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At least 415 records · Page 23

A low-mass hub–filament with double centre revealed in NGC 2071-North

We present the first analysis in NGC 2071-North as a resolved hub–filament featuring a double centre. This ∼1.5 × 1.5 pc 2 scale filament hub contains ∼500 M ⊙ . Seen from Planck, magnetic field lines may have facilitated the gathering of material at this isolated location. The energy balance analysis, supported by infalling gas signatures, reveals that these filaments are currently forming stars. Herschel 100 $\mu$m emission concentrates in the hub, at IRAS 05451+0037 and LkHα 316, and presents diffuse lobes and loops around them. We suggest that such a double centre could be formed, because the converging locations of filament pairs are offset, by 2.3 arcmin (0.27 pc). This distance also matches the diameter of a hub ring, seen in column density and molecular tracers, such as HCO + (1–0) and HCN (1–0), that may indicate a transition and the connection between the hub and the radiating filaments. We argue that all of the three components of the emission star LkHα 316 are in physical association. We find that a ∼0.06-pc-sized gas loop, attached to IRAS 05451+0037, can be seen at wavelengths all the way from the Panoramic Survey Telescope and Rapid Response System (Pan-STARRS)-i to Herschel 100 $\mu$m. These observations suggest that both protostars at the double hub centre are interacting with the cloud material. In our 13 CO data, we do not seem to find the outflow of this region that was identified in the 1980s with much lower resolution.

79 ASTRONOMY AND ASTROPHYSICS↗

Elucidating Hydrogen Reaction-Induced Water Desorption from Oxide-Passivated Metal Surfaces for Plasma Applications

Elucidating the mechanisms responsible for sub-microsecond desorption of water and other impurities from electrode surfaces at high heating rates is crucial for understanding pulsed power behavior. Ionization of desorbed impurities in the vacuum regions causes power or current loss; devising methods to limit such desorption during the short time scale of pulsed power is needed to improve corresponding applications. Previous molecular modeling studies have strongly suggested that, under high vacuum conditions, the amount of water impurity desorbing from oxide surfaces on metal electrodes is at a sub-monolayer level at room temperature, which appears insufficient to explain observed pulsed power energy losses at high current densities. In this work, we apply Density Functional Theory (DFT) techniques to show that hydrogen trapped inside iron metal can diffuse into hematite (α-Fe 2 O 3 ) on the metal surface, ultimately reacting with the oxide to form Fe(II) and H 2 O. The latter desorbs at elevated temperature and may explain the anomalous amount of desorbed impurity inferred from pulsed-power experiments. We also apply a suite of characterization techniques to demonstrate that when iron metal is heated to 650 °C, the dominant surface oxide component becomes α-Fe 2 O 3 . The oxide facets exposed are found to be a mixture of (0001), (10-10), and others, in agreement with the DFT models used.

74 ATOMIC AND MOLECULAR PHYSICS↗

Kinetic Parameters and Diffusivity of Uranium in FLiNaK and ClLiK

Anodic stripping voltammetry (ASV) and cyclic voltammetry (CV) measurements at 773, 823, and 873 K were made of uranium trifluoride (UF 3 ) in lithium fluoride-sodium fluoride-potassium fluoride eutectic (FLiNaK) and uranium trichloride (UCl 3 ) in lithium chloride-potassium chloride eutectic (ClLiK). ASV data were used to estimate the charge transfer coefficients, exchange current densities, and activation energies of the uranium reactions. Charge transfer coefficients of both salt systems were within the range of 0.17 to 0.38. Exchange current densities in the fluoride and chloride salts were estimated within the range of 0.060 to 0.12 A cm -2 . Activation energy of uranium exchange current was 16.0 kJ mol -1 in the fluoride salt and 28.9 kJ mol -1 in the chloride salt. Kinetics of charge transfer were found to be faster in FLiNaK. Analyses of the CV data suggest the electrochemical system was diffusion controlled and irreversible in the chloride and fluoride salt mixtures. Diffusion coefficients of uranium in the range of temperatures were on the order of 10-5 cm 2 s -1 in both systems. Greater values of diffusivity in ClLiK are attributed to its lower density compared with FLiNaK. Activation energy of uranium diffusion in the fluoride and chloride salt mixtures were 53.4 and 89.4 kJ mol -1 , respectively.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

An Improved Beam Position Monitor for Scorpius and the DARHT Multi-Pulse Test Line

Beam position monitors (BPMs) provide time-resolved measurements of the current and centroid position of high-current electron beams in linear induction accelerators (LIAs). A frequently used BPM detector is the B-dot loop, which generates a signal from the EMF generated by the time varying magnetic flux through the loop. We have developed a second generation BPM that avoids previously observed diffusion effects in earlier stainless steel through the use of exceptionally high conductivity copper alloy for its construction.

43 PARTICLE ACCELERATORS↗

Ultrasonic nondestructive evaluation of additively manufactured wear coatings

Here, this work pertains to the nondestructive evaluation of additively deposited coatings using ultrasound measurements. The specific objective was to evaluate using ultrasound surface wave measurements the quality of Stellite 21 coatings deposited on Inconel 718 substrates by the directed energy deposition (DED) additive manufacturing (AM) process. The surface wave speed and diffuse backscatter amplitude of the ultrasound waves were correlated with both cracking and warpage of the coating. This research is important, because, the integrity of DED-processed coatings currently requires a combination of destructive metallographic studies and X-ray computed tomography analysis, which are both expensive and time consuming. Instead of using a normal incidence configuration for the ultrasound measurements, the surface-wave approach allows the inspection of the near surface coating integrity. Three different frequencies were used to excite surface waves because each frequency has a different penetration depth. The signals obtained were used to quantify and compare the surface wave speed and surface wave-diffuse ultrasonic backscatter amplitude from five different DED-processed Stellite coated samples. Considering destructive metallurgical characterization as a reference, surface wave measurements were found to be effective for examining coating integrity. Further, the backscatter amplitude of the surface waves was correlated with the crack density and warpage. These flaws also change the stress state of the Stellite coating and consequently the surface wave propagation speed and its scattering behavior.

36 MATERIALS SCIENCE↗

The role of native defects and their diffusivity in CdTe

CdTe is a leading thin-film technology for solar-cell applications. Basic features such as the optimum band gap of 1.5 eV and simple manufacturing process have been driving the research on improving the current record efficiency of 22% for CdTe solar cells toward the theoretical limit of 32%. Low p-type doping and short carrier lifetimes in the CdTe absorber have been suggested as the main limiting factors and attributed to defect compensation and carrier recombination. Understanding the role of point defects and impurities in CdTe is crucial to solving these problems. Despite many years of research, the sources of compensation and the microscopic recombination mechanisms are still unclear. By using hybrid density functional calculations with spin-orbit coupling and large supercells, we investigate the electronic properties, the formation energies, and the diffusivities of the native defects in CdTe. As possible sources of compensation for p-type conductivity, we discuss the structural and electronic properties of Cd interstitial, Te vacancies, and TeCd antisites. The stability of each defect is discussed in terms of both the defect formation energy and the migration barrier. We also address possible mechanisms that lead to non-radiative recombination.

14 SOLAR ENERGY↗

Demonstration of Electrochemically-Driven CO 2 Separation Using Hydroxide Exchange Membranes

Hydroxide exchange membrane fuel cells (HEMFCs) are a potentially lower-cost hydrogen fuel cell technology; however, ambient levels of CO 2 in air significantly reduce HEMFCs’ performance. In this work, we demonstrate an electrochemically-driven CO 2 separator (EDCS) which can be used to remove ambient levels of CO 2 from air upstream of the HEMFC stack in fuel cell vehicles, protecting it from CO 2 -related performance losses. The EDCS operating window was explored for current density, anode flow, and cathode flow with respect to its impact on CO 2 separation performance. Additionally, gas-phase mass transport was improved by selecting flow fields and gas diffusion layers conducive to the EDCS operating regime. The use of a carbon-ionomer interlayer at the cathode was explored and improved CO 2 removal performance from 77.7% to 98.2% at 20 mA cm −2 . An analytical, 1-D model is used to explain the experimental observations and design improvements. A single-cell, 25 cm 2 EDCS using the aforementioned improved design demonstrated greater than 98% CO 2 removal at a cathode flow rate of 1300 sccm for 100 h with 2.7% hydrogen stack consumption.

Matz, Stephanie↗

Advancing Enhanced Raman Spectroscopy to Detect and Measure NOW Pheromones (CPRB 2022 proposal)

Insect sex pheromones are chemical compounds that insects release to attract their partners over distances of hundreds of meters or even kilometers, in complete darkness and without any audible signals. Use of synthetic forms of key compounds have in some cases become an essential component of monitoring and/or managing key pests of agricultural crops, including navel orangeworm (Amyelois transitella) (NOW) in California tree nuts. These pheromone-based strategies can include monitoring, mating disruption, mass trapping, attract-and-kill and push-pull. There are currently multiple commercially available mating disruption products available for NOW and recent studies have demonstrated that they can be effectively used to reduce crop damage by this pest. Just how mating disruption works is not fully established and likely varies across products and target species. For instance, the extent to which synthetic pheromones compete with natural pheromone is not well understood, or in the case of monitoring, how efficaciously the insect follows the diffusing plumes, especially across large blocks and at plot borders. Furthermore, there may be specific conditions under which poor or impeded diffusion of synthetic pheromone diminishes the disruption effect, which could result in some males effectively locating females for reproduction. At the same time, many commercially available synthetic lures are also available, and growers have been effectively using them to track population development – although the attractive range of these lures remains unclear. That is, while pheromone lures can attract many moths, the relationship between trap capture and local populations, much less crop damage, remains unclear. Regardless of the emission source (aerosol puffers, meso emitters, lures etc.), we currently lack the ability to fully understand how these synthetic pheromone compounds diffuse away from their point-source of emission – and subsequently how this might affect the efficacy of mating disruption and/or the accuracy of monitoring efforts. Raman spectroscopy (RS) may offer a means to detect synthetic pheromone because of its analytical properties and recent technological advancements. In combination with nanostructured probes, RS has a demonstrated capability to detect volatiles at extremely low concentrations. While other methods for detecting pheromones have proven to be successful, such analytical methods like mass spectrometry (MS) gas chromatography (GC) require sampling in the fields and are not real-time. Other methods such as EAG/ EAD are also invasive (use antennas) but are of course valuable. Opto-electronic, micro and nano sensors just recently enticed interest. We fall in this latter category, proposing the use of optical spectroscopy (Raman) in a fiber aided by nanostructures to provide a chemical fingerprint without transductions and in real-time (i.e. no sampling). To date, we have been able to generate Raman signatures for the main chemicals in synthetic pheromones (a first for science, to the best of our knowledge), observe their trends at different concentrations, and also provide a clear distinction of such signatures in mixed samples via Principal Component Analysis (PCA) – all of which strengthens our conclusions on the ability of RS to detect emissions in more realistic conditions. We also established processes to enhance the detection sensitivity via preconcentration with Solid Phase Micro Extraction (SPME) fibers and Surface Enhanced Raman Spectroscopy (SERS) to increase the overall optical signals. Furthermore, we explored limitations and requirements for detecting from dispensers, lures, or live moths, including Dept. of Energy and CA State regulatory approvals. Finally, we setup some of our first “orchard in a box” experiments to measure pheromone diffusion along with developing appropriate models.

42 ENGINEERING↗

Ionic Diffusion in Slurry Electrolytes for Redox Flow Batteries

Slurry electrodes have been proposed as a method to decouple the storage and power capacities of hybrid redox flow batteries by allowing the reduced metal to adhere to a flowing dispersion of electrically conductive particles rather than accumulate in the flow cell. In this work, the ionic mass transport through these slurry electrolytes is investigated via voltammetry at a rotating disc electrode and in a parallel channel flow cell. A modified Levich equation, i l = 0.6 2 nFC ω 1 / 2 ν − 1 / 6 ( D + r 2 Φ ω m ) 2 / 3 , is developed to describe limiting currents to a rotating disc electrode when using a particle filled electrolyte. Mass transfer is demonstrated to be enhanced by greater particle loading so long as there are sufficient particles such that their respective flow velocity boundary layers interact. In the flow cell, faradaic current in a carbon black slurry electrolyte was observed to decrease over time. This suggests that the carbon particles adhere and accumulate on the stationary electrode, impeding mass transport by imposing diffusion path tortuosity. This accumulation is undesirable in hybrid redox flow batteries as it encourages metal deposition in the cell, limiting the scalability of the technology.

Electrochemistry↗

Theoretical Analysis of Experimental Data of Sodium Diffusion in Oxidized Molybdenum Thin Films

In this work, the diffusion process of sodium (Na) in molybdenum (Mo) thin films while it was deposited on soda lime glass (SLG) was studied. A small amount of oxygen was present in the chamber while the direct-current (DC) magnetron sputtering was used for the deposition. The substrate temperatures were varied to observe its effect. Such molybdenum films, with or without oxidations, are often used in thin film solar cells, either as back contact or as hole transport layers. Secondary ion mass spectrometry (SIMS) was used to quantify the concentration of the species. A grain diffusion mechanistic model incorporating the effect of grain and grain boundary geometrical shape and size was developed. The model was used to provide an in-depth theoretical analysis of the sodium diffusion in molybdenum thin films that lead to the measured SIMS data. It was observed that not only diffusion coefficients should be considered when analyzing diffusion processes in thin films but also the ratio of grain boundary size to grain size. Both depend on substrate temperature and directly affect the amount of diffused species in the film. The data were analyzed under the light of the film growth speed versus diffusion front speed, the effect of oxygen content, and the effect of substrate temperature on the overall diffusion process. The temperature inversely affects the ratio of grain boundary size and grain size and directly affects the diffusion coefficient, which leads to a preferable temperature at which the highest amount of alkali can be found in the film.

36 MATERIALS SCIENCE↗

Toward Establishing Uniqueness of Experimentally Determined Transference Numbers

The passage of current through a battery results in the development of concentration gradients in the electrolytic phase. For a fully characterized binary electrolyte, where the conductivity, salt diffusion coefficient, cation transference number, and the thermodynamic factor are known, concentration and potential gradients in the electrolytic phase can be modeled using Newman’s concentrated solution theory. We report two methods for measuring the transference number: the standard method based on electrochemical measurements ( t + , echem 0 ) and electrophoretic NMR ( t + , eNMR 0 ). The electrochemical approach requires combining measurements from multiple experiments; the equations used to determine the cation transference number and the thermodynamic factor are coupled, nonlinear algebraic equations. In the electrophoretic-NMR-based approach, however, the equations used to determine the cation transference number and the thermodynamic factor are decoupled. We find for a liquid electrolyte comprised of a lithium salt dissolved in tetraglyme, the values of the transference numbers obtained by these two methods are distinct. For example, at 30 °C, t + , echem 0 = −1.02 ± 1.11 and t + , eNMR 0 = 0.25 ± 0.04. The corresponding thermodynamic factors are also different. While the magnitude of the predicted concentration gradients based on the two sets of parameters are different, the predicted current-voltage relationships are similar.

Hickson, Darby T. (ORCID:0000000251339755)↗

Lithium Manganese Spinel Cathodes for Lithium-Ion Batteries

Spinel LiMn 2 O 4 , whose electrochemical activity was first reported by Professor John B. Goodenough’s group at Oxford in 1983, is an important cathode material for lithium-ion batteries, which attracts continuous academic and industrial interests. It is cheap and environmentally friendly, and has excellent rate performance with 3-dimensional (3D) Li + diffusion channels. However, it suffers from severe degradations, especially under extreme voltages and during high-temperature operations. In this review, the current understanding and future trends of the spinel cathode and its derivatives with cubic lattice symmetry (LiNi 0.5 Mn 1.5 O 4 that shows high-voltage stability, and Li-rich spinels that show reversible hybrid anion- and cation-redox activities) shall be discussed. Special attention is given to the degradation mechanisms, further development of spinel cathodes, and concepts of utilizing the cubic spinel structure to stabilize high-capacity layered cathodes and as robust framework for high-rate electrodes. Lastly, “Good spinel” surface phases like LiNi 0.5 Mn 1.5 O 4 are distinguished from “bad spinel” surface phases like Mn 3 O 4 .

25 ENERGY STORAGE↗

Electrochemical properties of poly(ethylene oxide) electrolytes above the entanglement threshold

The ion transport in electrolytes depends on three transport coefficients, conductivity (κ), salt diffusion coefficient (D), and the cation transference number with respect to the solvent velocity ($t_+^0$), and the thermodynamic factor ($T_f$). Current methods for determining these parameters involve four separate experiments, and the coupled nature of the equations used to determine them generally results in large experimental uncertainty. We present data obtained from 64 independent polymer electrolytes comprising poly(ethylene oxide) (PEO) and lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) salt. The molecular weights of PEO ranged from 5 to 275 kg mol -1 ; these samples are all above the entanglement threshold. We minimize the experimental uncertainty in transport and thermodynamic measurements by exploiting the fact that ion transport in entangled polymer electrolytes should be independent of molecular weight. The dependence of $κ, D, t_+^0$, and $T_f$ as a function of salt concentration in the range 0.035 ≤ r ≤ 0.30 are presented with a 95% confidence interval, where r is the molar ratio of lithium ions to ethylene oxide monomer units. While κ, D, and $T_f$ are all positive as required by thermodynamic constraints, there is no constraint on the sign of $t_+^0$. We find that $t_+^0$ is negative in the salt concentration range of 0.093 ≤ r ≤ 0.189.

25 ENERGY STORAGE↗

Rapid Atomic Ordering Transformation toward Intermetallic Nanoparticles

Chemically ordered intermetallic nanoparticles are promising candidates for energy-related applications such as electrocatalysis. However, the synthesis of intermetallics generally requires long annealing (several hours) to achieve the ordered structure, which causes nanoparticles agglomeration and diminished performance, particularly for catalysis. Herein, we demonstrate a new rapid Joule heating approach that can synthesize highly ordered and well-dispersed intermetallic nanoparticles. As a proof-of-concept, we synthesized fully ordered Pd 3 Pb intermetallic nanoparticles that feature small size distribution (~6 nm). Computational analysis of the L1 2 Pd 3 Pb material suggests that this rapid atomic ordering transformation can be attributed to a vacancy-mediated diffusion mechanism. Moreover, the nanoparticles demonstrate excellent electrocatalytic activity and exceptional stability for the oxygen reduction reaction (ORR), retaining >95% of the current density over 10 h of chronoamperometry test with negligible structural and compositional changes. Furthermore, this study demonstrates a new strategy of providing a new direction for intermetallic synthesis and catalyst discovery.

25 ENERGY STORAGE↗

Understanding the Chemomechanical Function of the Silver–Carbon Interlayer in Sheet-type All-Solid-State Lithium–Metal Batteries

All-solid-state batteries with lithium metal anodes hold great potential for high-energy battery applications. However, forming and maintaining stable solid–solid contact between the lithium anode and solid electrolyte remains a major challenge. One promising solution is the use of a silver–carbon (Ag–C) interlayer, but its chemomechanical properties and impact on interface stabilities need to be comprehensively explored. Here, we examine the function of Ag–C interlayers in addressing interfacial challenges using various cell configurations. Experiments show that the interlayer improves interfacial mechanical contact, leading to a uniform current distribution and suppressing lithium dendrite growth. Furthermore, the interlayer regulates lithium deposition in the presence of Ag particles via improved Li diffusivity. The sheet-type cells with the interlayer achieve a high energy density of 514.3 Wh L –1 and an average Coulombic efficiency of 99.97% over 500 cycles. Furthermore, this work provides insights into the benefits of using Ag–C interlayers for enhancing the performance of all-solid-state batteries.

25 ENERGY STORAGE↗

Local microenvironment tuning induces switching between electrochemical CO 2 reduction pathways

Gas diffusion layers (GDL) have become a critical component in electrochemical CO 2 reduction (CO 2 R) systems because they can enable high current densities needed for industrially relevant productivity. Besides this function, it is often assumed that the choice of catalyst and electrolyte play much more important roles than the GDL in influencing the observed product selectivity. Here, we show that tuning of the GDL pore size can be used to control the local microenvironment of the catalyst and hence, effect significant changes in catalytic outcomes. This concept is demonstrated using sputtered Ag films on hydrophobic PTFE substrates with 6 different pore sizes. Although Ag is known to be a predominantly CO generating catalyst, we find that smaller pore sizes favor the generation of formate up to a faradaic efficiency of 43%. Combined experimental and simulation results show that this is due to the influence of the pore size on CO 2 mass transport, which alters the local pH at the electrode, resulting in reaction pathway switching between CO and formate. Importantly, our results highlight the importance of the local microenvironment as an experimental knob that can be rationally tuned for controlling product selectivity: a key consideration in the design of CO 2 R systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Gain Stability of Hamamatsu R5912-MOD Photo-Multipliers at Low Temperature

The Photon Detection System is a crucial component of the ICARUS detector in the Short Baseline Neutrino (SBN) Program at Fermi National Accelerator Laboratory (FNAL). It consists of 360 Photo Multiplier Tubes (PMTs) 8” Hamamatsu R5912-MOD and, since June 2020, it has been operated at the liquid Argon cryogenic temperature. During these years, the PMTs have shown gain losses as an aging effect. Using a climatic chamber at the INFN Sezione di Catania, we confirmed a stable gain for a single PMT 8” Hamamatsu 5912-MOD when operated at room temperature, and a persistent gain loss at temperatures around -70°C, although far from the liquid Argon one. No gain recovery was obtained bringing the PMT back to room temperature. We suspect that dynode deterioration due to temperature gradient plays a significant role in this phenomenon. During our test, the PMT was illuminated by a 520 nm laser source and operated in current mode. The laser beam was split into two optical fibers, the first one transmitting light through Neutral Density filters and then diffusing it over the surface of the PMT photocathode. The other optical fiber was used for an independent reference measurement of the injected light via a bolometric photodetector. In this presentation, the main technical characteristics of the measurement system are shown together with preliminary results which need further investigation to elucidate the underlying mechanisms driving the gain loss and to propose new mitigation strategies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Polymer-Stabilized Liquid Metal Nanoparticles as a Scalable Current Collector Engineering Approach Enabling Lithium Metal Anodes

Dendrites and dead lithium formation over prolonged cycling have long been challenges that hinder the safe implementation of metallic Li anodes. In this study, we employ polymer-stabilized liquid metal nanoparticles (LM-P NPs) of eutectic gallium indium (EGaIn) to create uniform Li nucleation sites enabling homogeneous lithium electrodeposition. Block copolymers of poly(ethylene oxide) and poly(acrylic acid) (PEO-b-PAA) were grafted onto the EGaIn surface, forming stabilized, well-dispersed NPs. Using a scalable spray coating approach, LM-P NPs were fabricated on copper current collectors, providing lithiophilic PEO sites and interactive carboxyl groups to guide Li deposition. The Li-EGaIn alloying process greatly reduced the Li + diffusion barrier, enabling fast Li transport through the coating layer, resulting in decreased nucleation overpotential. Therefore, about five times lower Li nucleation overpotential was obtained on the LM-P modified Cu with an optimal composition of the polymers than the bare Cu substrates. DFT computations was used to reveal the binding properties between the LM-P layer and Li. Due to the regulated Li plating/stripping process, as-obtained 30 μm Li anodes paired with LiNi 0.8 Co 0.1 Mn 0.1 O 2 (NCM8 11 ) with a negative/positive electrode capacity (N/P) ratio ~ 10 exhibited stable cycling performance at 0.5C for over 250 cycles, with an average Coulombic efficiency of 99.55%. Ultrathin Li (1 μm) anodes with an N/P ratio ~ 0.6 were also demonstrated in Li|LiFePO 4 cells, which examined the stabilization of Li by LM-P NPs and monitored practical loadings of Li anodes that are close to anode-free systems.

25 ENERGY STORAGE↗