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At least 613 records · Page 34

Phase Change-Driven Negative Activation Energies in Pd/Carbon-Based/Organic Getter Hydrogenation Reactions

In this study, the hydrogenation of 1,4-diphenylbutadiyne (DPB) blended with carbon-supported Pd (DPB–Pd/C) in the form of pellets was investigated by isothermal–isobaric experiments at 1333 Pa of H 2 and in the temperature range of 291–315 K. The extracted kinetics were then used in conjunction with a complementary constant rate of H 2 input experimentation to model the performance of a DPB-catalysis/support system as a function of temperature and H 2 partial pressure. First-principles density functional theory (DFT) calculations were also performed to shed light on the molecular level energetics of DPB and its intermediate states. A seemingly puzzling formation of alternate positive activation energy barrier (higher reaction rate with higher temperature) and negative activation energy barrier (higher reaction rate with lower temperature) zones during the hydrogenation process was discovered. However, this observed phenomenon can be logically explained in terms of the associated phase changes and H 2 transport in the material. This work provides a good illustration of a rarely encountered chemical process with a negative activation energy barrier.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Co-expression networks in Chlamydomonas reveal significant rhythmicity in batch cultures and empower gene function discovery

The unicellular green alga Chlamydomonas reinhardtii is a choice reference system for the study of photosynthesis and chloroplast metabolism, cilium assembly and function, lipid and starch metabolism, and metal homeostasis. Despite decades of research, the functions of thousands of genes remain largely unknown, and new approaches are needed to categorically assign genes to cellular pathways. Growing collections of transcriptome and proteome data now allow a systematic approach based on integrative co-expression analysis. We used a dataset comprising 518 deep transcriptome samples derived from 58 independent experiments to identify potential co-expression relationships between genes. We visualized co-expression potential with the R package corrplot, to easily assess co-expression and anti-correlation between genes. We extracted several hundred high-confidence genes at the intersection of multiple curated lists involved in cilia, cell division, and photosynthesis, illustrating the power of our method. Surprisingly, Chlamydomonas experiments retained a significant rhythmic component across the transcriptome, suggesting an underappreciated variable during sample collection, even in samples collected in constant light. Our results therefore document substantial residual synchronization in batch cultures, contrary to assumptions of asynchrony. We provide step-by-step protocols for the analysis of co-expression across transcriptome data sets from Chlamydomonas and other species to help foster gene function discovery.

59 BASIC BIOLOGICAL SCIENCES↗

Beyond leading twist: 𝜌 meson decay constants and distribution amplitudes in a self-consistent light-front quark model

In this study, we present a comprehensive analysis of decay constants and chiral-even and chiral-odd distribution amplitudes (DAs) up to twist 4 for the 𝜌 meson in the standard light-front quark model (LFQM) based on the Bakamjian-Thomas (BT) construction. For the 𝜌 meson, which possesses both longitudinal (ℎ=0) and transverse (ℎ =±1) polarizations, two types of decay constants, 𝑓$^{∥}_{𝜌}$ and 𝑓$^{⊥}_{𝜌}$, arises accordingly. We demonstrate that these decay constants can be self-consistently extracted from both local (𝑧𝜇 =0) and nonlocal (𝑧𝜇 ≠0) matrix elements ⟨0⁢|$\overline{𝑞}$(𝑧)⁢Γ⁢𝑞⁡(−𝑧)|⁢𝜌⁡(𝑃,ℎ)⟩, with Γ=(𝛾 𝜇 ,𝜎 𝜇⁢𝜈 ,𝛾 𝜇 ⁢𝛾 5 ,𝟏), in a manner independent of current components, polarizations, and reference frames. In particular, we emphasize the role of nonlocal matrix elements involving axial-vector and scalar currents, where mixing between 𝑓$^{∥}_{𝜌}$ and 𝑓$^{⊥}_{𝜌}$ occurs. We show that this mixing is consistently resolved through the BT construction, ensuring the proper extraction of these decay constants.

Electroweak interaction↗

Photoproduction of K 0 S Pairs at GlueX

We present an study of the ¿¿ ¿ ¿0 ¿¿0 ¿¿ channel measured by the GlueX experiment. This channel selects for resonances with ¿¿¿ = even++ quantum numbers (the ¿0, ¿2, ¿0, and ¿2 light, flavorless mesons) and potentially contains contributions from the lightest scalar glueball (¿0). Data from the 2017, 2018, and 2020 run periods are used to perform a mass independent (binned) partial-wave analysis to distinguish spin states. Due to the polarized photon beam at GlueX, we are also able to extract reflectivity amplitudes for the first time in this channel. Additionally, we perform mass-dependent partial-wave analyses using a fixed ¿-matrixparameterization to attempt a determination of the relative contribution of each res onance, and we present a guided initialization method which facilitates navigation through a parameter space with many local minima. These mass-dependent fits are a proof-of-concept in using fixed ¿-matrix models constrained by other experiments to measure photoproduc tion amplitudes for overlapping states which may only differ by isospin, a property which cannot be distinguished in this channel.

Hoffman, Nathaniel [Carnegie Mellon University]↗

UNrealized Critical Lanthanide Extraction from Sea Algae Mining (UNCLE SAM)

The UNCLE-SAM project, under the Biotechnologies to Ensure a Robust Supply of Critical Materials for Clean Energy program, examined the biomining applications of seaweeds for sustainable, domestic production of critical mineral feedstocks. The ocean is a vast reserve of mineralogical wealth including rare earth elements (REEs) and platinum group metal (PGMs). These elements, categorized as “critical minerals”, are used in telecommunication devices, lasers, LED lighting, turbine generators, electric car motors, jet engine alloys, and many other applications. These critical elements are increasingly vital to a thriving, efficient and sustainable society. However, only a few countries in the global market currently produce and export REEs, leading to potential geopolitical supply disruptions. Marine macroalgae, often referred to as seaweeds, bioconcentrate critical minerals from seawater, including REEs and PGMs. Marine algae cultivation can generate a significant amount of biomass with minimal freshwater, fertilizer, and land requirements. In summary, the UNCLE-SAM project successfully evaluated the technological feasibility for marine macroalgal cultivation as a feedstock for critical minerals, explored the biological capacity of different seaweeds to provide economically relevant domestic mineral production, assessed processing techniques for thermal co-conversion of seaweeds into renewable fuel and mineral feedstocks, and executed techno-economic and lifecycle assessments for identifying the most critical gaps in our current understanding to move the technology into commercially relevant deployment. Further development of this technology could transform the bioproduct and REE mining industries and catalyze the development of a more sustainable future.

09 BIOMASS FUELS↗

Near-field terahertz nonlinear optics with blue light

Abstract The coupling of terahertz optical techniques to scattering-type scanning near-field microscopy (s-SNOM) has recently emerged as a valuable new paradigm for probing the properties of semiconductors and other materials on the nanoscale. Researchers have demonstrated a family of related techniques, including terahertz nanoscopy (elastic scattering, based on linear optics), time-resolved methods, and nanoscale terahertz emission spectroscopy. However, as with nearly all examples of s-SNOM since the technique’s inception in the mid-1990s, the wavelength of the optical source coupled to the near-field tip is long, usually at energies of 2.5 eV or less. Challenges in coupling of shorter wavelengths (i.e., blue light) to the nanotip has greatly inhibited the study of nanoscale phenomena in wide bandgap materials such as Si and GaN. Here, we describe the first experimental demonstration of s-SNOM using blue light. With femtosecond pulses at 410 nm, we generate terahertz pulses directly from bulk silicon, spatially resolved with nanoscale resolution, and show that these signals provide spectroscopic information that cannot be obtained using near-infrared excitation. We develop a new theoretical framework to account for this nonlinear interaction, which enables accurate extraction of material parameters. This work establishes a new realm of possibilities for the study of technologically relevant wide-bandgap materials using s-SNOM methods.

47 OTHER INSTRUMENTATION↗

Picolinate-based acyclic ligand for rare earth element extraction and separation

The rare earth elements (REEs) play an important role in many modern technologies, particularly those relevant to clean energy. Despite their increasing importance, obtaining them in elementally pure forms suitable for downstream applications is challenging due to their similar chemical properties. This problem has impeded efforts to efficiently and selectively extract them from end-of-life materials and electronic waste. Here, we report a cost-efficient acyclic picolinate-based chelator H 4 aapa. The REE stability constants (log K ML ) of this chelator were measured via pH potentiometric and UV-Visible spectrophotometric titrations, revealing it to preferably bind light over heavy REEs like many recently reported 18-membered macrocycles. Its REE complexes were characterized by X-ray crystallography and NMR spectroscopy, demonstrating that this chelator can attain different conformations. The unique properties of aapa were subsequently used to separate REEs via the dissolution of insoluble REE oxalate mixtures. This dissolution-based separation led to large separation factors, the most significant being that for the Ce 3+ /Lu 3+ pair (38.6) at pH 4. Leveraging the strong REE binding affinity of aapa, we further demonstrated this chelator can leach REEs from authentic end-of-life materials in the form of magnet waste and autocatalyst smelting (autocat) slag. With this approach, exposure of these materials to a 20 mM solution of aapa at neutral pH generates a metal-containing solution enriched in Nd 3+ and Dy 3+ by 56.9 wt% and 3.0 wt%, marking a 4-fold improvement over the use of 4 M HNO 3 .

Gao, Yangyang [University of California, Santa Bar↗

Defect-mediated metastability and carrier lifetimes in polycrystalline (Ag,Cu)(In,Ga)Se 2 absorber materials

Using a combination of optical and electrical measurements, we develop a model for metastable defects in Ag-alloyed Cu(In,Ga)Se 2 , one of the leading thin film photovoltaic materials. By controlling the pre-selenization conditions of the back contact prior to the growth of polycrystalline (Ag,Cu)(In,Ga)Se 2 absorbers and subsequently exposing them to various stresses (light soaking and dark-heat), we explore in this paper the nature and role of metastable defects on the electro-optical and photovoltaic performance of high-efficiency solar cell materials and devices. Positron annihilation spectroscopy indicates that dark-heat exposure results in an increase in the concentration of the selenium–copper divacancy complex (V Se –V Cu ), attributed to depassivation of donor defects. Deep-level optical spectroscopy finds a corresponding increase of a defect at Ev+0.98 eV, and deep-level transient spectroscopy suggests that this increase is accompanied by a decrease in the concentration of mid-bandgap recombination centers. Time-resolved photoluminescence excitation spectroscopy data are consistent with the presence of the V Se –V Cu divacancy complex, which may act as a shallow trap for the minority carriers. Light-soaking experiments are consistent with the V Se –V Cu optical cycle proposed by Lany and Zunger, resulting in the conversion of shallow traps into recombination states that limit the effective minority carrier recombination time (and the associated carrier diffusion length) and an increase in the doping density that limits carrier extraction in photovoltaic devices.

14 SOLAR ENERGY↗

Probing the neutron-proton asymmetry dependence of the nuclear source temperature with light charged particles

The dependence of the nuclear temperature on the source neutron-proton (N/Z) asymmetry was experimentally investigated with the light charged particles (LCPs) generated from thirteen reaction systems with different N/Z asymmetries, 64 Zn on 112 Sn and 70 Zn, 64 Ni on 112,124 Sn, 58,64 Ni, 197 Au, 232 Th at 40 MeV/u. A rather weak N/Z asymmetry dependence of the source temperature was qualitatively inferred from the extracted N/Z asymmetry dependence of the apparent temperature and that of the relative temperature change by the sequential decay effects with the help of the theoretical simulations. Comparing the present result with those from our previous work and other available experimental results, a weak N/Z asymmetry dependence of nuclear temperature is commonly observed in different independent experiments and with different thermometers, except for the result reported by McIntosh et al. [Phys. Lett. B 719, 337 (2013)]. Here, the origin of the difference between the conclusion of the former group and that of McIntosh et al. was addressed, using statistical multifragmentation model (SMM) simulations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Early development of fern gametophytes in microgravity

Dormant spores of the fern Ceratopteris richardii were flown on Shuttle mission STS-93 to evaluate the effects of micro-g on their development and on their pattern of gene expression. Prior to flight the spores were sterilized and sown into one of two environments: (1) Microscope slides in a video-microscopy module; and (2) Petri dishes. All spores were then stored in darkness until use. Spore germination was initiated on orbit after exposure to light. For the spores on microscope slides, cell level changes were recorded through the clear spore coat of the spores by video microscopy. After their exposure to light, spores in petri dishes were frozen in orbit at four different time points during which on earth gravity fixes the polarity of their development. Spores were then stored frozen in Biological Research in Canister units until recovery on earth. The RNAs from these cells and from 1-g control cells were extracted and analyzed on earth after flight to assay changes in gene expression. Video microscopy results revealed that the germinated spores developed normally in microgravity, although the polarity of their development, which is guided by gravity on earth, was random in space. Differential Display-PCR analyses of RNA extracted from space-flown cells showed that there was about a 5% change in the pattern of gene expression between cells developing in micro-g compared to those developing on earth. c2002 Published by Elsevier Science Ltd on behalf of COSPAR.

manned↗

High-Mileage Courier Fleet Vehicle On-Road Logger Data

This dataset describes the performance and fuel efficiency of AVTA test vehicles operating in commercial courier fleets the Phoenix, AZ metro area between 2010 and 2016. Aftermarket data loggers were installed in two to four vehicles of each of 30+ distinct year/make/models (see reference ["INL Advanced Vehicle Testing Activity: On-road Logger and Laboratory Battery Pack Testing Vehicle List"](https://avt.inl.gov/sites/default/files/pdf/reports/DatasetVehicleList.pdf) for full list of vehicles). Loggers recorded vehicle operation as they were driven up to 160,000 miles in up to three years of fleet testing. Parameters were logged at 1-second intervals, including - vehicle speed, - engine and/or electric motor speed, - fuel and/or electricity consumption, and - ambient temperature. This dataset includes both raw second-by-second data and trip-level metrics. This dataset is shared by API; a small sample of the vehicle and logger data has been extracted and is also available for download.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

High-Mileage Courier Fleet Vehicle Laboratory Battery Pack Testing

For one of each of the AVTA's plug-in hybrid electric vehicles, battery electric vehicles, and some hybrid electric vehicles tested in high-mileage courier fleets, the high-voltage traction battery packs were removed from the vehicle and tested at the beginning and end of fleet testing. For some vehicles, batteries also were tested at periodic intervals during fleet testing. Standard reference performance tests were conducted to characterize battery degradation over time. This dataset contains results from two or more rounds of battery tests for 21 distinct year/make/model vehicles (see reference ["INL Advanced Vehicle Testing Activity: On-road Logger and Laboratory Battery Pack Testing Vehicle List"](https://avt.inl.gov/sites/default/files/pdf/reports/DatasetVehicleList.pdf) for full list of vehicles). Each round of battery testing included the "Static Capacity Test" and the "Hybrid Pulse Power Characterization (HPPC) Test", conducted according to test procedures published in the United States Advanced Battery Consortium ["Battery Test Manual For Power-Assist Hybrid Electric Vehicles"](https://www.uscar.org/commands/files_download.php?files_id=57), ["Battery Test Manual For Plug-In Hybrid Electric Vehicles"](https://www.uscar.org/commands/files_download.php?files_id=168), and ["Electric Vehicle Battery Test Procedures Manual"](https://www.uscar.org/commands/files_download.php?files_id=5) prior to the time of testing. These tests were performed by Intertek Testing Services, North America. This dataset is shared by API; a small sample of the vehicle battery and test data has been extracted and is also available for download.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Vibronic coupling in light-harvesting complex II revisited

A growing body of work has pointed to vibronic mixing as a crucial design principle for efficient energy and charge transfer in natural and artificial systems.= Notable among these studies was the recent observation of vibronically promoted ultrafast energy flow in the major antenna complex of green plants and algae light-harvesting complex II (LHCII)—the most abundant membrane protein on the Earth—via the emerging experimental technique two-dimensional electronic-vibrational (2DEV) spectroscopy. This spectroscopy, which correlates electronic and nuclear degrees-of-freedom, shows promise for providing mechanistic insight into vibronic coupling; however, explicit theoretical input is necessary to extract such a detail. In a separate paper, we have developed a heterodimer model that describes various forms of vibronic coupling—which were speculated to be present in LHCII—resulting from diagonal electron–phonon coupling giving Franck–Condon (FC) activity and the nuclear dependence of the electronic transition dipole moment giving Herzberg–Teller (HT) activity. Here, we draw connections between this theoretical work and recent experimental studies in order to demonstrate how HT activity is leveraged in the function of LHCII.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Universal rapidity scaling of entanglement entropy inside hadrons from conformal invariance

When a hadron is probed at high energy, a nontrivial quantum entanglement entropy inside the hadron emerges due to the lack of complete information about the hadron wave function extracted from this measurement. In the high-energy limit, the hadron becomes a maximally entangled state, with a linear dependence of entanglement entropy on rapidity, as has been found in a recent analysis based on parton description. In this paper, we use an effective conformal field theoretic description of hadrons on the light cone to show that the linear dependence of the entanglement entropy on rapidity found in parton description is a general consequence of approximate conformal invariance and does not depend on the assumption of weak coupling. Our result also provides further evidence for a duality between the parton and string descriptions of hadrons. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Application of Statistical Methods of Rain Rate Estimation to Data From The TRMM Precipitation Radar

The TRMM Precipitation Radar is well suited to statistical methods in that the measurements over any given region are sparsely sampled in time. Moreover, the instantaneous rain rate estimates are often of limited accuracy at high rain rates because of attenuation effects and at light rain rates because of receiver sensitivity. For the estimation of the time-averaged rain characteristics over an area both errors are relevant. By enlarging the space-time region over which the data are collected, the sampling error can be reduced. However. the bias and distortion of the estimated rain distribution generally will remain if estimates at the high and low rain rates are not corrected. In this paper we use the TRMM PR data to investigate the behavior of 2 statistical methods the purpose of which is to estimate the rain rate over large space-time domains. Examination of large-scale rain characteristics provides a useful starting point. The high correlation between the mean and standard deviation of rain rate implies that the conditional distribution of this quantity can be approximated by a one-parameter distribution. This property is used to explore the behavior of the area-time-integral (ATI) methods where fractional area above a threshold is related to the mean rain rate. In the usual application of the ATI method a correlation is established between these quantities. However, if a particular form of the rain rate distribution is assumed and if the ratio of the mean to standard deviation is known, then not only the mean but the full distribution can be extracted from a measurement of fractional area above a threshold. The second method is an extension of this idea where the distribution is estimated from data over a range of rain rates chosen in an intermediate range where the effects of attenuation and poor sensitivity can be neglected. The advantage of estimating the distribution itself rather than the mean value is that it yields the fraction of rain contributed by the light and heavy rain rates. This is useful in estimating the fraction of rainfall contributed by the rain rates that go undetected by the radar. The results at high rain rates provide a cross-check on the usual attenuation correction methods that are applied at the highest resolution of the instrument.

Meneghini, R.↗

Correlation approach for quality assurance of additive manufactured parts based on optical metrology

Surface topography and surface finish are two significant factors for evaluating the quality of products in additive manufacturing (AM). AM parts are fabricated layer by layer, which is quite different from traditional formative or subtractive methods. Despite rapid progress in additive manufacturing and associated optical metrology for quality control and in-situ monitoring, limited research has been conducted to investigate the reliability of 3D surface measurement data. The surface topologies scanned by multiple optical systems demonstrated significant differences due to varying sampling mechanisms, resolutions, system noises, etc. The 3D datasets should be trustworthy in order to extract parameters for quality assurance or feedback control from 3D surface measurements. In this paper, we set up new standards to evaluate the reliability of 3D surface measurement data and analyze the variation in the topographical profile. In this study, two non-contact optical methods based on Focus Variation Microscopy (FVM) and Structured Light System (SLS) were adopted to measure the surface topography of the target components. The two optical metrology systems generated two entirely different point cloud datasets. Statistical methods were applied to test the difference between the data obtained from the two systems. By using a data analytics approach for comparison, it was found that the surface roughness estimated from the point cloud data sets of FVM and SLS has no significant difference, though the point cloud data sets were completely different. This paper provides standard validation approach to evaluate the plausibility of metrology data from in-situ real-time surface analysis for process planning of AM.

36 MATERIALS SCIENCE↗

An evaluation of the suitability of ERTS data for the purposes of petroleum exploration

This investigation was undertaken to determine the types and amounts of information valuable to petroleum exploration that are extractable from ERTS data and to determine the cost of obtaining the information from ERTS relative to costs using traditional or conventional means. In particular, it was desirable to evaluate this new petroleum exploration tool in a geologically well-known area in order to assess its potential usefulness in an unknown area. In light of the current energy situation, it is felt that such an evaluation is important in order to best utilize technical efforts with customary exploration tools, by rapidly focusing attention on the most promising areas in order to reduce the time required to go through the exploration cycle and to maximize cost savings. The Anadarko Basin lies in western Oklahoma and the panhandle of Texas (Figure 1). It was chosen as a test site because there is a great deal of published information available on the surface and subsurface geology of the area, there are many known structures that act as traps for hydrocarbons, and it is similar to several other large epicontinental sedimentary basins.

Everett, J. R.↗

An inverter/controller subsystem optimized for photovoltaic applications

Conversion of solar array dc power to ac power stimulated the specification, design, and simulation testing of an inverter/controller subsystem tailored to the photovoltaic power source characteristics. Optimization of the inverter/controller design is discussed as part of an overall photovoltaic power system designed for maximum energy extraction from the solar array. The special design requirements for the inverter/ controller include: a power system controller (PSC) to control continuously the solar array operating point at the maximum power level based on variable solar insolation and cell temperatures; and an inverter designed for high efficiency at rated load and low losses at light loadings to conserve energy.

Pickrell, R. L.↗