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At least 1,315 records · Page 73

Expansion of Machine-Learning Method for Classifying Neutron Resonances

The understanding of astrophysics processes and the performance of nuclear reactors and other nuclear systems depend on a precise description of the neutron interaction cross sections for materials and nuclei present in these environments. At low neutron energies, these cross sections exhibit resonance structure represented by sharp enhancements when the neutron energy is sufficiently close to excited levels in a compound nucleus. Such resonances can be characterized by their quantum numbers relative to angular momenta, which are often deduced in an ad hoc and irreproducible manner from the shape of the cross sections. The correct assignment of the quantum numbers of neutron resonances is therefore of paramount importance. To address this we have developed a machine-learning method to automate the identification and correction of these spin assignments. The algorithm is trained from simulated data, generated from statistical properties of resonance data for a given nucleus, to mimic the errors found in real data. In this project we describe five independent approaches to further develop and expand the applicability of the machine-learning spin classifier: i) Feature impact; ii) Integration with the Atlas; iii) Training optimization; iv) Spacings systematics; and v) Validation with polarized data. The premises, methods, results, and future perspectives are discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Finite element analyses of single particle crushing tests incorporating computed tomography imaging and damage mechanics

Fracture of individual grains within a granular assembly affect the strength and deformation behavior of granular materials under large stress states. Interparticle forces, leading to contact stresses and ultimately fracture initiation, are influenced by particle morphology. A numerical method that incorporates both particle fracture and morphology can provide a more accurate model of a granular material’s macro-scale response. This research investigates an approach to modeling fracture initiation and propagation within individual grains, utilizing high resolution X-ray computed tomography (CT) imaging to consider grain morphology and an explicit finite element code optimized for high performance computing which incorporates damage mechanics. Using precisely measured force-displacement curves from single particle crushing tests of manufactured quartz spheres, the method is validated, and the effects of fracture properties on grain fragmentation are determined. This approach is then used to simulate single particle crushing of Ottawa sand, with grain morphology incorporated through discretized CT images. Here the effect of grain orientation on the force and applied displacement at catastrophic splitting is also explored. The proposed discrete particle based finite element framework can be applied to modeling granular assemblies, considering the effect of individual particle shape and fracture on the assembly’s deformation response through well calibrated numerical simulations.

42 ENGINEERING↗

Coherent Vibrational Wavepacket Dynamics in Platinum(II) Dimers and Their Implications

Vibrational coherence in the metal-metal-to-ligand-charge transfer (MMLCT) excited state of cyclometalated platinum dimers with a pseudo C 2 symmetry was investigated where two nearly degenerate transitions from HOMO (metal-metal σ* orbital) to higher energy ligand π* orbitals could be simultaneously induced. We observed oscillatory features in femtosecond degenerate transient absorption (TA) signals from complexes [(ppy)Pt(μ- t Bu 2 pz)] 2 (1) and anti-[(ppy)Pt(μ-pyt)] 2 (2), which are attributed to coherent nuclear motions that modulate the HOMO (antibonding σ*) energy level, and hence the energy for the MMLCT transition. The characteristics of such coherent nuclear motions, such as the oscillatory frequency and the dephasing time, differ between 1 and 2 and are explained by mainly two structural factors that could influence the vibrational coherence, the Pt-Pt distance (2.97 Å for 1 vs. 2.85 Å for 2) and molecular shape (1 in an “A” frame vs. 2 in an “H” frame). Because the electronic coupling between the two Pt atoms determines the energy splitting of the bonding σ and antibonding σ* orbital, the Pt-Pt stretching mode coupled to the MMLCT transition changes the inter Pt distance from that of the ground state. Interestingly, while 1 shows a single PtPt stretching frequency of 120 cm-1 in the MMLCT state, 2 exhibits multiple downshifted frequencies (80 and 105 cm-1) in the MMLCT state along with a shorter vibrational dephasing time than 1. Based on the ground state optimized structures and Raman calculations, the changes evident in the vibrational wavepaket dynamics in 2 are closely correlated with the “H” framed geometry in 2 compared to the “A” frame in 1, leading to the sharp increase in - interaction between ppy ligands. Although the TA experiments do not directly reveal the ultrafast intersystem crossing (ISC) because of a strong coherent spike at early timescales, the dependence of the vibrational wavepacket dynamics on molecular geometry can be understood based on previously proposed potential energy surfaces (PES) as function of PtPt distance, suggesting that the interaction between the cyclometalating ligands can be a key factor in determining the PtPt shortening and the related energy relaxation dynamics in the Pt(II) dimers. Further experiments using femtosecond broadband TA and X-ray scattering spectroscopy are planned to investigate directly the ISC and PtPt contraction, to support the relationship between ground state molecular geometry and photoinduced structural changes in the Pt(II) dimers.

Kim, Pyosang↗

Landscape rules predict optimal superhighways for the first peopling of Sahul

Archaeological data and demographic modelling suggest that the peopling of Sahul required substantial populations, occurred rapidly within a few thousand years and encompassed environments ranging from hyper-arid deserts to temperate uplands and tropical rainforests. How this migration occurred and how humans responded to the physical environments they encountered have, however, remained largely speculative. By constructing a high-resolution digital elevation model for Sahul and coupling it with fine-scale viewshed analysis of landscape prominence, least-cost pedestrian travel modelling and high-performance computing, here we create over 125 billion potential migratory pathways, whereby the most parsimonious routes traversed emerge. Our analysis revealed several major pathways—superhighways—transecting the continent, that we evaluated using archaeological data. These results suggest that the earliest Australian ancestors adopted a set of fundamental rules shaped by physiological capacity, attraction to visually prominent landscape features and freshwater distribution to maximize survival, even without previous experience of the landscapes they encountered.

54 ENVIRONMENTAL SCIENCES↗

Antiferromagnetism in the van der Waals layered spin-lozenge semiconductor CrTe 3

We have investigated the crystallographic, magnetic, and transport properties of the van der Waals bonded, layered compound CrTe 3 on single-crystal and polycrystalline materials. Furthermore, the crystal structure contains layers made up of lozenge-shaped Cr 4 tetramers. Electrical resistivity measurements show the crystals to be semiconducting, with a temperature dependence consistent with a band gap of 0.3 eV. The magnetic susceptibility exhibits a broad maximum near 300 K characteristic of low dimensional magnetic systems. Weak anomalies are observed in the susceptibility and heat capacity near 55 K, and single-crystal neutron diffraction reveals the onset of long-range antiferromagnetic order at this temperature. Strongly dispersive spin waves are observed in the ordered state. Significant magnetoelastic coupling is indicated by the anomalous temperature dependence of the lattice parameters and is evident in structural optimization in van der Waals density functional theory calculations for different magnetic configurations. The cleavability of the compound is apparent from its handling and is confirmed by first-principles calculations, which predict a cleavage energy 0.5 J / m 2 , similar to graphite. Based on our results, CrTe 3 is identified as a promising compound for studies of low dimensional magnetism in bulk crystals as well as magnetic order in monolayer materials and van der Waals heterostructures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Exploring Structure-Sensitive Relations for Small Species Adsorption Using Machine Learning

Accurate prediction of adsorption energies on heterogeneous catalyst surfaces is crucial to predicting reactivity and screening materials. Adsorption linear scaling relations have been developed extensively but often lack accuracy and apply to one adsorbate and a single binding site type at a time. These facts undermine their ability to predict structure sensitivity and optimal catalyst structure. Using machine learning on nearly 300 density functional theory calculations, we demonstrate that generalized coordination number scaling relations hold well for oxygen- and high-valency carbon-binding species but fail for others. Here we reveal that the valency and the electronic coupling of a species with the surface, along with the site type and its coordination environment, are critical for small species adsorption. The model simultaneously predicts the adsorption energy and preferred site and significantly outperforms linear scalings in accuracy. It can expose the structure sensitivity of chemical reactions and enable enhanced catalyst activity via engineering particle shape and facet defects. The generality of our methodology is validated by training the model with transition metal data and transferring it to predict adsorption energies on single-atom alloys.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Liquid xenon scintillation measurements and pulse shape discrimination in the LUX dark matter detector

Weakly Interacting Massive Particles (WIMPs) are a leading candidate for dark matter and are expected to produce nuclear recoil (NR) events within liquid xenon time-projection chambers. Here, we present a measurement of liquid xenon scintillation characteristics in the LUX dark matter detector and develop a pulse shaped based discrimination parameter to be used for particle identification. To accurately measure the scintillation characteristics, we develop a template-fitting method to reconstruct the detection time of photons. Analyzing calibration data collected during the 2013-16 LUX WIMP search, we measure a singlet-to-triplet scintillation ratio for electron recoils (ER) that is consistent with existing literature, and we make a first-ever measurement of the NR singlet-to-triplet ratio at recoil energies below 74 keV. A prompt fraction discrimination parameter exploits the difference of the photon time spectra for NR and ER events and is optimized to have the least number of ER events that occur in the 50% NR acceptance region. When this discriminator is used in conjunction with charge-to-light discrimination on the calibration data, the signal-to-noise ratio in the NR dark matter acceptance region increases by up to a factor of two.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Kinematic Design of Serial Link Manipulators From Task Specifications

The Reconfigurable Modular Manipulator System (RMMS) consists of modular links and joints that can be assembled into many manipulator configurations. This capability allows the RMMS to be rapidly reconfigured to custom tailor it to specific tasks. An important issue related to the RMMS is the determination of the optimal manipulator configuration for a specific task. This article addresses the problem of mapping kinematic task specifications into a kinematic manipulator configuration. For the design of two-degrees-of-freedom (2- DOF) planar manipulators, an analytical solution is derived. Because analytical solutions become impractical for problems with more than two design parameters, we have also developed a numerical approach for the design of 6-DOF manipulators. The numerical procedure determines the Denavit-Hartenberg (D-H) parameters of a nonredundant manipulator with joint limits that can reach a set of specified positions/orientations in an environment that may include parallelepiped-shaped obstacles. Finally, this approach is demonstrated with a three- dimensional example for a 6-DOF manipulator.

42 ENGINEERING↗

Controlling $H_{3}^{+}$ Formation From Ethane Using Shaped Ultrafast Laser Pulses

An adaptive learning algorithm coupled with 3D momentum-based feedback is used to identify intense laser pulse shapes that control $H_{3}^{+}$ formation from ethane. Specifically, we controlled the ratio of D 2 H + to $D_{3}^{+}$ produced from the D 3 C-CH 3 isotopologue of ethane, which selects between trihydrogen cations formed from atoms on one or both sides of ethane. We are able to modify the D 2 H + :$D_{3}^{+}$ ratio by a factor of up to three. In addition, two-dimensional scans of linear chirp and third-order dispersion are conducted for a few fourth-order dispersion values while the D 2 H + and $D_{3}^{+}$ production rates are monitored. The optimized pulse is observed to influence the yield, kinetic energy release, and angular distribution of the D 2 H + ions while the $D_{3}^{+}$ ion dynamics remain relatively stable. We subsequently conducted COLTRIMS experiments on C 2 D 6 to complement the velocity map imaging data obtained during the control experiments and measured the branching ratio of two-body double ionization. Two-body $D_{3}^{+}$ + $C_{2}D_{3}^{+}$ is the dominant final channel containing $D_{3}^{+}$ ions, although the three-body D + $D_{3}^{+}$ + $C_{2}D_{2}^{+}$ final state is also observed.

74 ATOMIC AND MOLECULAR PHYSICS↗

Broadband hard X-ray attosecond pulses from extremely chirped electron beams

Attosecond pulses from free-electron lasers have opened the doors to atomic site-specific studies of bound electronic dynamics on their natural, sub-femtosecond timescales. Key to their success has been electron beam shaping techniques enabling the generation of sub-femtosecond current spikes with peak currents on the order of 10 kA. We demonstrate in an RF linac the generation of current spikes with extreme chirps on the order of 350 MeV/micron, directly competitive with the chirps expected from beam-driven plasma wakefield accelerators. Leveraging chirp-taper compensation, we use these highly chirped beams to generate hard X-ray attosecond pulses with bandwidths exceeding 30 eV, a factor of two beyond previous demonstrations. We simultaneously present the first explicit experimental evidence of chirp-taper compensation in an attosecond XFEL, finding that optimal tapering improves the bandwidth and pulse energy by factors of two and five, respectively, for our conditions. In addition to the immediate utility of such broadband hard X-ray pulses, electron beams with such extreme chirps can be utilized for unique new experimental modalities by performing further compression after the undulators. Such post-lasing compression can enable subsequent superradiant light emission at longer wavelengths, or direct excitation of quantum systems with the beam's intense space-charge field for unique attosecond pump-probe possibilities.

43 PARTICLE ACCELERATORS↗

Characterization of 6 Li-loaded pulse-shape-discriminating plastic scintillators

Lithium-loaded organic plastic scintillators combine sensitivity to γ rays with the ability to detect both fast and slow neutrons, making them valuable for applications in nuclear security and in basic nuclear and particle physics. The goal of this work is to characterize the neutron response of two custom lithium-loaded organic plastic scintillators developed at Lawrence Livermore National Laboratory. Both are ternary polystyrene-based formulations containing 1.5 wt.% 6 Li salts of isobutyric acid, but they differ in their primary and secondary dye compositions: one uses m-terphenyl as the primary fluor and with Exalite 404 as the wavelength shifter, whereas the other uses 2,5-diphenyloxazole (PPO) and 9,10-diphenyl-anthracene, respectively. The temporal response of the scintillators was measured via time-correlated single photon counting for γ-ray and neutron events. The proton light yield was measured using the double time-of-flight technique from 1.3 to 15 MeV at the 88-Inch Cyclotron at Lawrence Berkeley National Laboratory. For the slow neutron response, an AmBe source moderated with polyethylene was used, and the light output from the 6 Li(n,α)t reaction was characterized. Differences in ionization quenching and temporal response were observed between the two materials with the PPO-containing scintillator exhibiting higher ionization quenching. These results provide performance benchmarks that can guide the design and optimization of future lithium-loaded plastic scintillators for use in basic science and applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Design and optimization of a modular setup for measurements of three-dimensional spin polarization with ultrafast pulsed sources

ULTRASPIN is an apparatus devoted to the measurement of the spin polarization (SP) of electrons ejected from solid surfaces in a UHV environment. It is designed to exploit ultrafast light sources (free electron laser or laser high harmonic generation) and to perform (photo)electron spin analysis by an arrangement of Mott scattering polarimeters that measure the full SP vector. The system consists of two interconnected UHV vessels: one for surface science sample cleaning treatments, e-beam deposition of ultrathin films, and low energy electron diffraction/AES characterization. The sample environment in the polarimeter allows for cryogenic cooling and in-operando application of electric and magnetic fields. The photoelectrons are collected by an electrostatic accelerator and transport lens that form a periaxial beam that is subsequently directed by a Y-shaped electrostatic deflector to either one of the two orthogonal Mott polarimeters. The apparatus has been designed to operate in the extreme conditions of ultraintense single-X-ray pulses as originated by free electron lasers (up to 1 kHz), but it allows also for the single electron counting mode suitable when using statistical sources such as synchrotron radiation, cw-laser, or e-gun beams (up to 150 kcps).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Mixed gain detector configurations for time-resolved X-ray solution scattering

X-ray detection at X-ray free-electron lasers is challenging in part due to the XFEL's extremely short and intense X-ray pulses. Experimental measurements are further complicated by the large fluctuations inherent to the self-amplified spontaneous emission process producing the X-rays. At the Linac Coherent Light Source the ePix10ka2M detector offers multiple gain modes, and auto-ranging between these, to increase the dynamic range while retaining low noise. For diffuse scattering techniques, such as time-resolved X-ray solution scattering, where the shape of the scattering pattern largely does not change between exposures, a fixed mix of different gain modes offers many of the same advantages as auto-ranging. We find that configuring individual ASICs in separate gain modes does not impact the intensity linearity of the gain response and has a limited effect on the effective dynamic range in regions with different gain mode settings while avoiding the complexities of auto-ranging. Small (<5%) non-linear gain contributions arise when pixels on the same ASIC are configured in different gain modes. We present a configuration scheme that is designed to select the optimal mixed gain configuration to minimize effects of saturation in the high-/medium-gain region, while maximizing the number of pixels with higher gain to improve the signal-to-noise ratio.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Design and Production for Maximum Structural Efficiency With Respect to Fiber Orientation With Increased Understanding of Hybrid Fiber Flow Behavior

Discontinuous fiber-reinforced thermoplastic composites have gained considerable attention in automotive, aerospace, and other industries, due to their high-rate of production combined with their ability to attain complex and intricate shapes. Among other high-rate thermoplastic manufacturing processes, injection-molding is one of the most common manufacturing methods due to fast production and high surface finishing of complex geometries. Fiber orientation in discontinuous fiber composites plays a pivotal role in determining the mechanical, electrical, and thermomechanical properties, underscoring the necessity to comprehend fiber orientation in injection molded parts. Among different fiber types, glass and carbon fibers are most common in the composite industries. The recent trend of hybrid composites comprising both glass fiber (GF) and carbon fiber (CF) is also gaining importance in the automotive industry. Hybrid fiber options allow designers to optimize the balance between glass and carbon fibers by leveraging the high durability and low cost of GF while the strength and lightweight properties of CF. Consequently, comparing the fiber oriented distribution (FOD) of injection molded composites containing GF, CF, and a hybrid of GF/CF is critical to investigating the local mechanical properties of intricate structures for high-end applications. In Phase I of this project, FOD in injection-molded panels with respect to distance from the gate was analyzed using X-ray computed tomography (X-CT) for GF, CF, and hybrid CF/GF (CGF) reinforced nylon 66. To understand the reason behind the FOD with different fiber types, computational fluid dynamics (CFD) and rheology were performed. Samples were extracted at three locations: near the gate, center, and opposite end. Thickness of the layers of typical skin-shell-core type FOD varies with fiber type and location. GF achieved flow direction alignment (in shell) earlier than viscous CF and CGF near the gate, whereas CF showed the highest flow-direction alignment at the center due to shear induced orientation. At the opposite end, GF experienced more backflow than others indicating faster mold filling owing to its lower viscosity. Hybrid CGF exhibited GF-dominated center and CF-dominated end region. The numerical model used to obtain FOD and rheological predictions for the CF and GF composites served to corroborate the trends observed in the experimental trials. The FOD responses across fiber types and location were reflected in their longitudinal and transverse properties. Only GF showed higher longitudinal modulus over transverse modulus near the gate attributed to rapid alignment, whereas CF and CGF exhibited opposite trend. However, fountain flow enhanced the longitudinal modulus over transverse modulus with the distance for all, particularly for CF. This study offers insights into mold filling behavior of different fibers which are critical in optimizing injection molding conditions for tailored final properties.

36 MATERIALS SCIENCE↗

Overview of the TCV tokamak program: Scientific progress and facility upgrades

The TCV tokamak is augmenting its unique historical capabilities (strong shaping, strong electron heating) with ion heating, additional electron heating compatible with high densities, and variable divertor geometry, in a multifaceted upgrade program designed to broaden its operational range without sacrificing its fundamental flexibility. The TCV program is rooted in a three-pronged approach aimed at ITER support, explorations towards DEMO, and fundamental research. A 1 MW, tangential neutral beam injector (NBI) was recently installed and promptly extended the TCV parameter range, with record ion temperatures and toroidal rotation velocities and measurable neutral-beam current drive. ITER-relevant scenario development has received particular attention, with strategies aimed at maximizing performance through optimized discharge trajectories to avoid MHD instabilities, such as peeling-ballooning and neoclassical tearing modes. Experiments on exhaust physics have focused particularly on detachment, a necessary step to a DEMO reactor, in a comprehensive set of conventional and advanced divertor concepts. The specific theoretical prediction of an enhanced radiation region between the two X-points in the low-field-side snowflake-minus configuration was experimentally confirmed. Fundamental investigations of the power decay length in the scrape-off layer (SOL) are progressing rapidly, again in widely varying configurations and in both D and He plasmas; in particular, the double decay length in L-mode limited plasmas was found to be replaced by a single length at high SOL resistivity. Experiments on disruption mitigation by massive gas injection and electron-cyclotron resonance heating (ECRH) have begun in earnest, in parallel with studies of runaway electron generation and control, in both stable and disruptive conditions; a quiescent runaway beam carrying the entire electrical current appears to develop in some cases. Developments in plasma control have benefited from progress in individual controller design and have evolved steadily towards controller integration, mostly within an environment supervised by a tokamak profile control simulator. TCV has demonstrated effective wall conditioning with ECRH in He in support of the preparations for JT-60SA operation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Ethanol Monitoring Gas Sensor Based on Flower-Shaped Copper Sulfide by a Facile Hydrothermal Method for Marine Transportation

Flower-shaped CuS as a p-type gas-sensing material was synthesized by a facile hydrothermal method in this study. Morphology, structure, and chemical composition of the synthesized CuS gas-sensing material were analyzed by SEM, XRD, XPS, and N{sub 2} adsorption adsorption–desorption technique. Gas-sensing properties of the as-prepared CuS sensors were also investigated toward ethanol monitoring. The results showed that the flower-like CuS nanostructures consisted of interconnected nanosheets and exhibited good crystallinity. With the increase in ethanol concentration, the sensitivity of the CuS sensor significantly increased and indicated a roughly linear relationship at the optimal operating temperature of 260 °C. The ethanol-selective characteristics of the CuS sensor against other interfering gases including methanol, benzene, dichloromethane, and hexane were studied, and the gas response of the CuS sensor synthesized at 170 °C toward 100 ppm ethanol was 5.22, which was significantly higher than all the other gases. Moreover, 14-day continuous measurement further confirmed the excellent stability of the CuS sensor.

36 MATERIALS SCIENCE↗

Specifications and pre-production of n + -in-p large-format strip sensors fabricated in 6-inch silicon wafers, ATLAS18, for the Inner Tracker of the ATLAS Detector for High-Luminosity Large Hadron Collider

Abstract The ATLAS experiment is constructing new all-silicon inner tracking system for HL-LHC. The strip detectors cover the radial extent of 40 to 100 cm. A new approach is adopted to use p-type silicon material, making the readout in n + -strips, so-called n + -in-p sensors. This allows for enhanced radiation tolerance against an order of magnitude higher particle fluence compared to the LHC. To cope with varying hit rates and occupancies as a function of radial distance, there are two barrel sensor types, the short strips (SS) for the inner 2 and the long strips (LS) for the outer 2 barrel cylinders, respectively. The barrel sensors exhibit a square, 9.8 × 9.8 cm 2 , geometry, the largest possible sensor area from a 6-inch wafer. The strips are laid out in parallel with a strip pitch of 75.5 μm and 4 or 2 rows of strip segments. The strips are AC-coupled and biased via polysilicon resistors. The endcap sensors employ a “stereo-annulus” geometry exhibiting a skewed-trapezoid shapes with circular edges. They are designed in 6 unique shapes, R0 to R5, corresponding to progressively increasing radial extents and which allows them to fit within the petal geometry and the 6-inch wafer maximally. The strips are in fan-out geometry with an in-built rotation angle, with a mean pitch of approximately 75 μm and 4 or 2 rows of strip segments. The eight sensor types are labeled as ATLAS18xx where xx stands for SS, LS, and R0 to R5. According to the mechanical and electrical specifications, CAD files for wafer processing were laid out, following the successful designs of prototype barrel and endcap sensors, together with a number of optimizations. A pre-production was carried out prior to the full production of the wafers. The quality of the sensors is reviewed and judged excellent through the test results carried out by vendor. These sensors are used for establishing acceptance procedures and to evaluate their performance in the ATLAS collaboration, and subsequently for pre-production of strip modules and stave and petal structures.

Instruments & Instrumentation↗