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DOE OSTI2024

Avancando na Transicao Energetica: Desafios e Estrategias para a Implantacao Sustentavel de FV

As the world embarks on an ambitious journey towards global decarbonization, the spotlight turns to photovoltaic (PV) technology as a cornerstone for sustainable energy solutions. This talk delves into the current status and projections of PV for the World, US and Brasil, and the necessary considerations to do this increase in manufacturing and deployment sustainably. With the projected scale of deployment, the industry faces significant challenges related to material demand and the management of PV modules at their end of life. The principles of the Circular Economy (CE) and its associated R-Actions - Reduce, Reuse, Recycle, among others - present a promising framework to address these challenges by mitigating end-of-life management and material sourcing concerns. However, traditional CE metrics, often focused solely on mass, fall short by excluding vital energy flow considerations. In this talk, we will highlight how various metrics are needed to understand sustainable PV solutions, how continuing the search for increased efficiency can significantly reduce material demands and enhance energy metrics, while strategies around material circularity and module lifetime and reliability improvements will offer substantial reductions in both material and energy demands.

Brasil↗

DOE OSTI2025

Gravitational waves and galaxies cross-correlations: a forecast on GW biases for future detectors

ABSTRACT Gravitational waves (GWs) have rapidly become important cosmological probes since their first detection in 2015. As the number of detected events continues to rise, upcoming instruments like Einstein Telescope (ET) and Cosmic Explorer (CE) will observe millions of compact binary mergers. These detections, coupled with galaxy surveys by instruments such as the Dark Spectroscopic Energy Instrument (DESI), Euclid, and the Vera Rubin Observatory, will provide unique information on the large-scale structure of the universe by cross-correlating GWs with the distribution of galaxies hosting them. In this paper, we focus on how cross-correlations constrain the clustering bias of GWs emitted by the coalescence of binary black holes (BBHs). This parameter links BBHs to the underlying dark matter distribution, hence informing us how they populate galaxies. Using a multitracer approach, we forecast the precision of these measurements under different survey combinations. Our results indicate that current GW detectors will have limited precision, with measurement errors as high as $\displaystyle \sim 50~{{\ \rm per\ cent}}$. However, third-generation detectors like ET, when cross-correlated with Legacy Survey of Space and Time (LSST) data, can improve clustering bias measurements to within 2.5 per cent. Furthermore, we demonstrate that these cross-correlations can enable a per cent-level measurement of the magnification lensing effect on GWs. Despite this, there is a degeneracy between magnification and evolution biases, which hinders the precision of both. This degeneracy is most effectively addressed by assuming knowledge of one bias or targeting an optimal redshift range of $\displaystyle 1 \lt z \lt 2.5$. Our analysis opens new avenues for studying the distribution of BBHs and testing the nature of gravity through large-scale structure.

Zazzera, Stefano (ORCID:0000000158979221)↗

DOE OSTI2025

Continuing Development of the Nuclear Data Processing Code AMPX [Poster]

The ENDF/B-VIII.1 evaluation library has seen a great growth in the thermal neutron scattering sub-library. The SCALE code system has traditionally approached CE transport by assuming that the CE library on disk represented the fully expanded cumulative probability distributions, conditional on exiting angle and marginal on exiting energy. While this is a complete description of the data, it comes at the potential cost of large amounts of on-disk storage. This approach was strained by several TSL files in ENDF/B-VIII.1, such as graphite, which contained data for a large number of Bragg edges. In the fully expanded probability distributions, this was found to be a disproportionately large fraction of the SCALE CE library.

GNDS↗

DOE OSTI2022

Characterization of the structure and chemistry of the solid–electrolyte interface by cryo-EM leads to high-performance solid-state Li-metal batteries

Solid-state lithium-metal (Li 0 ) batteries are gaining traction for electric vehicle applications because they replace flammable liquid electrolytes with a safer, solid-form electrolyte that also offers higher energy density and better resistance against Li dendrite formation. Solid polymer electrolytes (SPEs) are highly promising candidates because of their tunable mechanical properties and easy manufacturability; however, their electrochemical instability against lithium metal (Li 0 ), mediocre conductivity, and poorly understood Li 0 /SPE interphases have prevented extensive application in real batteries. In particular, the origin of the low Coulombic efficiency (CE) associated with SPEs remains elusive, as the debate continues as to whether it originates from unfavored interfacial reactions or lithium dendritic growth and dead lithium formation. In this work, we use state-of-the-art cryo-electromicroscopy (cryoEM) imaging and spectroscopic techniques to characterize the structure and chemistry of the interface between Li 0 and a polyacrylate-based SPE. Contradicting the conventional knowledge, we find that no protective interphase forms, owing to the sustained reactions between deposited Li dendrites and polyacrylic backbones and succinonitrile plasticizer. Due to the reaction induced volume change, large amounts of cracks form inside the Li dendrites with a stress corrosion-cracking behavior, indicating that Li0cannot be passivated in this SPE system. Based on this observation, we then introduce additive engineering leveraging on the knowledge of liquid electrolytes, and demonstrate that the Li 0 surface can be effectively protected against corrosion using fluoroethylene carbonate (FEC), leading to densely packed Li 0 domes with conformal and stable solid-electrolyte interphases (SEIs) films. Owing to the high room temperature ionic conductivity of 1.01 mS/cm -1 , the high transference number of 0.57 and the stabilized lithium electrolyte interface, this improved new SPE delivers an excellent lithium plating/stripping CE of 99% and 1800 hours of stable cycling in Li||Li symmetric cells (0.2 mA/cm -2 , 1mAh/cm -2 ). Furthermore, this improved cathodic stability along with the high anodic stability enables record high cycle life of >2000 cycles for Li||LiFePO 4 and >400 cycles for Li||LiCoO 2 full cells.

25 ENERGY STORAGE↗

DOE OSTI2026

Simulations of positron injector for Ce+BAF

A baseline concept for a continuous wave (CW) polarized positron injector was developed for the Continuous Electron Beam Accelerator Facility (CEBAF) at Jefferson Lab. This concept is based on the generation of CW longitudinally polarized positrons by a high-current, polarized electron beam (1 mA, 130‑370 MeV, and 90% longitudinal polarization) that passes through a rotating, water-cooled, tungsten target. The simulation results for the Ce+BAF injector at the Low Energy Recirculator Facility (LERF) are presented, including positron beam generation, capture, energy selection, and acceleration to 123 MeV. The positron yield (or positron current) and longitudinal polarization are calculated considering the longitudinal and transverse CEBAF acceptances (<1% energy spread, <1 mm bunch length and normalized emittance of <100 mm mrad). The impact of target thickness, drive electron beam energy, and transverse size on positron yield within the required emittance limit is evaluated.

Accelerator Physics↗

DOE OSTI2023

Mechanistic understanding of aging behaviors of critical-material-free Li 4 Ti 5 O 12 //LiNi 0.9 Mn 0.1 O 2 cells with fluorinated carbonate-based electrolytes for safe energy storage with ultra-long life span

Behind-the-meter storage (BTMS) systems - a viable method to minimize potential risk of blackout events and stabilize the grid - require a different type of cost-effective energy storage with excellent safety, ultra-long (>20 years) cycle life and reasonable energy density compared that of electric vehicles. To increase the energy density and reduce the cost of a long-term cyclable lithium-titanate-based cell, it is required to employ a critical-material-free high voltage cathode and an electrolyte with good electrochemical and transport properties. In this report the long-term electrochemical performance and behaviors of selected critical-material-free Li 4 Ti 5 O 12 (LTO)//LiNi 0.9 Mn 0.1 O 2 (LNMO) full cells for BTMS applications are evaluated and analyzed in the optimized voltage range of 1.4-2.7 V at 45 degrees C with different fluorinated carbonate-based electrolytes. The fluoroethylene carbonate (FEC)-based electrolyte cell shows the highest capacity retention of 57.9% and Coulombic efficiency (CE) of 99.96% after 1000 cycles, potentially attributed to a dense, homogenous and less resistive LiF-rich solid-electrolyte interphase (SEI) layer formed on the surface of LTO that may mitigate electrolyte decomposition and maintain relatively low cell impedance during cycling. The 3,3,3-fluoroethylmethyl carbonate (F-EMC)-based electrolyte cell, however, presents the worst performance with lower capacity and a sharp decrease of CE, due to unstable and non-uniform SEI formation and continuous oxidative electrolyte decomposition. This mechanistic understanding of cell aging behaviors and failure mechanisms with detailed analysis of surface chemistry and electrode morphology can guide design of new electrode chemistries and electrolyte formulations for the development of BTMS batteries.

25 ENERGY STORAGE↗

DOE OSTI2026

Positron Injector for Ce+BAF

A baseline concept for a continuous wave (CW) polarized positron injector was developed for the CEBAF at Jefferson Lab. This concept is based on the generation of CW longitudinally polarized positrons by a high-current, polarized electron beam 1 mA, 130-370 MeV, and 90% longitudinal polarization that passes through a rotating, water-cooled, tungsten target. The simulations for the Ce+BAF injector at the Low Energy Recirculator Facility (LERF) are performed, including positron beam generation, capture, energy selection, and acceleration to 123 MeV. The positron yield (or positron current) and longitudinal polarization are calculated considering the longitudinal and transverse CEBAF acceptances (<1% energy spread, 1.2 mm bunch length and normalized emittance of 100 mm·mrad). The impact of target thickness, electron beam energy, and transverse size on positron yield within the required emittance limit is evaluated. Target thermal and structural FEM analyses (ANSYS Fluent) are performed to determine the maximum electron beam current and minimum transverse beam size on the target.

Benesch, Jay [Thomas Jefferson National Accelerato↗

DOE OSTI2025

Selection of Target Thickness and Size of Drive Electron Beam for Ce+BAF Injector

A baseline concept for a continuous wave (CW) polarized positron injector was developed for the Continuous Electron Beam Accelerator Facility (CEBAF) at Jefferson Lab. This concept is based on the generation of CW longitudinally polarized positrons by a high-current, polarized electron beam (1 mA, 130-370 MeV, and 90% longitudinal polarization) that passes through a rotating, water-cooled, tungsten target. The positron yield and longitudinal polarization are calculated for the 123 MeV Ce+BAF injector at the Low Energy Recirculator Facility (LERF). The longitudinal and transverse CEBAF acceptances, defined as an energy spread of less than 1% and a normalized emittance of less than 100 mm·mrad, have been used in these calculations. The impact of target thickness, transverse electron beam size, and electron beam energy on the yield and polarization of a positron injector is evaluated. The total energy deposited by the beams in the tungsten target and the peak energy density are calculated for different target thicknesses, electron beam sizes, and energies.

Ushakov, Andriy [Thomas Jefferson National Acceler↗

DOE OSTI2025

Energy migration and scintillation kinetics in compositionally complex (Gd 1/4 Y 1/4 Tb 1/4 Lu 1/4 ) 3 Al 5 O 12 :Ce single crystal scintillator

It is well-established that compositional tuning through binary admixture can improve scintillation performance in several materials systems, including Ce-activated garnets. Although recent work on ternary or quaternary cation admixture shows promise, the impact of this increased compositional complexity on thermal stability and carrier-defect dynamics has not been addressed. Here, we investigate a compositionally complex garnet, (Gd 1/4 Y 1/4 Tb 1/4 Lu 1/4 ) 3 Al 5 O 12 :Ce (GYTLAG), grown by the Czochralski method using temperature-dependent photoluminescence (PL), PL decay, and thermoluminescence (TL). PL and PL decay measurements support a thermally activated Tb 3+ -Ce 3+ energy transfer, where Tb 3+ emission dominates below 60 K, but Ce 3+ emission increases from 20-300 K. Thermal quenching of Ce 3+ emission occurs around T 50 = 508 K, with an activation energy of 0.6 eV. TL and wavelength-resolved TL spectra from 20–500 K show that GYTLAG contains similar trap groups to LuAG but with a broader distribution of glow peaks below room temperature, possibly caused by quaternary cation mixing. A combination of dose dependence, partial cleaning and initial rise, and glow curve fitting to a first order continuous Gaussian distribution model are used to understand the contribution of electronic point defects to scintillation decay and afterglow at room temperature. Furthermore, these results inform how increased compositional complexity influences recombination dynamics in garnet scintillators.

Compositionally complex↗

DOE OSTI2023

Polarized electron injector for positron production at CEBAF

As a part of the effort to expand the capabilities of CE-BAF 12 GeV (Continuous Electron Beam Accelerator Facility) at Jefferson Lab, the addition of a polarized positron source is considered. This capability would provide acceleration of high duty-cycle polarized posi-trons, with spin >60% polarization, through the same main CEBAF accelerator machine with appropriate mag-net field reversals and linac phasing to the four CEBAF experimental halls. To produce this positron beam, a high average current (3-10 mA) highly polarized electron beam with energy of 100 ? 150 MeV is required at the positron source target. The focus of this paper is the de-sign of that polarized electron beam injector. We will describe the production and delivery of a >3 mA highly polarized electron beam. We will discuss different aspects of the design, the photocathode gun, beam dynamics simulation results, spin manipulation, bunching and accelerating process and final electron beam parameters.

Kazimi, R.↗

DOE OSTI2022

Single-photoelectron collection efficiency in 4D ultrafast electron microscopy

In femtosecond (fs) 4D ultrafast electron microscopy (UEM), a tradeoff is made between photoelectrons per packet and time resolution. One consequence of this can be longer-than-desirable acquisition times for low-density packets, and particularly for low repetition rates when complete photothermal dissipation is required. Thus, gaining an understanding of photoelectron trajectories in the gun region is important for identifying factors that limit collection efficiency (CE; fraction of photoelectrons that enter the illumination system). Here, we continue our work on the systematic study of photoelectron trajectories in the gun region of a Thermo Fisher/FEI Tecnai Femto UEM, focusing specifically on CE in the single-electron regime. Using General Particle Tracer, calculated field maps, and the exact architecture of the Tecnai Femto UEM, we simulated the effects of fs laser parameters and key gun elements on CE. The results indicate CE strongly depends upon the laser spot size on the source, the (unbiased) Wehnelt aperture diameter, and the incident photon energy. The CE dispersion with laser spot size is found to be strongly dependent on aperture diameter, being nearly dispersionless for the largest apertures. A gun crossover is also observed, with the beam-waist position being dependent on the aperture diameter, further illustrating that the Wehnelt aperture acts as a simple, fixed electrostatic lens in UEM mode. This work provides further insights into the operational aspects of fs 4D UEM.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Deconvoluting the impact of current collector structure and electrolyte selection on Coulombic efficiency of lithium metal anodes

Lithium metal batteries are regarded as a promising avenue for significantly boosting the gravimetric energy density of batteries, particularly for electric vehicles. However, the instability of the lithium metal anode continues to hinder performance. While 3D structured current collectors for lithium metal anodes have been frequently proposed as a solution, few studies explore the impact of these structures when combined with various electrolytes and the inclusion of a lithium reservoir within the structure. This study pairs four commercially available copper current collectors with four different electrolytes to assess how these factors influence cycling performance with a 4 mAh/cm2 lithium reservoir. Coulombic efficiency (CE) measurements revealed no statistically significant difference in CE across different current collectors within the same electrolyte. However, significant variations were noted when the current collector remained intact, and the electrolyte was changed. Although polarization, electrochemical impedance, and lithium morphology varied between structures and electrolytes, no consistent patterns emerged to suggest superior performance by any specific current collector structure. Therefore, the choice of structure appears inconsequential when a lithium reservoir is present, and efforts should focus on selecting and designing the electrolyte.

White, Julia↗

DOE OSTI2024

Simulations of Positron Capture at Ce+BAF

We present a capture concept for the continuous wave (CW) polarized positron injector for the Continuous Electron Beam Accelerator Facility (CEBAF) at Jefferson Lab (Ce+BAF). This two-step concept is based on (1) the generation of bremsstrahlung radiation by a longitudinally polarized electron beam 1 mA, 120 MeV, 90% polarization), passing through a tungsten target, and (2) the production of e+e--pairs by these bremsstrahlung photons in the same target. To provide highly-polarized positron beams (>60% polarization) or high-current positron beams (>1 µA) with low polarization for nuclear physics experiments, the positron source requires a flexible capture system with an adjustable energy selection band. The results of beam dynamics simulations and calculations of the power deposited in the positron capture section are presented.

Ushakov, Andriy↗

DOE OSTI2024

Simulations of Positron Capture at Ce+BAF

Ushakov, Andriy↗

DOE OSTI2024

Status of the Ce+BAF project

Jefferson Lab is proposing to add positron beams to the 12 GeV Continuous Electron Beam Accelerator Facility (CEBAF). A team of accelerator and nuclear scientists was formed in 2018 to develop the physics case as well as a concept for the generation, production and delivery of Continuous (CW) polarized positron beams to the experimental halls, up to the full 12 GeV. A layout of the proposed concept will be shown. We will report on the ongoing efforts in the positron generation and capture, target design, beam transport and expected properties of the e+ beam on the experimental targets at 12GeV. This project is supported by the U.S. Department of Energy, Office of Science, Office of Nuclear Physics under contract DE-AC05-06OR23177

Roblin, Yves↗

DOE OSTI2024

Status of the Ce+BAF project

Roblin, Yves↗

DOE OSTI2022

Supercritical Methanol Solvolysis and Catalysis for the Conversion of Delignified Woody Biomass into Light Alcohol Gasoline Bioblendstock

Supercritical methanol (SCM) solvolysis and catalysis has recently emerged as a promising pathway to produce gasoline-range light alcohols from woody biomass through staged depolymerization and hydro-deoxygenation (DHDO). Here, structure-property relationships of Cu"M"AlO x catalysts (M = Mg, Zr, and Ce) are examined for upgrading delignified hybrid poplar via SCM-DHDO. CuCeAlO x displays the highest activity, increasing the C 2 -C 7 alcohol production rate and selectivity by twofold in batch reactions, and >50% in semicontinuous reactions relative to the current state-of-the-art CuMgAlO x . The performance of CuCeAlOx is correlated with its high reducibility and acidity. Cu sintering and biogenic impurity poisoning are identified as possible deactivation mechanisms over 60 h of continuous testing. The gasoline-range SCM-DHDO products are comprised of primarily aliphatic alcohols that result in improved energy density and favorably reduced vapor pressure, relative to ethanol, with the tradeoff of nonsynergistic octane blending with conventional gasoline and lower oxidation stability. Overall, this work highlights the potential to produce suitable light oxygenates by SCM-DHDO processing for gasoline bioblendstock applications.

09 BIOMASS FUELS↗

DOE OSTI2023

Positron beams at Ce+BAF

Positron beams would provide a new and meaningful probe for the experimental program at the Thomas Jefferson National Accelerator Facility (JLab). The JLab Positron Working Group, formed in 2018 and now with over 250 members from 75 institutions, continues to develop an experimental program with high duty-cycle positron beams including but not limited to future hadronic physics and dark matter experiments. Critical requirements involve generating positron beams with a high degree of spin polarization, sufficient intensity and a continuous-wave (CW) bunch train compatible with acceleration to 12 GeV at the Continuous Electron Beam Accelerator Facility (CEBAF). In this presentation we describe a start-to-end layout for positron beams at 12 GeV CEBAF utilizing the Low Energy Research Facility (LERF) at Jefferson Lab to build two new injectors. A GaAs dc high voltage photo-gun first generates >1 mA of polarized electrons which are then accelerated to 80-150 MeV and directed to a high-power spinning W target for polarized bremsstrahlung and positron pair creation. A second injector then collects, bunches and accelerates the positrons to 123 MeV. The positron beams are transported by a new beam line and injected into the CEBAF acceptance for acceleration to the end stations with energies up to 12 GeV. The layout is optimized to provide Users with positron spin polarization >60% and intensity greater than >100 nA, and with higher intensities when polarization is not required.

Benesch, J.↗