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At least 235 records · Page 13

Platinum Group Metals Global Economics Market Supply

Due to uncertainty in the transition away from internal combustion engines (and more importantly, the catalytic convertors these automobiles use), there is large uncertainty in the future of the PGM market. However, proton exchange membrane (PEM) electrolyzers could be a new demand application for PGMs. Therefore, a model was developed which utilizes the system dynamics approach to predict supply and prices for specific demand scenarios. Results indicated that the total PGM market value sees a decline in the late 2020s due to changing automotive application demand. Market decline was due to decreasing internal combustion engine (ICE) vehicle demand resulting in less PGMs supplied for automotive applications. Compounding market decline was an increase in secondary supply of PGMs as more ICE automotives reach their EOL pushing PGM prices down as secondary supply increases while demand simultaneously decreases. Following the market decline, an increase in market value in the early 2030s was observed due to deployment of hydrogen fuel cell technologies and subsequent increase in PGM demand

Kulkarni, Sameer (0000000227573592)↗

Mapping Interfacial Solution Forces that Drive Fluorescent Nanoparticle Incorporation into Crystals

Interfacial solution structure governs processes ranging from catalytic and electrochemical reactions to particle aggregation and crystallization. Here, we design bio-inspired nanocomposites by mapping interfacial forces and controlling nanoparticle incorporation during crystal growth. Our analytical model contains measured kinetic barriers for surface approaches and equilibrium binding constants with the crystal surface. We validate this model using fluorescent silica nanoparticles and calcite. Our results show that surface chemistry dictates incorporation pathways: methoxy groups are least favorable, hydroxyls reduce kinetic barriers by interacting favorably with hydration layers, carboxylates bind strongly but must overcome a kinetic barrier, and amines outperform all kinetically and thermodynamically. This framework resolves the interplay between interfacial solution structures, particle forces and dynamics, and growth kinetics, enabling predicative control of nanocomposite formation and multiplexed mixed-particle systems.

Zhang, Mingyi [Pacific Northwest National Laborato↗

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↗

Light-induced electron spin qubit coherences in the purple bacteria reaction center protein

Photosynthetic reaction center proteins (RCs) provide ideal model systems for studying quantum entanglement between multiple spins, a quantum mechanical phenomenon wherein the properties of the entangled particles become inherently correlated. Following light-generated sequential electron transfer, RCs generate spin-correlated radical pairs (SCRPs), also referred to as entangled spin qubit (radical) pairs (SQPs). Understanding and controlling coherence mechanisms in SCRP/SQPs is important for realizing practical uses of electron spin qubits in quantum sensing applications. The bacterial RC (bRC) provides an experimental system for exploring quantum effects in the SCRP P 865 + Q A − , where P 865 , a special pair of bacteriochlorophylls, is the primary donor, and Q A is the primary quinone acceptor. In this study, we focus on understanding how local molecular environments and isotopic substitution, particularly deuteration, influence spin coherence times (T M ). Using high-frequency electron paramagnetic resonance (EPR) spectroscopy, we observed that the local environment surrounding P 865 and Q A plays a significant role in determining T M . Our findings show that while deuteration led to a modest increase in T M , particularly at low temperatures, but the effect was substantially smaller than predicted by classical nuclear spin diffusion alone. This result is in contrast to our previous study of the photosystem I (PSI) RC, where no increase in T M was observed upon deuteration. Theoretical modeling identified several methyl groups at key distances from the spin centers of both bRC and PSI, and methyl group tunneling at low temperatures has been previously suggested as a mechanism for enhanced spin decoherence. Additionally, our study revealed a strong dependence of spin coherence on the orientation of the external magnetic field, highlighting the influence of the protein microenvironment on spin dynamics. In conclusion, these results offer new insights for optimizing coherence times in quantum system design for quantum information science and sensing applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

ML based control systems for nuclear physics experiments

The Experimental Physics Software and Computing Infrastructure (EPSCI) group at Jefferson Lab is leading the use of machine learning (ML) to enhance control systems in nuclear physics experiments. Collaborating closely with domain experts and data scientists, we have developed an ML-based control system that uses a Gaussian process to dynamically adjust the high voltage of the GlueX Central Drift Chamber. This results in stable detector performance by adapting to environmental changes, thereby reducing the offline calibration effort. Furthermore, we are developing ML-driven systems for optimizing the polarization of photon beams and polarized cryotargets. These systems will maintain the optimal microwave frequency in cryogenic targets and make real-time adjustments to diamond radiators for polarized photon sources, tasks traditionally handled by human operators. By automating these functions, we aim to optimize the polarization, reduce downtime, and minimize human error. This talk will highlight the development of reliable ML-based control systems and the policies to ensure they are both effective and trustworthy.

Jeske, Torri↗

Solar Energy Innovation Network 2017-2024: Abbreviated Final Technical Report

This material is based upon work supported by the U.S. Department of Energy's (DOE) Office of Energy Efficiency and Renewable Energy (EERE) Solar Energy Technologies Office under the Agreement/Award Number 32954 for Solar Energy Innovation Network (SEIN) Project, 2017-2024. SEIN is a dynamic program that assembles diverse teams of stakeholders to research solutions to real-world challenges associated with solar energy adoption. In conjunction with its partner organizations, NREL implemented the program by providing research, analysis, and technical expertise directly to project teams and groups of teams (cohorts), by facilitating networked learning through cohorts and peer exchange, and by facilitating dissemination and replication of solutions and lessons learned among stakeholders across the U.S. with similar challenges.

14 SOLAR ENERGY↗

Investigating Bacterial-Fungal Interactions using Fungal Highway Columns in Diverse Environments and Substrates

Bacterial-fungal interactions (BFIs) play an integral role in shaping microbial community composition, biogeochemical functions, spatial dynamics, and microbial dispersal. Mycelial networks created by filamentous fungi or other filamentous microorganisms (e.g., Oomycetes) act as 'fungal highways' that can be utilized by bacteria for transport throughout heterogeneous environments, greatly facilitating their mobility and granting them access to regions that may be challenging or impossible to reach on their own (e.g., due to air pockets within the soil). Several devices and experimental protocols have been created to study these fungal highways, including fungal highway columns. The fungal highway column designed by our group can be used for a variety of in situ or in vitro applications, as well as with diverse environmental and host-associated sample types. Herein, we describe the methods for performing experiments with these columns, including designing, printing, sterilizing, and preparing the devices. The options for analyzing data obtained from the use of these devices are also discussed here, and troubleshooting advice regarding potential pitfalls associated with experiments using fungal highway columns is offered. These devices can be used to gain a more comprehensive understanding of the diversity, mechanisms, and dynamics of fungal highway BFIs to provide valuable insights into the structural and functional dynamics within complex environments (e.g., soils) and across diverse habitats in which bacteria and fungi co-exist.

59 BASIC BIOLOGICAL SCIENCES↗

The decay of HIV under anti-retroviral therapy is biphasic even in humanized mice with just T cells

HIV-1 plasma viral load decays in a biphasic manner during antiretroviral therapy (ART). It was hypothesized that this is due to infection of different cell types, namely CD4+ T cells and macrophages. We studied this possibility directly by modeling the decay of HIV-1 in humanized mice. We utilized previously published data from humanized T-cell only mice (TOM) and myeloid-only mice (MOM) infected with HIV-1 and treated with a potent ART regimen. Viral load decay dynamics were modeled using either a single or a biexponential decay fitted using nonlinear mixed effects techniques. Fits were compared using the corrected Bayesian information criterion (BICc). In TOM, the biphasic model was significantly better than a single-phase decay model (ΔBICc ≈ 16) despite additional parameters. In MOM, the biphasic decay was statistically better, but there was substantial uncertainty because the virus goes below detection very fast. The first-phase half-life was consistent between groups (1.2 days in MOM and 1.3 days in TOM) and similar to the half-life estimated in human infection. The second-phase decay in these mice was minimal likely due to low initial viral loads. Additional analyses with mice containing both CD4+ T cells and macrophages or X4-tropic virus-infected MOM mice confirmed the biphasic pattern, demonstrating the robustness of this result. The biphasic decline in HIV-1 occurs, even with only CD4+ T cells, refuting the hypothesis that distinct cell populations (CD4+ T cells and macrophages) drive each decay phase. These findings support an alternative model in which the observed dynamics arise from intrinsic properties of the viral infection lifecycle rather than from cellular compartmentalization.

59 BASIC BIOLOGICAL SCIENCES↗

Dynamic Nanopeptide Assemblies for Trans-Tympanic Drug Delivery

Aim: Otitis media is a common otolaryngologic diagnosis worldwide. Invasive methods to curtail and treat frequent occurrences are undesirable, thus necessitating the identification and production of a non-invasive approach to treating the disease. Due to tympanic membrane thickness, ototopical drug delivery is challenging. In this preliminary study, formulations integrating nanopeptides and thermoresponsive polymeric hydrogels are utilized to improve the efficiency of trans-tympanic membrane drug delivery. Methods: Peptides were synthesized using standard Fmoc (fluorenylmethoxycarbonyl protecting group) based solid state peptide synthesis on an automated peptide synthesizer. Ciprofloxacin release was simulated using multiwell microplates with porous inserts. Rate of Ciprofloxacin release was measured over a 48-hour period using a 200 uL solution of peptide fibers and Ciprofloxacin at 1 wt% each, and the labeled peptide at 0.1 wt% in PBS at pH of 7.4. The cytotoxicity of the PA (peptide amphiphile, specifically c16-AHL 3 K 3 -CO 2 H) micelle and fiber with and without ciprofloxacin was investigated by examining epidermal keratinocyte viability in the presence of the material at various concentrations. Laser scanning confocal microscopy was performed with excitation of the calcein dye at 485 nm and the PA-TAMRA (rhodamine labeled peptide) at 515 nm. Results: We have demonstrated the potential viability of a self-assembled peptide amphiphile hydrogel capable of transitioning from a network of 1D nanoscale fibers to 0D micelles. This dissociative mechanism of action yields a peptide that is an effective cell penetrating peptide (CPP) while temporally controlling the release of the antibiotic ciprofloxacin. Conclusion: This work highlights the potential utility of the dynamic process of an engineered peptide hydrogel capable of dissociating into CPPs capable of facilitating drug delivery across the tympanic membrane.

cell culture↗

Enhanced Ion Transport and Molecular Packing Stability in Asymmetric 2D Nanostructured π‐Conjugated Thieno[3,2‐b]Thiophene‐Based Liquid Crystal

Organic semiconductors based on liquid crystal (LC) molecules have attracted increasing interest. Here, in this work, two linear LCs based on 2,5‐bis(thien‐2‐yl)thieno[3,2‐b]thiophene (BTTT) mesogen are designed and synthesized, including BTTT/dEO3 with two symmetrically attached tri(ethylene oxide) groups and BTTT/mEO6 with one asymmetrically attached hexa(ethylene oxide) group. These two molecules have comparable functional‐group compositions but different molecular geometries, leading to their moderately different material performances. Both LCs show smectic mesophases with relatively low transition temperatures as confirmed by differential scanning calorimetry and polarized optical microscopy. A combination of experimental grazing incidence wide‐angle X‐ray scattering and molecular dynamics (MD) simulations reveals a herringbone packing motif of BTTT segments in both LCs while a smaller molecular tilt angle in BTTT/mEO6. Ionic conductivities are measured by doping LCs with different amounts of ionic dopants, lithium bis(trifluoromethanesulfonyl)imide (LiTFSI). BTTT/mEO6 shows better smectic phase stability to higher LiTFSI doping ratios. Both LCs exhibit similar ionic conductivities in the smectic phases, but BTTT/mEO6 outperforms BTTT/dEO3 by a factor of three in the amorphous phase at higher temperatures. MD simulations, performed to examine the ion solvation environment, reveal that BTTT/mEO6 is more efficient in coordinating Li‐ions and screening their interactions with TFSI‐ions which further promote ionic transport.

grazing incidence wide-angle X-ray scattering↗

Pressure‐Induced Structural and Magnetic Evolution in Layered Antiferromagnet YbMn 2 Sb 2

Electronic states under pressure exhibit unconventional spin and charge dynamics that provide a powerful route to uncover exotic phases in quantum materials. Here, we present the structural, magnetic, and electronic evolution of YbMn 2 Sb 2 under pressure. Single-crystal X-ray diffraction reveals a pressure-induced structural transition from the space group trigonal P$\overline{3}$m1 to the monoclinic P2 1 /m phase near 3.5 GPa, which remains stable up to 10 GPa. Magnetization measurements display an anomalously weak net magnetic moment and the absence of Curie–Weiss behavior up to 400 K, suggesting the formation of short-range Mn moment pairs that cancel macroscopically and subsequently evolve into long-range order upon cooling. Temperature-dependent resistivity shows semiconducting behavior with a transition at ∼119 K at ambient pressure, while pressure induces a dramatic suppression of resistance and the emergence of metallic-like temperature dependence, stabilized beyond 5 GPa. This pressure-driven semiconductor-metal transition is consistent with our density functional theory calculations, confirming the closing of the band gap under compression. Neutron diffraction under pressure identifies an incommensurate magnetic structure with antiparallel correlations between paired spins. Together, these results demonstrate how pressure-driven structural tuning and competing exchange interactions stabilize unconventional magnetic states in this low-dimensional magnetic semiconductor.

antiferromagnetic semiconductor↗

Damage Dynamics and Problems of Scale for Induced and Triggered Seismicity in Reservoirs

In this report, we present a high-level summary of the research we performed on this grant during the years 2017-2024. It is important to note that several of these years were the years of the COVID pandemic, and our research activities were severely impacted by these events, as were many other groups and investigators. However, we can report that we largely achieved the results we proposed. We also list below the papers published under funding from this grant over all those years.

04 OIL SHALES AND TAR SANDS↗

$S^5$: Tidal Disruption in Crater 2 and Formation of Diffuse Dwarf Galaxies in the Local Group

We present results of a spectroscopic campaign around the diffuse dwarf galaxy Crater 2 (Cra2) and its tidal tails as part of the Southern Stellar Stream Spectroscopic Survey ($S^5$). Cra2 is a Milky Way dwarf spheroidal satellite with extremely cold kinematics, but a huge size similar to the Small Magellanic Cloud, which may be difficult to explain within collisionless cold dark matter. We identify 143 Cra2 members, of which 114 belong to the galaxy's main body and 29 are deemed part of its stellar stream. We confirm that Cra2 is dynamically cold (central velocity dispersion $2.51^{+0.33}_{-0.30}\,{\rm km\,s^{-1}}$) and also discover a $\approx$7$σ$ velocity gradient consistent with its tidal debris track. We separately estimate the stream velocity dispersion to be $5.74^{+0.98}_{-0.83}\,{\rm km\,s^{-1}}$. We develop a suite of $N$-body simulations with both cuspy and cored density profiles on a realistic Cra2 orbit to compare with $S^5$ observations. We find that the velocity dispersion ratio between Cra2 stream and galaxy ($2.30^{+0.41}_{-0.35}$) is difficult to reconcile with a cuspy halo with fiducial concentration and an initial mass predicted by standard stellar mass$-$halo mass relationships. Instead, either a cored halo with relatively small core radius or a low-concentration cuspy model can reproduce this ratio. Despite tidal mass loss, Cra2 is metal-poor ($\langle \rm[Fe/H]\rangle=-2.16\pm0.04$) compared to the stellar mass$-$metallicity relation for its luminosity. Other diffuse dwarf galaxies similar to Cra2 in the Local Group (Antlia 2 and Andromeda 19) also challenge galaxy formation models. Finally, we discuss possible formation scenarios for Cra2, including ram-pressure stripping of a gas-rich progenitor combined with tides.

Limberg, Guilherme [Chicago U., KICP; Chicago U.] ↗

Designing a Dynamic Material via Interlocking Kraft Lignin with Ultrahigh Molecular Weight Poly(ethylene oxide)

The environmental issues stemming from plastic waste and the excessive use of petroleum-based chemicals are both concerning and urgent. To effectively address this problem, we need to adopt a comprehensive approach involving developing more sustainable and renewable materials. These materials should be capable of demonstrating similar or even better performance than functional polymers synthesized from petroleum-based chemicals. Our research aims to develop more sustainable materials by leveraging the intrinsic characteristics of a natural polymer, lignin, a byproduct of the biorefinery industries. We utilized the three-dimensional branching structure of lignin as a material framework. We employed an approach to co-reactive melt processing of kraft lignin with aliphatic flexible chains of soft cross-linkers through the reaction of the cross-linker epoxy chain ends with lignin functional groups. Our study demonstrates that the interlocked structure formed from the co-blending of kraft lignin with ultrahigh molecular weight poly(ethylene oxide) and the cross-linking of lignin chains through a solvent-free process can manipulate the macromolecular interactions and relaxation. This manipulation results in materials that exhibit a wide range of thermomechanical properties and self-healing and shape memory effects, with drastically improved stiffness in a single material. We have explored the fundamental understanding of the macromolecular chain relaxation dynamics originating from the interlocking structure formation. In conclusion, this investigation utilized various techniques, including thermal, mechanical, rheology, and quasi-elastic neutron scattering.

36 MATERIALS SCIENCE↗

Slow-Light Mid-IR Silicon Photonic Chips for NO 2 and CH 4 Gas Detection

A compact, chip-scale mid-infrared gas sensor is demonstrated, leveraging a two-dimensional photonic crystal waveguide (PCW) fabricated on a silicon-on-insulator (SOI) platform. The PCW comprises a hexagonal lattice with lattice constant a = 860 nm and hole radius r = 0.22a, incorporating a central line defect of reduced-radius holes (r s = 0.7r) to induce slow-light propagation near the photonic band edge with a group index of approximately 73, thereby enhancing light-matter interaction. The sensor operates at fundamental absorption wavelengths of 3.42 μm for nitrogen dioxide (NO 2 ) and 3.40 μm for methane (CH 4 ), utilizing the strongest molecular vibrational transitions for maximum sensitivity. Experimental validation was conducted using dynamically diluted gas mixtures generated by mass flow controllers, with signal acquisition performed by a liquid nitrogen-cooled InSb detector. For NO 2 , the sensor exhibited excellent linear response over 5–25 ppm (part per million) with coefficient of determination R 2 = 0.9934, achieving a detection limit of 210 ppb (part per billion)─representing the first reported silicon photonic-based NO 2 detection. For CH 4 , exposure to 25 ppm resulted in a 6.4% decrease in transmitted intensity, demonstrating multigas sensing capability. The CMOS-compatible fabrication process and compact 3 mm device footprint establish this SOI-PCW platform as a scalable, low-power solution for integrated mid-infrared gas sensing, with significant potential for environmental monitoring and industrial safety applications.

Crystals↗

Superionic conduction in solid polymer electrolytes – decoupling ion transport from segmental relaxation

Solvent-free, solid polymer electrolytes (SPEs) are promising candidates for next-generation, electrochemical energy storage systems due to their potential to enhance safety and performance, enable flexible device architectures, and streamline manufacturing processes. Conventional SPEs suffer from limited ionic conductivity due to the strong coupling between ion transport and (generally slow) polymer segmental relaxation. The realization of superionic conduction in SPEs, in which ions move faster than the structural relaxation of the polymers, requires a shift in design principles to promote this type of decoupled ion motion. In this perspective, we discuss how polymer architecture, ion–ion correlations, and ion–polymer interactions can unlock superionic behavior. We highlight several key design features, such as crystallinity, bulky side groups, high molecular weight, and percolating ionic aggregation, with a focus on creating low-barrier transport pathways in various polymer systems. We also demonstrate opportunities to combine polymer chemistry and data science through high-throughput and automated screening approaches to reveal how phase behavior, ion dynamics, and ionic interactions govern transport, thereby potentially enabling data-driven discovery of superionic polymer electrolyte materials.

Yang, Mengying [Univ. of Delaware, Newark, DE (Uni↗

Experimental investigation into coal wettability changes caused by reactions with scCO 2 -H 2 O

Geological CO 2 sequestration (GCS) can help mitigate global warming and enhance methane recovery from coal beds. However, few studies have linked the effects of CO 2 to surface chemistry changes controlling wetting behavior in deep coal beds. Contact angles (CAs) of CO 2 /N 2 -high volatile bituminous coal-water systems were measured under different temperatures and pressures. The surface chemistry and physical structure of coals were characterized to investigate changes in physicochemical properties and their relations with wettability after reactions. For N 2 treatment, the time-dependence of static and dynamic CAs were insignificant, ranging within 4°. For gaseous CO 2 treatment, the static CAs and the average advancing angles increased slightly. With supercritical (sc) CO 2 , both the static and dynamic CAs increased significantly, and θ adv changed to intermediate-wet (92°). Reactions with minerals exposed to scCO 2 resulted in greater surface roughness and heterogeneity, greater contact angle hysteresis and more surface sites occupied by scCO 2 rather than H 2 O. Increases in hydrophobic functional groups and decreases in hydrophilicity were shown by FTIR spectra, reflecting the shedding of polar oxygen-containing functional groups, reduction of hydrogen bonds, and increasing percentage of hydrocarbons. XRD patterns obtained following scCO 2 -treatment showed that crystallite growth and molecular polymerization were higher toward graphite-like. The calculated structural parameters of functional groups and crystallites both showed elevated coal rank. Changes in crystallite structure, notably higher carbon content and decreased negative surface charge, are unfavorable for water-wetting. Finally, this study contributes to understanding surface chemistry changes responsible for decreased wettability during CO 2 -enhanced coal bed methane recovery and GCS in coal reservoirs.

01 COAL, LIGNITE, AND PEAT↗

Anisotropic Turbulent Flows Observed in Above-the-loop-top Regions during Solar Flares

Abstract Solar flare above-the-loop-top (ALT) regions are vital for understanding solar eruptions and fundamental processes in plasma physics. Recent advances in three-dimensional (3D) magnetohydrodynamic (MHD) simulations have revealed unprecedented details on turbulent flows and MHD instabilities in flare ALT regions. Here, for the first time, we examine the observable anisotropic properties of turbulent flows in ALT by applying a flow-tracking algorithm on narrow-band extreme-ultraviolet images that are observed from the face-on viewing perspective. First, the results quantitatively confirm the previous observation that vertical motions dominate and that the anisotropic flows are widely distributed in the entire ALT region with the contribution from both upflows and downflows. Second, the anisotropy shows height-dependent features, with the most substantial anisotropy appearing at a certain middle height in ALT, which agrees well with the MHD modeling results where turbulent flows are caused by Rayleigh–Taylor-type instabilities in the ALT region. Finally, our finding suggests that supra-arcade downflows (SADs), the most prominently visible dynamical structures in ALT regions, are only one aspect of turbulent flows. Among these turbulent flows, we also report the antisunward-moving underdense flows that might develop due to MHD instabilities, as suggested by previous 3D flare models. Our results indicate that the entire flare fan displays group behavior of turbulent flows where the observational bright spikes and relatively dark SADs exhibit similar anisotropic characteristics.

Xie, Xiaoyan (ORCID:0009000705827807)↗