encode information on the spatial structure of their charge and magnetization distributions. While measurements of the proton are relatively straightforward, the lack of a free neutron target makes measurements of the neutron's electromagnetic structure more challenging and more sensitive to experimental or model-dependent uncertainties. Various experiments have attempted to extract the neutron form factors from scattering from the neutron in deuterium, with different techniques providing different, and sometimes large, systematic uncertainties. We present results from a novel measurement of the neutron magnetic form factor using quasielastic scattering from the mirror nuclei 3 H and 3 He, where the nuclear effects are larger than for deuterium but expected to largely cancel in the cross-section ratios. We extracted values of the neutron magnetic form factor for low-to-modest momentum transfer, 0.6 < Q 2 < 2.9 GeV 2 , where existing measurements give inconsistent results. The precision and Q 2 range of these data allow for a better understanding of the current world’s data and suggest a path toward further improvement of our overall understanding of the neutron’s magnetic form factor.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

High Fidelity Tomographic Density Reconstructions [Slides]

Pressed high explosives have small density variations associated with the pressing process, from a few to sub percent depending on the material. Variations at these levels are known to have an impact on HE performance. Currently, a destructive testing method based on physical sectioning followed by immersion density measurements (slice and dice) is utilized. However, this method has poor spatial resolution limited by the the sectioning size, 1-2 cm. If possible, radiographic methods including Computed Tomography (CT) would be preferred, as they are non-destructive and have higher (less than .1 mm) spatial resolution. However, beam hardening, scattered radiation, and detector effects make density reconstructions at this level extremely challenging.

42 ENGINEERING↗

DOE OSTI2023

Assessing Several Modeling Approaches in Depletion Studies of a TRISO-Fueled Microreactor

The impact of MCNP6 depletion resolution on core lifetime is examined in the context of the Snowflake microreactor with explicit TRISO fuel. The change in core lifetime and isotope mass as a result of different tracked isotopes, timesteps, and spatial regions is discussed. Calculation speed of a prototype MCNP delta tracking module is compared to a reactivity equivalent physical transformation (RPT). Using a single depletion material underpredicts core lifetime by 15%, and the resolution necessary to converge isotope mass greatly depends on the specific isotope, in addition to the size (and location) of the depletion region. The prototype delta tracking module decreases the CPU time of explicit TRISO criticality calculations by 30%, but does not always result in a speedup when used with depletion. Significant depletion speedup is obtained using RPT (50% faster), and all isotope masses agreed within three percent.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

Methods for Precision Studies of Neutrino Interactions

Accelerator neutrino oscillation experiments provide a sensitive way to investigatea number of major open questions in neutrino physics. To achieve precision neutrinooscillation measurements, we need a good understanding of key aspects of the experiments,such as the detection technologies used and neutrino interactions at few-GeV energies.The MicroBooNE experiment has advanced the development of technologies for LArTPCs.An ultra-violet laser system was introduced to MicroBooNE in order to measure theelectric field in situ, which plays a central role in the formation of charge and lightsignals in LArTPCs. This thesis describes the setup and operation of the laser system. Ideveloped a general methodology to measure the electric field and the consequent spatialdistortion in LArTPCs, which supports precision measurements in accelerator neutrinooscillation experiments. In MicroBooNE, the measured electric field distortions are upto 15 ± 3 % with respect to the nominal value, and the measured spatial distortions areup to 15 ± 3 cm. The result of the electric field measurement is applied to the detectorsimulation and the event reconstruction, which leads to a better detector characterizationfor neutrino analyses. A significant concern for measurements of neutrino interactions ismodel dependence, as the currently available models are not sufficient for describing thepicture of neutrino interacting at few-GeV energies. In this thesis, I developed a detailedstrategy for a model-independent cross-section measurement at low energy transfers,where the available model predictions do not agree with the inclusive measurementsfrom multiple experiments. A likelihood fit technique for cross-section extraction isrealized in an accelerator neutrino experiment using a LArTPC for the first time. Thetreatment of systematic uncertainties developed in this thesis is generally applicable foranalyses using similar fitting techniques. This neutrino interaction study at low energytransfers provides a probe to the poorly understood region of neutrino cross sections. Themeasurement scheme developed here aims to guide future model-independent cross-sectionmeasurements, particularly for neutrino experiments using LArTPCs.

Chen, Yifan↗

DOE OSTI2024

Quantitative assessment of selenium diffusion and passivation in CdSeTe solar cells probed by spatially resolved cathodoluminescence

The introduction of selenium in CdSeTe/CdTe solar cells has led to improved device performances attributed to the passivation of bulk defects. In this work, high-resolution cathodoluminescence experiments are performed on a series of CdSeTe/CdTe thin films with different Se concentrations to quantify the mechanisms and the passivation role of Se. We demonstrate a universal dependence between the Se concentration and the radiative efficiency and a ten-fold enhancement of the luminescence between CdTe and CdSe 0.4 Te 0.6 . Raw luminescence maps are converted into maps of the Se concentration, revealing its graded profile within the stack. We demonstrate the diffusion of Se along CdTe grain boundaries induced by the cadmium chloride annealing treatment and determine the diffusion coefficients, which are more than eight times higher at grain boundaries than in grain interiors. These results provide microscopic insights into the distribution of Se and its impact on the passivation of CdSeTe/CdTe solar cells.

14 SOLAR ENERGY↗

DOE OSTI2021

Efficient Space–Time Reduced Order Model for Linear Dynamical Systems in Python Using Less than 120 Lines of Code

A classical reduced order model (ROM) for dynamical problems typically involves only the spatial reduction of a given problem. Recently, a novel space–time ROM for linear dynamical problems has been developed [Choi et al., Space–tume reduced order model for large-scale linear dynamical systems with application to Boltzmann transport problems, Journal of Computational Physics, 2020], which further reduces the problem size by introducing a temporal reduction in addition to a spatial reduction without much loss in accuracy. The authors show an order of a thousand speed-up with a relative error of less than 10−5 for a large-scale Boltzmann transport problem. In this work, we present for the first time the derivation of the space–time least-squares Petrov–Galerkin (LSPG) projection for linear dynamical systems and its corresponding block structures. Utilizing these block structures, we demonstrate the ease of construction of the space–time ROM method with two model problems: 2D diffusion and 2D convection diffusion, with and without a linear source term. For each problem, we demonstrate the entire process of generating the full order model (FOM) data, constructing the space–time ROM, and predicting the reduced-order solutions, all in less than 120 lines of Python code. We compare our LSPG method with the traditional Galerkin method and show that the space–time ROMs can achieve O(10−3) to O(10−4) relative errors for these problems. Depending on parameter–separability, online speed-ups may or may not be achieved. For the FOMs with parameter–separability, the space–time ROMs can achieve O(10) online speed-ups. Finally, we present an error analysis for the space–time LSPG projection and derive an error bound, which shows an improvement compared to traditional spatial Galerkin ROM methods.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

High-temperature Pumping of Silicon for Thermal Energy Grid Storage

As the cost of renewable energy falls below fossil fuels, the key barrier to widespread sustainable electricity has become availability on demand. Energy storage can enable dispatchable renewables, but only with drastic cost reductions compared to current batteries. One electricity storage concept that could enable these cost reductions stores electricity as sensible heat in an extremely hot liquid (>2000 °C) and uses multi-junction photovoltaics (MPV) as a heat engine to convert it back to electricity on demand, hours or days later. This paper follows previously reported technoeconomics and liquid containment, examining equipment that would be needed to exchange heat between resistive heaters, a molten silicon storage tank above 2000 °C, and a heat engine. Herein, we report on a pump that was designed and tested to circulate the liquid silicon between these three regions and the effect of spatial thermal cycling was simulated in models and experiments. While the pump successfully circulated silicon between 1800-2080 °C for ten hours, circulation with a temperature gradient caused it and other non-isothermal experiments to dissolve significantly due to the temperature dependent solubility of not only carbon, but also silicon carbide which otherwise protected the graphite infrastructure. Furthermore, methods to reduce dissolution and an alternative embodiment are presented.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2022

In Situ 29 Si solid-state NMR study of grafting of organoalkoxysilanes to mesoporous silica nanoparticles

We report that since the catalytic activity and the stability of silica-bound organometallic complexes are affected by their interactions with hydroxyl groups on the surface, isolated hydroxyls are often created prior to the introduction of catalytic species. Here, we investigate a method to remove the indigenous hydroxyls and create new isolated hydroxyls by grafting organo-trimethoxysilane (R-TMS) to generate a silicon T 2 site, (≡SiO-) 2 SiR(-OH). We used in situ 29 Si solid-state NMR experiments to monitor the evolution of T n sites, (≡SiO - ) n SiR(-OH) 3-n (n = 1, 2, 3). The study indicates that i) the grafting proceeds in a consecutive manner as T 1 → T 2 → T 3 , and ii) the kinetics depend on the type of functional groups in the silane. However, the rates of T 1 formation and T 2 → T 3 conversion are also controlled to a significant extent by the entropy loss associated to the initial silane binding and the spatial arrangement of surface hydroxyls, respectively. The grafting of R-TMS with a basic functional group leads to a lower concentration of T 1 sites. The nucleophilicity of the functional group facilitates the grafting process by lowering the enthalpy barrier, while the T 1 formation rate is more influenced by the entropy barrier than the T 1 → T 2 conversion rate. Thus, the basic functional group promotes the T 1 → T 2 conversion more than the T 1 formation, resulting in a lower concentration of T 1 sites.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Electron inelastic mean free path in water

Liquid phase transmission electron microscopy (LPTEM) is rapidly developing as a powerful tool for probing processes in liquid environments with close to atomic resolution. Knowledge of the water thickness is needed for reliable interpretation and modelling of analytical studies in LPTEM, and is particularly essential when using thin liquid layers, required for achieving the highest spatial resolutions. Furthermore, the log-ratio method in electron energy-loss spectroscopy (EELS) is often applied in TEM to quantify the sample thickness, which is measured relative to the inelastic mean free path ( λ IMFP ). However, λ IMFP itself is dependent on sample material, the electron energy, and the convergence and divergence angles of the microscope electronoptics. Here, we present a detailed quantitative analysis of the λ IMFP of water as functions of the EELS collection angle ( β ) at 120 keV and 300 keV in a novel nanochannel liquid cell. We observe good agreement with earlier studies conducted on ice, but find that the most widely used theoretical models significantly underestimate λ IMFP of water. We determine an adjusted average energy-loss term E m, water , and characteristic scattering angle θ E, water that improve the accuracy. The results provide a comprehensive knowledge of the λ IMFP of water (or ice) for reliable interpretation and quantification of observations in LPTEM and cryo-TEM studies.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2023

Inverse Bremsstrahlung Absorption

Inverse bremsstrahlung absorption was measured based on transmission through a finite-length plasma that was thoroughly characterized using spatially resolved Thomson scattering. Expected absorption was then calculated using the diagnosed plasma conditions while varying the absorption model components. To match data, it is necessary to account for: (1) the Langdon effect; (2) laser-frequency (rather than plasma-frequency) dependence in the Coulomb logarithm, as is typical of bremsstrahlung theories but not transport theories; and (3) a correction due to ion screening. Radiation-hydrodynamic simulations of inertial confinement fusion implosions have to date used a Coulomb logarithm from the transport literature and no screening correction. Here, we anticipate that updating the model for collisional absorption will substantially revise our understanding of laser-target coupling for such implosions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Conformal duality of the nonlinear Schrödinger equation: Theory and applications to parameter estimation

The nonlinear Schrödinger equation (NLSE) in one spatial dimension has stationary solutions similar to those of the linear Schrödinger equation (LSE) as well as more exotic solutions such as solitary waves and quantum droplets. Here, we present a newly discovered conformal duality which unifies the stationary and time-dependent traveling-wave solutions of the one-dimensional cubic-quintic NLSE, the cubic NLSE and LSE. Any two systems that are classified by the same single number called the cross ratio are related by this symmetry. Notably, the conformal duality can also be adapted in Newtonian mechanics and serves as a powerful tool for investigating physical systems that otherwise cannot be directly accessed in experiments. Further, we show that the conformal symmetry is a valuable resource to substantially improve NLSE parameter estimation from noisy empirical data by introducing an optimization afterburner. The new method therefore has far reaching practical applications for nonlinear physical systems. Published by the American Physical Society 2025

Reinhardt, David B. (ORCID:0009000409812838)↗

DOE OSTI2023

A Vertically Resolved Analysis of Radiative Feedbacks on Moist Static Energy Variance in Tropical Cyclones

Abstract A vertically resolved moist static energy (MSE) variance budget framework is used to diagnose processes associated with the development of tropical cyclones (TCs) in a general circulation model (GCM) under realistic boundary conditions. Previous studies have shown that interactions between radiation and MSE promote TC development. Here, we examine the vertical contributions of radiation and its interactions with MSE by performing several mechanism-denial experiments in which synoptic-scale radiative interactions are suppressed either in the boundary layer or in the free troposphere. Partly suppressing radiative interactions results in a reduction in global TC frequency. However, the magnitude of reduction and structure of the feedback depend on the intensity and structure of the TCs in these mechanism-denial experiments, indicating that both the magnitude and the vertical location of radiative interactions can impact global TC frequency. Using instantaneous 6-hourly outputs, an explicit computation reveals distinct spatial patterns of the advection term: the vertical component is positive in the mid- to upper troposphere, which reflects an upward transport of MSE by deep convection, whereas the horizontal component is positive in the boundary layer. These results illustrate the impact of the vertical distribution of radiative interactions and vertically varied contribution of the advection term in the development of TCs.

Meteorology & Atmospheric Sciences↗

DOE OSTI2026

Comments on the paper “Eliminating beam-induced depolarizing effects in the hydrogen jet target for high-precision proton beam polarimetry at the Electron-Ion Collider” (Part I)

A critical review of the methodology used in F. Rathmann et al., Phys. Rev. Accel. Beams 29, 021001 (2026), to evaluate beam-induced depolarization of the Atomic Polarized Hydrogen Gas Jet (HJET) target at the Electron–Ion Collider (EIC) is presented. It is shown that several key assumptions underlying that analysis—including the introduction of a photon emission threshold, the application of Fermi’s Golden Rule to coherent hyperfine transitions, the interpretation of power broadening as a physical linewidth increase, and the treatment of spatial magnetic fields—are either incorrect or internally inconsistent. As a consequence, the predicted large depolarization effects are demonstrated to be artifacts of the adopted methodology rather than genuine physical phenomena. A consistent quantum-mechanical treatment based on the time-dependent Schrödinger equation shows that beam-induced depolarization probabilities at the EIC are negligibly small.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Global weak solutions for a nonlocal multispecies Fokker–Planck–Landau system

The global-in-time existence of weak solutions to a spatially homogeneous multispecies Fokker–Planck–Landau system for plasmas in the three-dimensional whole space is shown. The Fokker–Planck–Landau system is a simplification of the Landau equations assuming a linearized, velocity-independent, and isotropic kernel. The resulting equations depend nonlocally and nonlinearly on the moments of the distribution functions via the multispecies local Maxwellians. Furthermore, the existence proof is based on a three-level approximation scheme, energy and entropy estimates, as well as compactness results, and it holds for both soft and hard potentials.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Coupled Experimental and High-Temperature Discrete-Element Method Modeling Studies of Aluminosilicate Particle Handling in Concentrated Solar Power Environments

Chemically inert, aluminosilicate based particles have been investigated as both a thermal transport and sensible energy storage medium for concentrated solar power facilities. These particles will experience a wide range of operating temperatures (300-1000 K) and handling conditions (dense to dilute falling particle curtains, dense granular flows, or dense structures), requiring specially-designed and optimized infrastructures. The relative influence of collisional and frictional interactions between particles varies based on temperature-dependent particulate properties and greatly impacts the bulk, granular flow behavior. These underlying physics are captured using discrete element method modeling tools. However, this modeling method is computationally expensive as each particle position and interaction is tracked during the simulation. These modeling methods are further complicated by introducing temperature-dependent particle properties, high-temperature radiative exchange, and directional irradiation sources experienced by granular flows in concentrated solar power environments. Coupled experimental and numerical studies of aluminosilicate particles in rotary kilns and dense particle curtains were performed for bulk temperatures up to 1073 K. The three particle types investigated included Carbobead HSP 30 /60, Carbobead CP 30/60, and Granusil 4030. Temperature, spatial, and velocity profile data were extracted from experimental runs using embedded K-type thermocouple probes and particle image velocimetry techniques. Experimental and numerical studies were compared using spatial temperature profiles, velocity fields, and shape profiles of the bulk, granular flows. Numerical models were developed using commercially available discrete element method modeling software, Aspherix®. Existing Aspherix® functionality was expanded by introducing coupled radiative exchange modeling tools. The laboratory-scale rotary kiln was developed to investigate the steady-state heat and mass transfer performance of aluminosilicate particles based on particle type, bulk handling temperature, and wall roughness. The rotational speed of the rotary kiln was varied to control the relative impact of collisional and frictional effects upon the granular flow behavior. Heat and mass transfer performance was categorized based on the Froude number and the observed flow regimes of slipping, rolling, cascading, and centrifuging. Coupled discrete element method modeling studies were used to evaluate the effects of temperature-dependent, particulate mechanical properties upon bulk flow behavior and upon the relative effects of radiative, advective, and/or conductive heat transfer. A high-temperature (< 1073 K) falling particle curtain was similarly fabricated to investigate the heat and mass transfer performance of aluminosilicate particles in particle handling situations dominated by inter-particle collisions. The impact of particle type, flow preheat temperatures (< 1073K), and bulk mass flow rates were investigated upon the particle curtain shape, temperature, and velocity profiles. Coupled discrete element method modeling studies were performed to evaluate the varying impact of temperature-dependent, particulate mechanical properties on the bulk flow behavior and the temperature profile of the particle curtain.

14 SOLAR ENERGY↗

DOE OSTI2024

Leveraging Extremal Dependence to Better Characterize the 2021 Pacific Northwest Heatwave

Abstract In late June, 2021, a devastating heatwave affected the US Pacific Northwest and western Canada, breaking numerous all-time temperature records by large margins and directly causing hundreds of fatalities. The observed 2021 daily maximum temperature across much of the U.S. Pacific Northwest exceeded upper bound estimates obtained from single-station temperature records even after accounting for anthropogenic climate change, meaning that the event could not have been predicted under standard univariate extreme value analysis assumptions. In this work, we utilize a flexible spatial extremes model that considers all stations across the Pacific Northwest domain and accounts for the fact that many stations simultaneously experience extreme temperatures. Our analysis incorporates the effects of anthropogenic forcing and natural climate variability in order to better characterize time-varying changes in the distribution of daily temperature extremes. We show that greenhouse gas forcing, drought conditions and large-scale atmospheric modes of variability all have significant impact on summertime maximum temperatures in this region. Our model represents a significant improvement over corresponding single-station analysis, and our posterior medians of the upper bounds are able to anticipate more than 96% of the observed 2021 high station temperatures after properly accounting for extremal dependence. Supplementary materials accompanying this paper appear online.

Zhang, Likun (ORCID:0000000154584556)↗

DOE OSTI2025

Contrasting age-dependent leaf acclimation strategies drive vegetation greening across deciduous broadleaf forests in mid- to high latitudes

Increasing leaf area and extending vegetation growing seasons are two primary drivers of global greening, which has emerged as one of the most significant responses to climate change. However, it remains unclear how these two leaf acclimation strategies would vary across forests at a large spatial scale. Here, in this study, using multiple satellite-based datasets and field measurements, we analysed the temporal changes (Δ) in maximal leaf area index (LAI max ) and length of the growing season (LOS) from 2002 to 2021 across deciduous broadleaf forests (DBFs) in the middle to high latitudes. Contrary to the widely held assumption of coordination, our results revealed a negative correlation between ΔLAI max and ΔLOS. Notably, the trade-offs between ΔLAImax and ΔLOS were strongly explained by stand age. Younger DBFs, with lower baseline LAI max , predominantly located in eastern Asia, displayed an increase in LAI max with small changes in LOS. This acquisitive strategy facilitated younger DBFs to grow more photosynthetically efficient leaves with low leaf mass per area, enhancing their light use efficiency. Conversely, older DBFs with a higher baseline LAI max , primarily located in North America and Europe, extended their LOS by increasing leaf mass per area. This conservative strategy facilitated older DBFs to produce thicker, but less photosynthetically efficient leaves, resulting in decreased light use efficiency. Our findings offer new insights into the contrasting changes in leaf area and growing season length and highlight their divergent impacts on ecosystem functioning.

Wang, Fangyi [Sun Yat-Sen Univ., Zhuhai (China)]↗

DOE OSTI2022

Complex pH-Dependent Interactions between Weak Polyelectrolyte Block Copolymer Micelles and Molecular Fluorophores

Amphiphilic block copolymers with weak polyelectrolyte blocks can assemble stimulus-responsive nanostructures and interfaces. Applications of these materials in drug delivery, biomimetics, and sensing largely rely on the well-understood swelling of polyelectrolyte chains upon deprotonation, often induced by changes in pH or ionic strength. This deprotonation can also tune interfacial interactions between the polyelectrolyte blocks and surrounding solution, an effect which is less studied than morphological swelling of polyelectrolytes but can be just as critical for intended function. Here, we investigate whether the pH-driven morphological response of polyelectrolyte-bearing nanostructures also affects the interactions of these nanostructures with molecules in solution, using micelles of a short-chain polybutadiene-block-poly(acrylic acid) (pBd–pAA) as a model system. Here we introduce a Förster resonance energy transfer (FRET) approach to probe interactions between micelles and fluorescent molecular solutes as a function of solution pH. As expected, the pAA corona of these pBd–pAA micelles increases in thickness monotonically as a function of pH. However, FRET efficiency, which provides a metric of the spatial proximity of fluorescently labeled micelles and freely diffusing fluorophores, exhibits complex nonmonotonic behavior as a function of pH, indicating that the average separation of micelles and acceptor fluorophores is not strictly correlated with micelle swelling. Dialysis experiments quantify the affinity of fluorophores for micelles as a function of pH, confirming that changes in FRET are driven almost entirely by the pH-dependent affinity of the pAA block for the investigated molecular fluorophores, not simply by a shape change of the pAA corona. This study provides key insights into the interfacial interactions between weak-polyelectrolyte-bearing nanostructures and molecular solutes, of importance for the development of their stimulus-responsive applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗