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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Efficient Fast Fractionation of Biomass Using a Diol-Based Deep Eutectic Solvent for Facilitating Enzymatic Hydrolysis and Obtaining High-Quality Lignin

Current DES pretreatment is often performed under relatively severe conditions with high temperature, long time, and high DES usage. This work studied a short-time diol DES (deep eutectic solvent) pretreatment under mild conditions to fractionate the bamboo, facilitate enzymatic hydrolysis, and obtain high-quality lignin. At an optimized condition of 130 °C for only 10 min, lignin and xylan removal reached 61.34% and 84.15 %, with residual glucan showing a ~90% enzymatic hydrolysis yield. Equally important, the dissolved lignin could be readily recovered with 97.51% yield, exhibiting 96.65 % β-O-4 preservation. The fractionation and lignin protection mechanisms were unveiled by XRD, FTIR, cellulose-DP, 2D HSQC NMR, 31 P NMR and GPC analysis. Finally, this study highlighted that short-time fractionation of bamboo can be achieved by a diol-based DES which is an ideal strategy to upgrade the lignocellulose biomass for high enzymatic hydrolysis yields and high-quality lignin stream.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Investigation of Drift Effects in UEDGE Simulations of NSTX-U Edge Plasma With Lithium Divertors

Lithium is a low-Z material, and lithium-based plasma-facing components (PFCs) are planned for the National Spherical Torus Experiment Upgrade (NSTX-U) to explore potential benefits for divertor power exhaust and core plasma management. NSTX-U is a medium-sized spherical tokamak with up to 12 MW of auxiliary heating, capable of generating reactor-relevant plasma conditions. This work presents boundary plasma simulations for NSTX-U with lithium PFCs using the UEDGE code, incorporating full magnetic and 𝐄 ×𝐁 drift physics. The simulations show that drifts strongly influence heat and particle transport: they enhance convective transport, broaden the scrape-off layer heat-flux width 𝜆 𝑞 , and reduce the anomalous heat diffusivity 𝜒 required to reproduce predicted SOL heat-flux width. 𝐄 ×𝐁 drifts provide poloidal transport, while ∇𝐵 (which includes both gradB and curvature) drifts provide radial heat and particle transport. Lithium transport is also affected by drifts, with lithium ions migrating from the outer divertor to the inner divertor through the private flux region (PFR) following the 𝐄 ×𝐁 drifts flow, lowering upstream impurity lithium densities. UEDGE is self-consistently coupled with the Wall-Li model to study plasma lithium PFC interactions depending on the local lithium sourcing based on local plasma conditions and lithium surface temperature. In these simulations, lithium evaporation shows a vapor-shielding effect that reduces divertor heat flux and increases radiative losses once surface temperatures exceed 450°C. This research work provides a first step toward self-consistent modeling of lithium PFCs in NSTX-U, demonstrating the impact of drift-driven plasma transport in SOL and divertor regions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Evolution of Electric Sector Water Use Under Alternative Electricity Futures

Increasing competition for water resources in the United States could create future challenges for allocating and using thermal cooling water in the U.S. electric power sector. While thermal power plant retirements and the growth of wind and solar technologies can reduce national aggregate power sector cooling water use, local water constraints and growing demand for agricultural or municipal supply could create greater needs for higher-cost alternative water supplies such as groundwater or recycled wastewater. For some regions, these incentives could change future electricity planning and operational decisions. These relationships and impacts are studied here using the National Renewable Energy Laboratory (NREL) Regional Energy Deployment System (ReEDS), a national electric sector planning model that has recently been upgraded to include a highly detailed representation of thermal cooling water demand and supply. Thermal power technologies are differentiated by both cooling technology and water source type to track and constrain thermal cooling water use in a way that incorporates both physical and legal water considerations in the United States. This capability is exercised under a range of electricity sector futures with alternative technology costs, fuel prices, and water constraints to illustrate ways that U.S. electric sector water use could evolve under uncertain future electric sector drivers. In exploring changes to regional generation and transmission planning and operation, water requirements, and cost, we highlight the environmental and economic impacts of future power sector water decisions.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

Advancing wildlife connectivity in land use planning: a case study with four-toed salamanders

Stable habitat connections that wildlife can safely traverse are essential to biodiversity conservation and healthy ecosystems. We developed high-resolution landscape connectivity models to predict resistance to movement by a threatened wetland-obligate amphibian, the four-toed salamander ( Hemidactylium scutatum ), and identified priority management areas on the 13,000-ha Department of Energy Oak Ridge Reservation (ORR) from 2019 to 2022. We developed a resistance surface based on aerial light detection and ranging data (LiDAR), >30 years of field-based mapping of forest, hydrologic, and geologic features, and contemporary population surveys, alongside derived predictors at <1-m resolution. We then modeled predicted movement corridors using a circuit theory-based modeling approach. We worked closely with land management and natural resources personnel to integrate ecological modeling with broader land use priorities, monetary costs, and feasibility. We identified important terrestrial and aquatic areas on ORR and simulated management scenarios to promote stable connections for four-toed salamanders. This approach allowed us to narrow down a list of 438 potential habitat manipulation sites to 10 sites where open-bottomed culverts and buffers could be implemented. This smaller-scale restoration approach produced a similar increase in landscape connectivity while costing <20% of a larger-scale approach based on barrier removal. We successfully identified feasible, cost-effective management strategies that integrated knowledge from a variety of sources. In conclusion, we offer a strategy that permitted integration of wildlife management goals into infrastructure upgrades wherein wildlife was not an initial consideration.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Effect of Iron Contamination and Polysilicon Gettering on the Performance of Polysilicon‐Based Passivating Contact Solar Cells

Over the past decade, silicon solar cells with carrier-selective passivating contacts based on polysilicon capping an ultra-thin silicon oxide (commonly known as TOPCon or POLO) have demonstrated promising efficiency potentials and are regarded as an evolutionary upgrade to the PERC (passivated emitter and rear contact) cells in manufacturing. The polysilicon-based passivating contacts also exhibit excellent gettering effects that relax the wafer and cleanroom requirements to some extent. Here, in this work, we experimentally explore the impact of bulk iron contamination and polysilicon gettering on the passivation quality of the polysilicon/oxide structure and the resulting solar cells performance. Results show that both n- and p-type polysilicon/oxide passivating contacts are not affected by iron gettering, demonstrating robust and stable passivation quality. However, for a very high bulk iron contamination (1 × 10 13 cm −3 ), the accumulated iron in the p-type lightly boron-doped emitter in crystalline silicon would degrade the emitter saturation current density. This can cause a reduction in both open-circuit voltage and short-circuit current. Meanwhile, this very high iron content (1 × 10 13 cm −3 ) can further degrade the fill factor and temperature coefficient of the cells. On the other hand, for an initial iron content of 2 × 10 12 cm −3 , which should be well above the iron level in the current industrial Czochralski silicon wafers, the resulting cells demonstrate similar performance as the control group with no intentional iron contamination. This work brings attention to both the benefits of polysilicon gettering effects as well as the potential degradation due to the accumulation of metal impurities in the p-type emitter region.

14 SOLAR ENERGY↗
DOE OSTI2026

Graph Identification of Proteins in Tomograms (GRIP-Tomo) 2.0: Topologically aware classification for proteins

Cryo-electron tomography (cryo-ET) enables structural characterization of biomolecules under near-native conditions. Existing approaches for interpreting the resulting three-dimensional volumes are computationally expensive and have difficulty interpreting density associated with small proteins/complexes. To explore alternate approaches for identifying proteins in cryo-ET data we pursued a Graph Network and topologically invariant approach. Here, we report on a fast algorithm that classifies particles by searching for nuances of evolutionarily conversed motifs and the geometrical characteristics of protein structure. GRIP-Tomo 2.0 is a machine-learning pipeline that extracts interpretable topological features of protein structures within noisy experimental backgrounds. Compared to version 1.0, the new pipeline includes three upgrades that significantly improve performance including synthetic tomogram generation simulating realistic noise, graph-based persistent feature extraction as protein fingerprints, and high-performance computing acceleration. GRIP-Tomo 2.0 achieves over 90% accuracy in classifying between proteins and noise using both real and synthetic datasets which represents a foundational step toward advancing cryo-ET workflows and empowering automated visual proteomics.

Li, Chengxuan↗
DOE OSTI2023

Sequential Separation of Linear, Mono–, and Di–Branched Hexane Isomers on a Robust Coordination Polymer with Nonbonding Flexibility

Efficient separation of hexane isomers is a crucial process for upgrading gasoline. Herein, the sequential separation of linear, mono-, and di-branched hexane isomers by a robust stacked 1D coordination polymer termed as Mn-dhbq ([Mn(dhbq)(H 2 O) 2 ], H 2 dhbq = 2,5-dihydroxy-1,4-benzoquinone) is reported. The interchain space of the activated polymer is of optimal aperture size (5.58 Å) that could exclude 2,3-dimethylbutane, while the chain structure can discriminate n-hexane with high capacity (1.53 mmol g –1 at 393 K, 6.67 kPa) by high-density open metal sites (5.18 mmol g –1 ). With the temperature- and adsorbate-dependent swelling of interchain spaces, the affinity between 3-methylpentane and Mn-dhbq can be deliberately controlled from sorption to exclusion, and thus a complete separation of ternary mixture can be achieved. Column breakthrough experiments confirm the excellent separation performance of Mn-dhbq. Furthermore, the ultrahigh stability and easy scalability further highlight the application prospect of Mn-dhbq for separation of hexane isomers.

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

Benchmarking of X‐Ray Fluorescence Microscopy with Ion Beam Implanted Samples Showing Detection Sensitivity of Hundreds of Atoms

Abstract Single impurities in insulators are now often used for quantum sensors and single photon sources, while nanoscale semiconductor doping features are being constructed for electrical contacts in quantum technology devices, implying that new methods for sensitive, non‐destructive imaging of single‐ or few‐atom structures are needed. X‐ray fluorescence (XRF) can provide nanoscale imaging with chemical specificity, and features comprising as few as 100 000 atoms have been detected without any need for specialized or destructive sample preparation. Presently, the ultimate limits of sensitivity of XRF are unknown – here, gallium dopants in silicon are investigated using a high brilliance, synchrotron source collimated to a small spot. It is demonstrated that with a single‐pixel integration time of 1 s, the sensitivity is sufficient to identify a single isolated feature of only 3000 Ga impurities (a mass of just 350 zg). With increased integration (25 s), 650 impurities can be detected. The results are quantified using a calibration sample consisting of precisely controlled numbers of implanted atoms in nanometer‐sized structures. The results show that such features can now be mapped quantitatively when calibration samples are used, and suggest that, in the near future, planned upgrades to XRF facilities might achieve single‐atom sensitivity.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Environmental Benefits of Closing the Solar Manufacturing and Recycling Loop: Preparation of Solar Manufacturing Inventories

The cumulative global solar panel waste stream is projected to reach between 60 and 78 million tonnes by 2050. Steps towards developing, demonstrating, and implementing processes that recover glass, metals, and semiconductor materials from end-of-life solar panels have already been taken. However, these processes result in the downcycling of most secondary solar materials. Critically, the costs and benefits of capturing these secondary materials for use in new solar panels are unknown. To evaluate the environmental benefit associated with solar material recycling and reuse in next generation panels, prior inventories must be updated and prepared for integration with recycling processes to examine the benefit of closing the material loop between solar panel end-of-life and new panel manufacturing. This current work describes steps taken to upgrade existing inventories that detail the manufacturing of cadmium-telluride (CdTe) panels from the Ecoinvent -v2.2 life cycle inventory database to Ecoinvent -v3. During this update, material inventories were modified to capture different realistic material supply chains within the constraints of Ecoinvent -v3. Materials discussed in detail in this work include primary flat glass, aluminum, steel, copper, and CdTe. This work demonstrated that environmental indicators such as embodied carbon, acidification, and terrestrial eutrophication associated with solar panel production can be reduced by 25% to over 40% through improved primary material sourcing.

CdTe solar panels↗
DOE OSTI2026

Cosmic Axion Background detection using resonant cavity arrays

The axion is a well-motivated and generic extension of the Standard Model. If produced in the early universe, axions may still be relativistic today, forming a Cosmic Axion Background (CaB) potentially detectable in direct detection experiments. Although CaB is expected to be broadband, which makes it challenging to be detected, a high-quality-factor microwave cavity acts as a narrowband filter with response peaked at its resonant frequency. We propose a new strategy using multi-cavity arrays to distinguish signal from background noise by exploiting spatial correlations of the axion-induced electric field which are set by the cavity quality factor. We compute the two-point correlation function for electric fields in spatially separated cavities sourced by an isotropic CaB. Analyzing various cavity geometries, we find that stacked, wide-base cavity arrays offer coherent enhancement of the axion signal. We apply our formalism to prospective upgrades of the ADMX experiment, including configurations with four and eighteen coupled cavities. Although these arrays do not achieve a coherent enhancement, optimizing the geometry could potentially yield an $\mathcal{O}(1)$ improvement in the sensitivity to the CaB.

Axions and ALPs↗
DOE OSTI2021

Dark scalars and heavy neutral leptons at DarkQuest

The proposed DarkQuest beam dump experiment, a modest upgrade to the existing SeaQuest/SpinQuest experiment, has great potential for uncovering new physics within a dark sector. We explore both the near-term and long-term prospects for observing two distinct, highly-motivated hidden sector benchmark models: heavy neutral leptons and Higgs-mixed scalars. We comprehensively examine the particle production and detector acceptance at DarkQuest, including an updated treatment of meson production, and light scalar production through both bremsstrahlung and gluon-gluon fusion. In both benchmark models, DarkQuest will provide an opportunity to probe previously inaccessible interesting regions of parameter space on a fairly short timescale when compared to other proposed experiments.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

FACET: a new long-lived particle detector in the very forward region of the CMS experiment

We describe a proposal to add a set of very forward detectors to the CMS experiment for the high-luminosity era of the Large Hadron Collider to search for beyond the standard model long-lived particles, such as dark photons, heavy neutral leptons, axion-like particles, and dark Higgs bosons. The proposed subsystem is called FACET for Forward-Aperture CMS ExTension, and will be sensitive to any particles that can penetrate at least 50 m of magnetized iron and decay in an 18 m long, 1 m diameter vacuum pipe. The decay products will be measured in detectors using identical technology to the planned CMS Phase-2 upgrade.

Particle and Resonance Production↗
DOE OSTI2020

Testing Yukawa unification at LHC Run-3 and HL-LHC

We explore t-b-τ Yukawa unification (YU) in a supersymmetric SU(4) c × SU(2) L × SU(2) R model without imposing a discrete left-right (L-R) symmetry. A number of interesting solutions that are compatible with t-b-τ YU, LSP neutralino dark matter (DM), and LHC and other experimental constraints are identified. In particular, they include gluino-neutralino and stau-neutralino coannihilation scenarios, where the NLSP gluino mass can range from 1–3 TeV. Higgsino-like dark matter solutions are also identified for which gluino masses can approach 5 TeV or so. This scenario will be tested at LHC Run-3 and its future upgrades.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Proton decay in supersymmetric SU(4) c × SU(2) L × SU(2) R

We discuss proton decay in a recently proposed model of supersymmetric hybrid inflation based on the gauge symmetry SU(4) c × SU(2) L × SU(2) R . A U(1) R symmetry plays an essential role in realizing inflation as well as in eliminating some undesirable baryon number violating operators. Proton decay is primarily mediated by a variety of color triplets from chiral superfields, and it lies in the observable range for a range of intermediate scale masses for the triplets. The decay modes include p → e + (μ + ) + π 0 , p→$\bar{ν}$+π + , p → K 0 + e + (μ + ), and p → K + +$\bar{ν}$, with a lifetime estimate of order 10 34 –10 36 yrs and accessible at Hyper-Kamiokande and future upgrades. The unification at the Grand Unified Theory (GUT) scale M GUT (~ 10 16 GeV) of the Minimal Supersymmetric Standard Model (MSSM) gauge couplings is briefly discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Enhancing sensitivities to long-lived particles with high granularity calorimeters at the LHC

The search for long-lived particles (LLP) is an exciting physics opportunity in the upcoming runs of the Large Hadron Collider. In this paper, we focus on a new search strategy of using the High Granularity Calorimeter (HGCAL), part of the upgrade of the CMS detector, in such searches. In particular, we demonstrate that the high granularity of the calorimeter allows us to see “shower tracks” in the calorimeter, and can play a crucial role in identifying the signal and suppressing the background. We study the potential reach of the HGCAL using a signal model in which the Standard Model Higgs boson decays into a pair of LLPs, h → XX. After carefully estimating the Standard Model QCD and the misreconstructed fake-track backgrounds, we give the projected reach for both an existing vector boson fusion trigger and a novel displaced-track-based trigger. Our results show that the best reach for the Higgs decay branching ratio, BR(h → XX), in the vector boson fusion channel is about O(10 –4 ) with lifetime cτ X ~ 0.1–1 meters, while for the gluon gluon fusion channel it is about O(10 –5 – 10 –6 ) for similar lifetimes. For longer lifetime cτ X ~ 103 meters, our search could probe BR(h → XX) down to a few ×10 –4 (10 –2 ) in the gluon gluon fusion (vector boson fusion) channels, respectively. In comparison with these previous searches, our new search shows enhanced sensitivity in complementary regions of the LLP parameter space. We also comment on many improvements can be implemented to further improve our proposed search.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Current and future neutrino oscillation constraints on leptonic unitarity

The unitarity of the lepton mixing matrix is a critical assumption underlying the standard neutrino-mixing paradigm. However, many models seeking to explain the as-yet-unknown origin of neutrino masses predict deviations from unitarity in the mixing of the active neutrino states. Motivated by the prospect that future experiments may provide a precise measurement of the lepton mixing matrix, we revisit current constraints on unitarity violation from oscillation measurements and project how next-generation experiments will improve our current knowledge. With the next-generation data, the normalizations of all rows and columns of the lepton mixing matrix will be constrained to ≲10% precision, with the e-row best measured at ≲1% and the τ-row worst measured at ~10% precision. The measurements of the mixing matrix elements themselves will be improved on average by a factor of 3. We highlight the complementarity of DUNE, T2HK, JUNO, and IceCube Upgrade for these improvements, as well as the importance of ντ appearance measurements and sterile neutrino searches for tests of leptonic unitarity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Pole skipping in holographic theories with gauge and fermionic fields

Abstract Using covariant expansions, recent work showed that pole skipping happens in general holographic theories with bosonic fields at frequencies i(l b −s)2πT, wherel b is the highest integer spin in the theory andstakes all positive integer values. We revisit this formalism in theories with gauge symmetry and upgrade the pole-skipping condition so that it works without having to remove the gauge redundancy. We also extend the formalism by incorporating fermions with general spins and interactions and show that their presence generally leads to a separate tower of pole-skipping points at frequencies i(l f −s)2πT,l f being the highest half-integer spin in the theory andsagain taking all positive integer values. We also demonstrate the practical value of this formalism using a selection of examples with spins 0,$$ \frac{1}{2} $$ 1 2 ,1,$$ \frac{3}{2} $$ 3 2 ,2.

Physics↗
DOE OSTI2023

Photon-rejection power of the Light Dark Matter eXperiment in an 8 GeV beam

The Light Dark Matter eXperiment (LDMX) is an electron-beam fixed-target experiment designed to achieve comprehensive model independent sensitivity to dark matter particles in the sub-GeV mass region. An upgrade to the LCLS-II accelerator will increase the beam energy available to LDMX from 4 to 8 GeV. Using detailed GEANT4-based simulations, we investigate the effect of the increased beam energy on the capabilities to separate signal and background, and demonstrate that the veto methodology developed for 4 GeV successfully rejects photon-induced backgrounds for at least 2 × 10 14 electrons on target at 8 GeV.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

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