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At least 289 records · Page 16

From Powder to Power: Tailored Pre-Milling Strategy that Optimizes Microstructure for Efficient Hydrogen Evolution

The hydrogen evolution reaction (HER) plays a critical role in enabling large-scale electrolytic hydrogen production and advancing future technologies and fuel production. Among non-precious metals, NiMo-based catalysts are particularly attractive due to their capability to promote both water dissociation and hydrogen adsorption in alkaline media. However, conventional NiMo catalysts often suffer from incomplete alloying, particle aggregation, weak metal–support interactions, and surface oxidation, which significantly limit active site utilization, electronic conductivity, and long-term stability. Herein, we report a scalable, solid-state, two-step ball milling strategy for constructing an efficient NiMo/C catalyst for the HER. Pre-milling the metal precursors prior to carbon incorporation promotes efficient solid-state activation, leading to the formation of uniformly alloyed, ultrafine, and defect-rich Ni–Mo nanoparticles with robust metal–carbon interfacial anchoring. Benefiting from this integrated structural design, the optimized NiMo/C catalyst exhibits low overpotentials and Tafel slopes, reduced charge-transfer resistance, and excellent durability under alkaline conditions. Comprehensive structural and surface analysis reveal that the enhanced HER performance can be attributed to the synergistic interplay of homogeneous Ni–Mo alloying, uniform nanoparticle dispersion on a defect-rich carbon scaffold, enhanced accessibility of catalytically active sites, and optimized electronic coupling that stabilizes the catalyst surface. This work highlights the two-step solid-state ball milling strategy as a simple, robust, and scalable route for the preparation of effective and durable non-precious metal HER electrocatalysts, offering practical insights toward large-scale and inexpensive hydrogen production.

Yang, Xiaoxuan [Oak Ridge National Laboratory (ORN↗

Reggeization of the Pion Exchange in Pion Photoproduction

At high energies, the production of light mesons induced by a photon beam interacting with a nucleon target is governed by the exchange of Regge trajectories in the t-channel. In charge-exchange reactions at small momentum transfer, unnatural parity exchanges, such as pion exchange, dominate. The point-like nature of the photon–pion interaction makes the pion photoproduction reaction an excellent way to study the pion exchange mechanism. However, the nucleon Born terms are required to ensure that the scattering amplitude is gauge invariant. The gauge invariance of the pion exchange amplitude is crucial in approaching its reggeization properly. Here we discuss a novel strategy to reggeize the pion pole which considers explicitly the exchange in the t-channel of all the mesons in the pion trajectory. Each of these exchanges contributes with a pole in spin, known as a Regge pole, and we perform their summation analytically.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Enabling aqueous processing for LiNi 0.80 Co 0.15 Al 0.05 O 2 (NCA)-based lithium-ion battery cathodes using polyacrylic acid

Replacing N-methyl-2-pyrrolidone (NMP) with water in the production of lithium-ion battery cathodes is critical to realizing process cost savings and improved worker safety. LiNi 0.80 Co 0.15 Al 0.05 O 2 (NCA) is a poor fit for aqueous processing due to destructive Al current collector corrosion resulting from highly basic slurries and detrimental surface reconstruction reactions that occur in water. In this study, polyacrylic acid (PAA, MW = 450,000 g·mol -1 ) is examined as a corrosion-mitigating and surface-stabilizing agent. Adding PAA to an aqueous NCA slurry can provide a stable pH (4.0–8.5) for at least 4 h, since the carboxyl groups from PAA dissociate and increase the proton concentration in the slurry. Further, these groups can also adsorb to the surface of NCA particles and provide electrostatic stability from active material particle agglomeration, as revealed by zeta potential measurements. Minor cracking does occur at the electrode surface; this cracking likely caused poorer adhesion to the Al current collector in the aqueous-processed film when compared to the NMP-processed baseline. Electrochemically, the leached Li does cause a lower initial capacity for the aqueous-processed cathode, though the capacity retention of the aqueous-processed cathode is better than the baseline. The cracks in the coating led to a rise in charge transfer resistance that hindered rate capability above 1C.

25 ENERGY STORAGE↗

Extension of the Hauser-Feshbach fission fragment decay model to multichance fission

The Hauser-Feshbach fission fragment decay model, HF 3 D, which calculates the statistical decay of fission fragments, has been expanded to include multichance fission, up to neutron incident energies of 20 MeV. The deterministic decay takes as input prescission quantities—fission probabilities and the average energy causing fission—and postscission quantities—yields in mass, charge, total kinetic energy, spin, and parity. From these fission fragment initial conditions, the full decay is followed through both prompt and delayed particle emissions, allowing for the calculation of prompt neutron and γ properties, such as multiplicity and energy distributions, both independent and cumulative fission yields, and delayed neutron observables. Here, we describe the implementation of multichance fission in the HF 3 D model, and show an example of prompt and delayed quantities beyond first-chance fission, using the example of neutron-induced fission on 235 U. This expansion represents significant progress in consistently modeling the emission of prompt and delayed particles from fissile systems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Investigation of post-breakup Coulomb acceleration using a trajectory model

Intermediate mass fragments ejected during the deexcitation of excited projectilelike fragments may promptly decay following ejection; the daughter particles that are subsequently produced are subject to interactions with the residual nucleus that affect final-state observables, a process herein referred to as post-breakup Coulomb acceleration. A simple classical Coulomb interaction model was used to study modification of 8 Be (2 + ), 5 Li (3/2 – ), 7 Li (7/2 – ), 7 Be (7/2 – ), and states in 12 B emitted following heavy-ion collisions of 28 Si + 12 C at 35 MeV/nucleon. Here, in contrast to previous work studying 8 Be (2 + ), excellent agreement between simulation and experiment was obtained using only Coulomb forces when either a Lorentzian or R-matrix line shape was used to describe the initial relative energy rather than a Gaussian. In consideration of the obtained results, improvements to the model and evaluation of experimental data are discussed as future directions, but it was concluded that the effects observed in the present data can be accurately described using only elements of classical mechanics and that the process is largely understood for a wide range of state lifetimes and mass and charge (a)symmetries.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Kinetic Monte Carlo Framework for Coupled Degradation and Dehydration of Anion Exchange Membranes

Kinetic Monte Carlo (kMC) simulations, augmented with temporal-acceleration schemes, can efficiently handle stiff reaction-transport networks when fast processes rapidly relax to quasi-equilibrium on a fixed lattice. However, in glassy anion-exchange membranes (AEM), rare and irreversible chemical degradation events continuously reshape the nanoscale morphology, and the associated hydration and transport degrees of freedom remain far from a well-defined local equilibrium. This combination of evolving state space and nonequilibrated fast dynamics lies outside the scope of existing kMC acceleration frameworks. Here, to address this challenge, we introduce an auxiliary-particle kinetic Monte Carlo (AP-kMC) scheme. In AP-kMC, short-lived mobile particles spawned at degradation sites execute hop, water-elimination, and decay moves, enforcing rapid local relaxation of the hydration structure while preserving the stochastic rules of kMC. Parameterized with molecular-dynamics morphologies and experimental solution degradation kinetics, AP-kMC reproduces the evolution of ion-exchange capacity, water uptake, and conductivity, and reveals a feedback loop in which poorly hydrated sites degrade first and each degradation event induces further local dehydration. The resulting thinning and fragmentation of water channels cause loss of hydrophilic percolation and abrupt conductivity collapse well before complete charge loss. AP-kMC thus reframes AEM durability as a coupled degradation–drying–percolation problem and provides a transferable strategy to simulate reactive, out-of-equilibrium polymer electrolytes where local solvation controls reactivity.

organic↗

Improved heavy-ion PID using scintillation light detector with neural network analysis: a Monte Carlo simulation study

The photon collection efficiency of gaseous scintillator detectors varies according to the position of the impinging charged particles in the medium that generates scintillation light. Thus, when impinging particles are distributed over a large area, the intrinsic photon-number resolution of the system is affected by a large variation. This work presents and discusses a method for adjusting the total number of detected photons to account for variation in the photon collection efficiency as a function of the position of the light source within the scintillating medium. The method was developed and validated by processing data from systematic simulation studies based on GEANT4 that model the response of the Energy Loss Optical Scintillation System (ELOSS) detector. The position of the charged particle is calculated using a deep neural network algorithm. This is accomplished by analyzing the distribution of scintillation light recorded by the array of photosensors. The estimated particle position is then used to calculate the correction factor and adjust the amount of captured light to account for variations in the photon collection efficiency. The neural network algorithm provides excellent tracking capabilities, achieving sub-millimeter position resolution and an angular resolution of 12 mrad, approaching the performance of traditional tracking detectors (e.g., drift chambers). The present method can be generalized to any optical scintillation system where the photon collection efficiency depends on the position of the impinging particle.

Heavy-ion detectors↗

Measurement of Charged Current Inclusive $\bar{V}_\mu$ Interactions and 2p2h Contribution Using the NOvA Near Detector

More precise measurements of the scattering of antineutrinos on nuclei in the few GeV region of incident energy, $E_{\nu}$, can reveal new aspects of $v/\bar{v}$ interactions and of nuclear structure, while providing information crucial to continued progress by neutrino oscillation experiments. This Thesis reports an investigation of charged current $\bar{v}_\mu$ interactions in the predominantly hydrocarbon medium of the NOvA Near Detector. The data are obtained with the detector exposed to a narrow-band $\bar{v}$ µ beam with spectral peak at E ν = 2.0 GeV, for a total accumulated exposure of 12.5×10$^{20}$ protons-on-target. The analysis expresses results in terms of three-momentum transfer,|$\vec{q}$| and available hadronic energy, $E$ avail . These variables approximate (q 0 , |$\vec{q}$|), the variables used in theoretical treatments of lepton scattering on multi-nucleon systems such as in 2-particle-2-hole (2p2h) processes. This Thesis delivers two core measurements: Firstly, the double-dierential cross section $d^2σ/d|\vec{q} |dE_{avail}$ for inclusive CC $\bar{v}_\mu$ interactions in the NOvA detector medium is obtained. The cross section has a roughly gaussian shape in its projection onto |$\vec{q}$|, while being largely concentrated at values of $E$ avail below 100 MeV. The single diferential cross sections dσ/d|$\vec{q}$| and dσ/dE avail are also obtained, and are compared to predictions based on the GENIE v3.0.6 neutrino generator augmented with four different implementations of 2p2h reactions. Secondly, the contribution of 2p2h reactions to the CC inclusive scattering sample is determined. Its presence is characterized in terms of double-differential and single-differential cross sections. The latter 2p2h distributions are compared to predictions from two experimental data-tune models and from two theory-based models, namely the SuSAv2 model and the Valencia model. Both of the theoretical models underpredict the measured cross-section strength and predict a shape for dσ/d|$\vec{q}$| that is flatter than the measured shape. Thus, this Thesis provides new information about CC antineutrino-nucleus scattering in the vicinity of Eν ~ 2 GeV, and it highlights improvements that are needed in theoretical treatments of 2p2h reactions.

43 PARTICLE ACCELERATORS↗

Primary fission fragment mass yields across the chart of nuclides

In this work, we have calculated a complete set of primary fission fragment mass yields, Y(A), for heavy nuclei across the chart of nuclides, including those of particular relevance to the rapid neutron capture process (r process) of nucleosynthesis. We assume that the nuclear shape dynamics are strongly damped, which allows for a description of the fission process via Brownian shape motion across nuclear potential-energy surfaces. The macroscopic energy of the potential was obtained with the Finite-Range Liquid-Drop Model (FRLDM), while the microscopic terms were extracted from the single-particle level spectra in the fissioning system by the Strutinsky procedure for the shell energies and the BCS treatment for the pairing energies. For each nucleus considered, the fission fragment mass yield, Y(A), is obtained from 50 000 to 500 000 random walks on the appropriate potential-energy surface. The full mass and charge yield, Y(Z,A), is then calculated by invoking the Wahl systematics. With this method, we have calculated a comprehensive set of fission-fragment yields from over 3800 nuclides bounded by 80 ≤ Z ≤ 130 and A ≤ 330; these yields are provided as an ASCII formatted database in the Supplemental Material. We compare our yields to known data and discuss general trends that emerge in low-energy fission yields across the chart of nuclides.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Simulations, Modeling and Data Analysis of Parity Violating Electron Scattering Experiments

In the Standard Model (SM) of nuclear and particle physics, parity violation is incorporated through the representation of the weak interaction as a chiral gauge interaction. Only the left-handed components of particles and right-handed components of antiparticles participate in weak interactions in the Standard Model. This implies that parity is asymmetric for the weak interaction. Parity violating electron scattering (PVES) experiments are designed to probe the physics parameters related to the SM, with the possibility to discover physics beyond the SM (BSM) by measuring the parity violating asymmetry ¿¿¿ of longitudinally polarized electrons scattered off unpolarized targets with high precision. This dissertation will be focused on two PVES experiments, the next 208Pb Lead Radius Experiment (PREX-II), and the Measurement of a Lepton-Lepton Electroweak Reaction (MOLLER) experiment, as well as in some small sections, the Calcium Radius Experiment (CREX) and P2 experiment which are also PVES experiments). PREX-II and CREX experiments, performed in Hall A at the Thomas Jefferson National Accelerator Facility (Jefferson Lab), measured ¿¿¿ in the elastic scattering of longitudinally polarized electrons from 208Pb and 48Ca targets to provide a precise model independent determination of the neutron skin thickness of 208Pb and 48Ca nuclei, respectively. The MOLLER experiment, proposed to start in 2027 and also to be performed in Hall A at Jefferson Lab, is to measure ¿¿¿ of longitudinally polarized electrons scattered off unpolarized electrons (Møller scattering) to determine the weak charge of electrons ¿¿¿ and the weak mixing angle ¿¿ with high precision. As for the P2 experiment, which will be performed at the upcoming MESA accelerator in Mainz Germany, it is to measure the weak charge of proton ¿¿¿ using ¿¿¿ in the elastic electron-proton scattering of polarized electrons off unpolarized protons. The final results from the PREX-II experiment are presented as ¿¿¿=550±16 (¿¿¿¿)±8 (¿¿¿¿) parts-per-billion (ppb). Combining the PREX-I and PREX-II results, the neutron skin thickness from PREX experiments is determined as ¿¿-¿¿=0.283±0.071 ¿¿ in 208Pb. This thesis lists the software and computational contribution of the author to these PVES experiments, including writing scripts and software to help with the PREX-II/CREX experiments, analyzing data to provide useful information and systematic uncertainty for the PREX-II experiment, modeling and simulations for the MOLLER, and providing an alternative design of an electronic equipment for the P2 experiment.

Chen, Yufan↗

Simulations, Modeling and Data Analysis of Parity Violating Electron Scattering Experiments

In the Standard Model (SM) of nuclear and particle physics, parity violation is incorporated through the representation of the weak interaction as a chiral gauge interaction. Only the left-handed components of particles and right-handed components of antiparticles participate in weak interactions in the Standard Model. This implies that parity is asymmetric for the weak interaction. Parity violating electron scattering (PVES) experiments are designed to probe the physics parameters related to the SM, with the possibility to discover physics beyond the SM (BSM) by measuring the parity violating asymmetry ¿¿¿ of longitudinally polarized electrons scattered off unpolarized targets with high precision. This dissertation will be focused on two PVES experiments, the next 208Pb Lead Radius Experiment (PREX-II), and the Measurement of a Lepton-Lepton Electroweak Reaction (MOLLER) experiment, as well as in some small sections, the Calcium Radius Experiment (CREX) and P2 experiment which are also PVES experiments). PREX-II and CREX experiments, performed in Hall A at the Thomas Jefferson National Accelerator Facility (Jefferson Lab), measured ¿¿¿ in the elastic scattering of longitudinally polarized electrons from 208Pb and 48Ca targets to provide a precise model independent determination of the neutron skin thickness of 208Pb and 48Ca nuclei, respectively. The MOLLER experiment, proposed to start in 2027 and also to be performed in Hall A at Jefferson Lab, is to measure ¿¿¿ of longitudinally polarized electrons scattered off unpolarized electrons (Møller scattering) to determine the weak charge of electrons ¿¿¿ and the weak mixing angle ¿¿ with high precision. As for the P2 experiment, which will be performed at the upcoming MESA accelerator in Mainz Germany, it is to measure the weak charge of proton ¿¿¿ using ¿¿¿ in the elastic electron-proton scattering of polarized electrons off unpolarized protons. The final results from the PREX-II experiment are presented as ¿¿¿=550±16 (¿¿¿¿)±8 (¿¿¿¿) parts-per-billion (ppb). Combining the PREX-I and PREX-II results, the neutron skin thickness from PREX experiments is determined as ¿¿-¿¿=0.283±0.071 ¿¿ in 208Pb. This thesis lists the software and computational contribution of the author to these PVES experiments, including writing scripts and software to help with the PREX-II/CREX experiments, analyzing data to provide useful information and systematic uncertainty for the PREX-II experiment, modeling and simulations for the MOLLER, and providing an alternative design of an electronic equipment for the P2 experiment.

Chen, Yufan↗

Estimating Residual Gas Beam Loss in the BNL AGS Booster:Model, Numerical Tools, and Implications for a Polarimeter Chamber

Beamloss from residual gas scattering is calculated for a storage ring of circumference C = 200m, covering a linear magnetic rigidity ramp from B ρ inj = 1.25Tm to B ρ ext = 9.50Tm over tramp = 1.00s. Three loss mechanisms are considered: nuclear inelastic reactions, single Coulomb scattering beyond the acceptance angle of the machine, and charge-state exchange for heavy ions. Calculations are performed for protons and Au 32+ ions, the latter being the charge state delivered by the EBIS pre-injector into the BNL AGS Booster. At a baseline vacuum of P 0 = 5 × 10 −11 mbar the integrated fractional beam loss over the full ramp is negligible for protons (< 0.001%) and 33.1% for Au 32+ . The impact of a 1m polarimeter section at elevated pressure P s = 5 × 10 −9 mbar is evaluated: the proton loss remains negligible, while the Au 32+ loss rises to 45.1%, establishing the vacuum requirement for the polarimeter chamber. In the present compact approximate model, Au 32+ losses are dominated by charge exchange at injection, while proton losses are dominated by single Coulomb scattering. The design, outgassing budget, pumping strategy, and commissioning sequence for a UHV polarimeter chamber housing silicon detectors and ASICs are described in detail.

43 PARTICLE ACCELERATORS↗

Probing Photoelectrochemical Hydrogen and Oxygen Evolution at Individual Al:SrTiO 3 /Rh 2–y Cr y O 3 Photocatalyst Particles

Particle-based photocatalysts for overall water splitting convert solar energy into hydrogen fuel without the use of any photovoltaic devices. As such they have the potential to revolutionize renewable energy production on Earth. While proven efficiencies have reached 1.1%, further improvements of photocatalyst technology depend on a better understanding of energy loss mechanisms on the individual particle level. Here, we conduct the first in operando photoelectrochemical measurements on individual micrometer-sized Al-doped SrTiO 3 /Rh 2–y CryO 3 photocatalyst particles. We find that the photocatalyst particles behave mainly as water oxidation photoanodes reaching up to 0.5 mA cm −2 at 0.8 V versus RHE and a photovoltage of ∼1.00 V under 4.7 mW cm −2 ultraviolet illumination. This proves that charge separation in the unbiased Al:SrTiO 3 /Rh 2–y Cr y O 3 catalyst is driven by a junction at the n-semiconductor-liquid contact. While O 2 is detected symmetrically around photocatalyst particles, uneven H 2 evolution profiles reflect an irregular Rh 2–y Cr y O 3 cocatalyst distribution. Additionally, the H 2 evolution activity varies significantly between different photocatalyst particles. Furthermore, this suggests that performance gains are possible by better controlling catalyst composition on the microscale.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Nanostructures for Electrical Energy Storage (NEES) (2020 Final Technical Report)

Nanostructures for Electrical Energy Storage (NEES, www.efrc.umd.edu) was an Energy Frontier Research Center supported by the DOE Office of Science, Basic Energy Sciences, from 8/1/2009 to 7/31/2020. Led by the University of Maryland, NEES enjoyed extensive collaborations with its funded partners, including two DOE Laboratories and six universities. The NEES vision has been to reveal a set of scientific insights and design principles that can underpin a next-generation electrical energy storage approach, building on advances in nanoscale science and technology to achieve simultaneous high power and high energy over extended charge/discharge cycling. The vision is motivated by the recognition that scaling into the nano regime opens the door to new physical phenomena and that the tools enlisted in nanoscale research provide major new opportunities for the synthesis not only of materials at molecular scale but for structures at nano scale and above. NEES has translated this vision into its research program based on two observations. First, while the behavior of ions and electrons in electrolytes and in electrode materials is crucial to electrical energy storage (or more appropriately electrochemical energy storage), it is the transport of ion and electron charge between different structural components of a storage device that ultimately determine its performance. With it well recognized that the choice of electrode materials typically constrain ion transport kinetics as well as maximum ion concentration, the search for better electrode materials has been a primary driver of battery research. At the same time the synthesis of electrodes is typically based on aggregation of particles with varying size, shape, and orientation in the electrode. Together with the presence of additional materials to impart electrical conductivity and cohesion to the composite electrode, change in electrode materials is necessarily accompanied by structural changes at the nano/micro scale that are difficult to categorize and manage. From the beginning, NEES’ vision has been to create and study simpler, highly controlled spatial arrangements of known materials as battery components (electrodes, current collectors, and electrolyte) and to understand how design and structure above the molecular scale determines the energy storage performance available from known materials. Second, advances in nanoscience dramatically expanded the portfolio of synthesis methods, structural motifs, and new phenomena available for research. Some of these gave rapid access to new building blocks at the deep nanoscale (e.g., carbon nanotubes grown by self-assembly, nanoscale arrays formed by electrochemical self-alignment, monolayer films controlled by self-limiting reaction). Such advances served as the enabler for the NEES vision to be pursued experimentally through study of 3D structures created and controlled at the nano, micro, and meso scales. Here, we use meso as in the BES MESO Report, implying not only intermediate or varying length scales, but very much the way behavior is influenced by other factors including aggregation of nanocomponents at different densities and spatial configurations, statistical variations in the aggregates, hierarchical architectures in which they can be assembled, or local 3D configurations that result from the architectures. Over its life cycle, NEES has pursued two overarching goals: (1) to understand the scientific fundamentals of electrochemical storage from the nanoscale to the mesoscale; and (2) to create and learn from innovative, controlled, heterogeneous nanostructures, where such nanostructures can enable the first goal and serve as models for future paradigms in energy storage. Specific goals have included: Synthesize heterogeneous nanostructures comprised of multiple materials arranged in controlled fashion and characterize their behavior; Demonstrate and elucidate design principles for achieving simultaneous high power and high energy; Develop materials processes which enable precision control of thin layers and 3D structures; Investigate the impact of artificial interphases on electrode stability during ion insertion/deinsertion; Create dense arrays of nanostructures to understand how the architecture of these assemblies, along with nanostructure design, influences energy storage behavior at the mesoscale; Identify and understand the consequences of nanoconfinement and local inhomogeneities in 3D mesoscale arrays; Develop and apply computational models to stimulate, guide and interpret experiments.

25 ENERGY STORAGE↗

Superscaling variable and neutrino energy reconstruction from theoretical predictions to experimental limitations

We introduce the novel approach of using the superscaling variable as an observable and an analysis tool in the context of charged current neutrino-nucleus interactions. We study the relation between the superscaling variable and the removal energy, in addition to other fundamental parameters of the neutrino-nucleus interaction models. In the second half of the paper, we discuss the experimental viability of this measurement following a study of neutrino energy and missing momentum reconstruction. We show that the superscaling variable is measurable in neutrino interaction experiments provided that the proton is detected in the final state. We discuss the resolution of this measurement, and the limitation imposed by the proton’s detection threshold. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Single Entity Electrochemistry in Nanopore Electrode Arrays: Ion Transport Meets Electron Transfer in Confined Geometries

Electrochemical measurements conducted in confined volumes provide a powerful and direct means to address scientific questions at the nexus of nanoscience, biotechnology, and chemical analysis. How are electron transfer and ion transport coupled in confined volumes and how does understanding them require moving beyond macroscopic theories? Also, how do these coupled processes impact electrochemical detection and processing? We address these questions by studying a special type of confined-volume architecture, the nanopore electrode array, or NEA, which is designed to be commensurate in size with physical scaling lengths, such as the Debye length, a concordance that offers performance characteristics not available in larger scale structures. The experiments described here depend critically on carefully constructed nanoscale architectures that can usefully control molecular transport and electrochemical reactivity. We begin by considering the experimental constraints that guide the design and fabrication of zero-dimensional nanopore arrays with multiple embedded electrodes. These zero-dimensional structures are nearly ideal for exploring how permselectivity and unscreened ion migration can be combined to amplify signals and improve selectivity by enabling highly efficient redox cycling. Our studies also highlight the benefits of arrays, in that molecules escaping from a single nanopore are efficiently captured by neighboring pores and returned to the population of active redox species being measured, benefits that arise from coupling ion accumulation and migration. These tools for manipulating redox species are well-positioned to explore single molecule and single particle electron transfer events through spectroelectrochemistry, studies which are enabled by the electrochemical zero-mode waveguide (ZMW), a special hybrid nanophotonic/nanoelectronic architecture in which the lower ring electrode of an NEA nanopore functions both as a working electrode to initiate electron transfer reactions and as the optical cladding layer of a ZMW. Furthermore, while the work described here is largely exploratory and fundamental, we believe that the development of NEAs will enable important applications that emerge directly from the unique coupled transport and electron-transfer capabilities of NEAs, including in situ molecular separation and detection with external stimuli, redox-based electrochemical rectification in individually encapsulated nanopores, and coupled sorters and analyzers for nanoparticles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Structural, magneto transport and magnetic properties of Ruddlesden–Popper La 2-2x Sr 1+2x Mn 2 O 7 (0.42≤x≤0.52) layered manganites

The magneto transport of Ruddlesden–Popper, La 2-2x Sr 1+2x Mn 2 O 7 (0.42≤x≤0.52), 2-dimensional bilayered manganites have been investigated in a broad temperature range. The samples have been synthesized using the solid-state reaction method. Rietveld refinement of the X-ray diffraction data indicates the tetragonal structure formation with I4/mmm space group. The resistivity curves of the samples present a general characteristic of metal-insulator (MI) transition at certain temperature (T MI ). Besides, for samples with x = 0.48, 0.50, and 0.52, at a certain temperature (T CO ) well below T MI the charge ordering is also evident. Furthermore, the samples display a shallow upturn in resistivity below T min due to the Kondo like spin scattering effect, weak localization and electron-phonon interaction. The high temperature semiconducting (T>T MI ) region, the resistivity curve follows the 3D Mott’s variable hopping transport mechanism. The overall suppression of resistivity accounts for a substantial magnetoresistance by applying a magnetic field and the characteristic change in T MI , T CO , and T min are discussed. Temperature-dependent magnetization demonstrates the suppression of ferromagnetism and evident of antiferromagnetic nature with an apparent charge ordering with increasing concentration of Sr 2+ .

36 MATERIALS SCIENCE↗

Application of machine learning in the determination of impact parameter in the 132 Sn+ 124 Sn system

Here, 132 Sn + 124 Sn collisions at a beam energy of 270 MeV/nucleon were performed at the Radioactive Isotope Beam Factory (RIBF) in RIKEN to investigate the nuclear equation of state. Reconstructing the impact parameter is one of the important tasks in the experiment as it relates to many observable. In this work, we employ three commonly used algorithms in machine learning, the artificial neural network (ANN), the convolutional neural network (CNN), and the light gradient boosting machine (LightGBM), to determine the impact parameter by analyzing either the charged particle spectra or several features simulated with events from the ultrarelativistic quantum molecular dynamics (UrQMD) model. To closely imitate experimental data and investigate the generalizability of the trained machine learning algorithms, incompressibility of nuclear equation of state and the in-medium nucleon-nucleon cross sections are varied in the UrQMD model to generate the training data. The mean absolute error Δb between the true and the predicted impact parameter is smaller than 0.45 fm if training and testing sets are sampled from the UrQMD model with the same parameter set. However, if training and testing sets are sampled with different parameter sets, Δb would increase to 0.8 fm. The generalizability of the trained machine learning algorithms suggests that these machine learning algorithms can be used reliably to reconstruct the impact parameter in experiment.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗