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Anomalous composition and energy spectra of cosmic rays below 20 MeV/nucleon

The relative abundances and energy spectra of C, N, O, Ne, and Fe are investigated as a function of the interplanetary low energy proton intensity using observations obtained over a 17-month period by IMP-8. The oxygen intensity was enhanced when proton activity was at its lowest level, while all other heavy elements almost disappeared. Nuclei of less than 3 MeV/nucleon showed a strong intensity fluctuation strongly correlated with the interplanetary proton flux and displayed a velocity anisotropy along the garden-hose angle, indicating that they are of solar origin. The anomalous oxygen hump between 3 and 20 MeV is apparently not of solar origin. The observations are compatible with the model proposed by Fisk et al. (1974), in which these oxygen nuclei are considered to be interstellar neutral oxygen atoms which are ionized and accelerated to the observed energies by magnetic field irregularities in the outer solar system.

Klecker, B.↗

The nonlinear thermodynamics of meteors, noctilucent clouds, enhanced airglow and global atmospheric circulation

Two types of fundamental topological junctions of elements are deduced from a nonlinear thermodynamical model. Using this scheme, the possibility of a causal relation between fireballs and faint meteors as nonlinear sources on the one hand, and noctilucent clouds (NC) and Hoffmeister's enhanced airglow (EA) as complementary formative processes in the middle atmosphere and ionosphere, on the other hand, is examined. The principal role of the global atmospheric circulation in this relation is demonstrated. Such circulation in the mesosphere appears to prevent the neutral dust dissipated by fireballs from becoming an efficient agent in NLC generation. In this case, the behavior of ionized material deposited by both the bright and faint meteors is more probably controlled, as shown from the annual variation of the E sub s layer by the darkness of lunar eclipses and the global circulation of the lower thermosphere. The role of fireballs and neutral dust might be more significant as a source of EA phenomenon.

Rajchl, J.↗

A Comparison of Theory and Observation of the Echo I Satellite

Observations of the Echo I balloon satellite have been compared with a theory including the following perturbing effects: (1) solar radiation pressure; (2) lunar and solar gravitation; (3) second, third, and fourth harmonics of the earth's gravitational potential; and (4) atmospheric drag. With a set of orbital elements at the 26th day of the lifetime of the satellite, it was possible to match the observational data to 180 days with root mean square residuals as follows: Delta-a = 17.9 km, Delta-e = 0.0021, Delta-i = 0.0177 deg., Delta-omega = 1.1231 deg., Delta-Omega = 0.4821 deg., Delta-perigee height = 7.50 km. No differential correction has been applied as yet. Values of atmospheric density between 1500 and 930 km, assuming neutral drag effects only, have been inferred from the orbital data. The connection between solar activity and drag is also examined. As the Echo I perigee height continues to oscillate between 900 and 1500 km, more valuable orbital data will be obtained and atmospheric properties will be deduced. Further refinements in the mathematical model, especially in a time-dependent model atmosphere, should bring a substantial reduction in the residuals of the observations.

Bryant, R. W.↗

Diagnostics: Chapter 8 of the special issue: on the path to tokamak burning plasma operation

This chapter presents the activity conducted by the ITPA topical group (TG) on Diagnostics over about the last 15 years. Following a general introduction of the ITER Diagnostics led by their measurement roles, the document is organized in several subchapters detailing the design support, research and development activity conducted by each of the specialist working groups (WGs) of the TG. Please note that the magnetic diagnostics were supported at the TG without a specific WG. Their status is included in the general introduction. In the following some highlights of the subchapter’s contents are provided. Recent advances in ITER first wall (FW) diagnostics for the measurements of plasma-metallic wall interaction in support of the ITER research plan are reported. An InfraRed imaging Video Bolometer for ITER has been developed and tested on several tokamaks to measure the radiated power loss. A laser-induced breakdown spectroscopy (LIBS) technique which utilizes a pulsed laser beam to ablate locally by forming a crater, will measure local tritium inventory in the FW material. Real-time Residual Gas Analyzers will measure the neutral gas composition in a divertor port and an equatorial port during plasma operation. Due to the full metallic FW environment, the plasma-wall interaction in ITER will face several challenges such as the compromised radiated power and divertor heat flux measurements by reflection. Ray tracing and analysis codes have been developed to eliminate and correct the effects of reflection in the measurements. The characteristics of the reflecting surfaces depending on the roughness and angle of the incidence have been measured by dedicated experiments, and the results were applied to the reflection elimination. For the measurement of the metallic impurity radiation induced by eroded metallic atoms, a vacuum ultraviolet spectrometer has been developed and tested. An extensive thermonuclear diagnostic suite will be required to support the operation of ITER and the planned experimental program for future burning plasma experiments. Due to the harsh environmental conditions, the implementation of diagnostic systems in ITER is a major challenge. These conditions include high levels of neutron and gamma fluxes, neutron heating, particle bombardment. Therefore, the selection and design of diagnostic systems must take into account a number of phenomena previously unseen in diagnostic design. For this reason, the measurement of neutrons and confined or lost fast ions, with particular emphasis on alpha particles, is critical to ITER. The diagnostics associated with these measurements will be important for future plasma-burning experiments at ITER. The high neutron emission and very large plasma size in ITER make neutron diagnostics the main diagnostic method used to measure plasma parameters such as fusion power, fusion power density, ion temperature, energy of fast ions and their spatial distributions in the plasma core. Active spectroscopy techniques are methods where a neutral particle beam is injected into the plasma and information on plasma parameters is extracted from the measurement of line emission resulting from the beam-plasma interaction, either by plasma ions or by beam atoms. Spatial localization is achieved by crossing the beamline and multiple observation lines. The ITER plasma will be a high temperature, moderately dense, fully ionized collisional plasma. The plasma facing surfaces are principally metallic being fashioned from beryllium or tungsten but many other elements, arising from either structural or from operational needs, may enter this plasma. The energy range of the emitted photons range from meV (infra-red) to multi keV (x-rays) and originate from all areas of the plasma volume. The primary role of passive emission diagnostics is to identify what is in the plasma from spectral signatures. Extracting quantitative information from these measurements such as impurity content, ion temperature, rotation, degree of detachment and radiated power depends on calibrated instruments, a physics model of the atomic and molecular processes and plasma transport and an analysis workflow that takes into account environmental effects such as reflections. The particular needs for ITER have prompted a multi-machine, many-year effort to address all these aspects and this chapter reviews the work on diagnostic design, experiments and new analysis techniques. An overview of the laser diagnostics to be implemented on ITER is also provided in this paper. This includes descriptions of the Thomson scattering in the core, edge and divertor regions, polarimetry and interferometry diagnostics used for measuring plasma density and also measurements of helium density in the divertor using Laser Induced Flourescence. Techniques which can allow improvements on current measurements are also addressed in particular expanding poloidal polarimetry measurements to measure field fluctuations and proposed use of dispersion interferometery which has a number of advantages over existing methods. This paper identifies particular areas where further research and testing on existing tokamaks is useful even at this advanced stage to inform the design of diagnostics for ITER. Outstanding areas of concern for the implementation of laser diagnostics, in particular with a view to reliable operation are identified. An overview of the latest developments of microwave diagnostic systems and techniques is given. The primary focus is the contributions for ITER—the next step burning plasma experiment—which is supplemented by describing recent progress of techniques applicable for fusion experiments beyond ITER. The contributions are intentionally kept concise, and are being supplemented by a rich list of references for further studies. Radiation induced effects are receiving continuous and well-deserved attention of the ITER diagnostic community and they are in many cases one of the primary design drivers of the ITER diagnostic systems. The paper summarizes recent progress in this area focusing primarily on the ITER diagnostics but in some cases provides also outlook for the possible solutions for even more demanding radiation environment of fusion reactors beyond ITER. Despite advancements in the area of modeling and simulation of various radiation induced effects, experimental testing in a nuclear environment as close as possible to the target one is still seen as unavoidable for proper qualification of particular diagnostic functional elements. Recent advancement within three diagnostic areas: optical diagnostics, magnetics and bolometers is covered. Encouraging results on qualification of silica glass vacuum window assemblies are presented. In the area of magnetic sensors, progress of irradiation tests performed on ITER in-vessel LTCC inductive sensors is presented with outlook for novel technological approaches to inductive sensors utilizing thick printing and photolithography technologies being highlighted. Summary of advancements in the area of steady state magnetic field sensors based on Hall effect is given. New results of neutron irradiation test of the ITER borosilicate glass inserts for vacuum electrical feedthroughs are summarized finding negligible swelling at target level of neutron fluence. Off-line irradiation tests of fiber optic current sensors for plasma current measurement demonstrated that both for gamma doses up to 5 MGy and a total neutron fluence up to 10 15 cm −2 , radiation induced changes are still compatible with required measurement accuracy on ITER. The ITER bolometers are given as an example how considering radiation effects may influence the diagnostic design. Finally, outlook for future main R&D directions is outlined. All optical and laser-based diagnostics in ITER will be using mirrors to guide plasma radiation toward detectors, cameras and sensors. In the hostile plasma, radiation and particle environment the optical characteristics of diagnostic mirrors will degrade directly affecting the entire performance of involved diagnostic systems. An assessment of factors affecting mirror performance is provided. Among the prime adverse factors are deposition of plasma impurities, sputtering of mirror surface and steam ingress in the vicinity of mirrors. Within the International Tokamak Physics Activity with active support by ITER central team and domestic agencies, the structured research and development (R&D) program on mitigation of risks for diagnostic mirrors is underway. Within this program the mirror material development, the passive mitigation of mirror degradation by using diagnostic ducts and shutters along with an active mirror recovery program comprising the in-situ mirror cleaning and calibration is underway. Recent developments in diagnostic mirror R&D are described in this Chapter along with an example of their implementation of R&D solutions in ITER Infrared Thermography diagnostic. An assessment of still open engineering and physics questions, considerations on mirror risks during an early phase of ITER operation are given along with an overview of diagnostic mirror evolution in the late ITER operation stage toward the demonstration fusion power plant. Several crucial areas of diagnostic R&D outlined in ITER Research Plan are addressed. The basic control groups in a fusion reactor can be broken-down in five categories: (1) plasma position, magnetic configuration, and plasma current control, (2) profile control and confinement optimization, (3) MHD control and suppression, (4) edge dissipation control, radiation and plasma exhaust control and (5) break-down optimization. These categories are coupled via the physics (a control action in one domain will affect the other domains) and via shared actuators (e.g. ECRH for impurity accumulation avoidance, current density distribution control and MHD suppression). Consequently, a supervisory control system should determine the priority of the various control tasks, their couplings, and the interfaces with the safety and interlock system. For the systematic development of the various controllers taking the complexity of the plasma and the control system into account, a model-based approach is required. A short historical overview is given of the developments in systems and control theory and control engineering with special emphasis on those developments that are most relevant for Nuclear Fusion research and operation. An overview is given of the state of the field of fusion plasma control for the control categories. It will be shown how synthetic diagnostics are being developed in ITER and how they are used in diagnostic design and design validation and how they can be in model-based controller synthesis using relatively simple models. In modern control methods, multiple diagnostics are used to constrain relatively simple models. The constrained models provide an estimate for the state. This opens the route to state controllers, such as model predictive control. A major challenge in nuclear fusion research is the coherent combination of data from heterogeneous diagnostics and modeling codes for machine control and safety as well as physics studies. Measured data from different diagnostics often provide information about the same subset of physical parameters. Additionally, information provided by some diagnostics might be needed for the analysis of other diagnostics. A joint analysis of complementary and redundant data allows, e.g. to improve the reliability of parameter estimation, to increase the spatial and temporal resolution of profiles, to obtain synergistic effects, to consider diagnostics interdependencies and to find and resolve data inconsistencies. Physics-based modeling and parameter relationships provide additional information improving the treatment of ill-posed inversion problems. A coherent combination of all kind of available information within a probabilistic framework allows for improved data analysis results. The concept of integrated data analysis (IDA) in the framework of Bayesian probability theory is outlined and contrasted with conventional data analysis. Components of the probabilistic approach are summarized and specific ingredients beneficial for data analysis at fusion devices are discussed.

ITER↗

Near-Mars space

The prevalent attributes of near-Mars space are described: the ambient interplanetary environment, the ionosphere, the upper atmosphere, and more remote regions that are affected by the presence of Mars. The descriptions are based on existing Martian data and/or models constructed from measurements made near Venus. Specific attention is given to the features of solar wind interaction with magnetospheric and ionospheric obstacles. The high-altitude plasma and field environment, the energetic particle environment, the ionosphere environment, and the neutral upper atmosphere environment are described with extensive graphic information, based on existing measurements collected from nine Martian missions. The ionospheric obstacle is assumed to prevail as a mechanism for describing the scenario. Martian perturbation of solar wind is theorized to be of a relatively small order. A distinctive local energetic particle population of planetary origin is shown to result from the direct interaction of solar wind plasma. This phenomenon is considered evidence of the important scavenging of planetary elements from Mars. The absence of a planetary dipole field around Mars, like its low gravity and distance from the sun, is considered important in determining the environment of this earthlike laboratory.

Luhmann, J. G.↗

Position-space renormalization schemes for four-quark operators in HQET

Abstract X-space schemes are gauge-invariant, regulator-independent renormalization schemes that are defined by requiring position-space correlation functions of gauge-invariant operators to be equal to their noninteracting values at particular kinematic points. These schemes can be used to nonperturbatively renormalize composite operators in Lattice Quantum Chromodynamics (LQCD), and by computing matching coefficients between theX-space scheme and$$ \overline{\textrm{MS}} $$ MS ¯ in the dimensionally-regulated continuum, matrix elements calculated with LQCD can be converted to$$ \overline{\textrm{MS}} $$ MS ¯ -renormalized matrix elements. UsingX-space schemes for Heavy Quark Effective Theory (HQET) operators has the additional benefit that appropriate ratios of position-space correlation functions cancel the power-divergent static-quark self-energy of Lattice HQET nonperturbatively. This work presents theO(α S ) matching coefficients betweenX-space renormalized four-quark flavor-nonsinglet HQET operators relevant for the lifetimes of charm- and bottom-hadrons, and four-quark HQET operators relevant for mixing between neutral mesons containing a heavy quark, such asB−$$ \overline{B} $$ B ¯ mixing.

Physics↗

Micro-beam bending of FCC bicrystals: A comparison between defect dynamics simulations and experiments

To understand the role of the grain boundary (GB) in plasticity at small scale, a concurrently coupled mesoscale plasticity model was developed to simulate micro-bending of bicrystalline micron-sized beams. By coupling dislocation dynamics (DD) with a finite element model (FEM), a novel defect dynamics model provides the means to investigate intricate interactions between dislocations and GBs under various loading conditions. Our simulations of micro-bending agree well with corresponding micro-bending experiments, and they show that mechanical response of bicrystals could have not only hardening but also softening depending on the characters of the GB. In addition, changing the location of the GB in the microbeams results in different mechanical responses; GBs located at the neutral plane show softening compared to single crystals, while inclined GBs located halfway along the length of the beam show little effect. In conclusion, simulation results could provide a clear picture on detailed dislocation-GB interactions, and quantitative resolved shear stress analysis supplemented by dislocation density distribution is used to analyze the mechanical response of bicrystalline samples.

36 MATERIALS SCIENCE↗

Localized Excitons in NbSe 2 -MoSe 2 Heterostructures

Neutral and charged excitons (trions) in atomically thin materials offer important capabilities for photonics, from ultrafast photodetectors to highly efficient light-emitting diodes and lasers. Recent studies of van der Waals (vdW) heterostructures comprised of dissimilar monolayer materials have uncovered a wealth of optical phenomena that are predominantly governed by interlayer interactions. Here, we examine the optical properties in NbSe 2 -MoSe 2 vdW hetero- structures, which provide an important model system to study metal–semiconductor interfaces, a common element in optoelectronics. Through low-temperature photoluminescence (PL) microscopy, we discover a sharp emission feature, L1, that is localized at the NbSe 2 -capped regions of MoSe 2 . L1 is observed at energies below the commonly studied MoSe 2 excitons and trions and exhibits temperature- and power-dependent PL consistent with exciton localization in a confining potential. This PL feature is robust, observed in a variety of samples fabricated with different stacking geometries and cleaning procedures. Using first-principles calculations, we reveal that the confinement potential required for exciton localization naturally arises from the in-plane band bending due to the changes in the electron affinity between pristine MoSe 2 and NbSe 2 -MoSe 2 heterostructure. Here, we discuss the implications of our studies for atomically thin optoelectronics devices with atomically sharp interfaces and tunable electronic structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Elucidating electrochemical nitrate and nitrite reduction over atomically-dispersed transition metal sites

Abstract Electrocatalytic reduction of waste nitrates (NO 3 − ) enables the synthesis of ammonia (NH 3 ) in a carbon neutral and decentralized manner. Atomically dispersed metal-nitrogen-carbon (M-N-C) catalysts demonstrate a high catalytic activity and uniquely favor mono-nitrogen products. However, the reaction fundamentals remain largely underexplored. Herein, we report a set of 14; 3 d -, 4 d -, 5 d - and f -block M-N-C catalysts. The selectivity and activity of NO 3 − reduction to NH 3 in neutral media, with a specific focus on deciphering the role of the NO 2 − intermediate in the reaction cascade, reveals strong correlations (R=0.9) between the NO 2 − reduction activity and NO 3 − reduction selectivity for NH 3 . Moreover, theoretical computations reveal the associative/dissociative adsorption pathways for NO 2 − evolution, over the normal M-N 4 sites and their oxo-form (O-M-N 4 ) for oxyphilic metals. This work provides a platform for designing multi-element NO 3 RR cascades with single-atom sites or their hybridization with extended catalytic surfaces.

36 MATERIALS SCIENCE↗

Broadband Direct Detection Submillimeter Spectrometer with Multiplexed Superconducting Transition Edge Thermometer Bolometers

We present performance results based on the first astronomical use of multiplexed superconducting bolometers as direct detectors (i.e., with cold electrons) for spectroscopy. The Fabry-Perot Interferometer Bolometer Research Experiment (FIBRE) is a broadband submillimeter spectrometer for the Caltech Submillimeter Observatory (CSO). FIBRE's detectors are superconducting transition edge sensor (TES) bolometers read out by a SQUID multiplexer. The Fabry-Perot uses a low resolution grating to order sort the incoming light. A linear bolometer array consisting of 16 elements detects this dispersed light, capturing 5 orders simultaneously from one position on the sky. With tuning of the Fabry-Perot over one free spectral range, a spectrum covering Delta lambda/lambda = 1/7 at a resolution of delta lambda/lambda = 1/1200 can be acquired. This spectral resolution is sufficient to resolve Doppler-broadened line emission from external galaxies. FIBRE has been operated in the 350 Am (850 GHz) band. These bands cover line emission from the important star formation tracers neutral carbon [CI] and carbon monoxide (CO).

Benford, D. J.↗

First Astronomical Use of Multiplexed Transition Edge Sensor Bolometers

We present performance results based on the first astronomical use of multiplexed superconducting bolometers. The Fabry-Perot Interferometer Bolometer Research Experiment (FIBRE) is a broadband submillimeter spectrometer that achieved first light in June 2001 at the Caltech Submillimeter Observatory (CSO). FIBRE's detectors are superconducting transition edge sensor (TES) bolometers read out by a SQUID multiplexer. The Fabry-Perot uses a low resolution grating to order sort the incoming light. A linear bolometer array consisting of 16 elements detects this dispersed light, capturing 5 orders simultaneously from one position on the sky. With tuning of the Fabry-Perot over one free spectral range, a spectrum covering Delta lambda/lambda = 1/7 at a resolution of delta lambda/lambda approx. 1/1200 can be acquired. This spectral resolution is sufficient to resolve Doppler-broadened line emission from external galaxies. FIBRE operates in the 350 m and 450 m bands. These bands cover line emission from the important star formation tracers neutral carbon (CI) and carbon monoxide (CO). We have verified that the multiplexed bolometers are photon noise limited even with the low power present in moderate resolution spectrometry.

Staguhn, J. G.↗

True Concurrent Thermal Engineering Integrating CAD Model Building with Finite Element and Finite Difference Methods

Thermal engineering has long been left out of the concurrent engineering environment dominated by CAD (computer aided design) and FEM (finite element method) software. Current tools attempt to force the thermal design process into an environment primarily created to support structural analysis, which results in inappropriate thermal models. As a result, many thermal engineers either build models "by hand" or use geometric user interfaces that are separate from and have little useful connection, if any, to CAD and FEM systems. This paper describes the development of a new thermal design environment called the Thermal Desktop. This system, while fully integrated into a neutral, low cost CAD system, and which utilizes both FEM and FD methods, does not compromise the needs of the thermal engineer. Rather, the features needed for concurrent thermal analysis are specifically addressed by combining traditional parametric surface based radiation and FD based conduction modeling with CAD and FEM methods. The use of flexible and familiar temperature solvers such as SINDA/FLUINT (Systems Improved Numerical Differencing Analyzer/Fluid Integrator) is retained.

Panczak, Tim↗

First Astronomical Use Of Multiplexed Transition Edge Bolometers

We present performance results based on the first astronomical use of multiplexed superconducting bolometers. The Fabry-Perot Interferometer Bolometer Research Experiment (FIBRE) is a broadband submillimeter spectrometer that achieved first light in June 2001 at the Caltech Submillimeter Observatory (CSO). FIBRE's detectors are superconducting transition edge sensor (TES) bolometers read out by a SQUID multiplexer. The Fabry-Perot uses a low resolution grating to order sort the incoming light. A linear bolometer array consisting of 16 elements detects this dispersed light, capturing five orders simultaneously from one position on the sky. With tuning of the Fabry-Perot over one free spectral range, a spectrum covering delta-lamda/lamda = 1/7 at a resolution of delta-lamda/lamda = 1/1200 can be acquired. This spectral resolution is sufficient to resolve doppler broadened line emission from external galaxies. FIBRE operates in the 350 micrometer and 450 micrometer bands. These bands cover line emission from the important PDR tracers neutral carbon [CI] and carbon monoxide (CO). We have verified that the multiplexed bolometers are photon noise limited even with the low power present in moderate resolution spectrometry.

Benford, D. J.↗

Partitioning behavior and mechanisms of rare earth elements during precipitation in acid mine drainage

Rare earth elements (REEs) are frequently found concentrated in acid mine drainage (AMD). The recovery of REEs from AMD has been successfully achieved using selective chemical precipitation. However, a portion of the REEs is often lost to the precipitates of the dominant metal contaminant ions. To better understand the REE partitioning behavior and mechanisms during the precipitation process, a systematic study was performed on both natural and synthetic AMD solutions. Precipitation test results show that REE removal was noticeably elevated at pH 4.0 after adding H 2 O 2 to convert ferrous to ferric ions, causing nearly complete precipitation of iron. Solution equilibrium calculations suggested that the REE removal increase was realized through adsorption onto the surfaces of the ferric precipitates. The presence of aluminum species in the solutions reduced the adsorption of REEs on the ferric precipitates. Based on electro-kinetic test results, it was concluded that aluminum species neutralize the negative surface charge of the ferric precipitates and compete with REEs for the adsorption active sites. The presence of ferrous ions in the solutions reduced REE adsorption on the aluminum precipitates at lower pH values (e.g., 5.0) due to competitive adsorption. However, at higher pH values (e.g., 6.0), REE removal to the precipitate product increased due to the precipitation of ferrous ions. Additionally, to the electro-kinetic tests and solution equilibrium calculations, mineralogy characterization, specific surface area measurement, particle size analysis, and morphology analysis were also conducted to investigate and identify the partitioning mechanisms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Mid-Infrared Spectroscopy of Polycyclic Aromatic Nitrogen Heterocycles (PANHS) and their Ions

In recent years, polycyclic aromatic nitrogen heterocycles (PANHs) have attracted a good deal of attention because of their potent carcinogenic and mutagenic properties, and their prevalence in our environment. Such species also play a prominent role in the chemistry of life up to and including the very nucleobases from which our DNA is constructed. Surprisingly, these compounds may even be common outside of our terrestrial environment. To wit, it is now widely accepted that polycyclic aromatic materials are abundant in space and represent a major reservoir of organic carbon in the interstellar medium and developing planetary systems. Given that nitrogen is the fourth most abundant chemically reactive element in space (surpassed only by hydrogen, carbon, and oxygen), it is entirely reasonable to suspect that PANHs may represent an important component of that organic reservoir. Motivated by their intrinsic merit and with special attention toward evaluating their exobiological significance, we have initiated a program to study the spectroscopic and chemical properties of P A " s under conditions relevant to extraterrestrial environments. Here we present the first results of that program-infrared spectroscopic measurements on a series of PANH"s in neutral and cationic forms, isolated in inert matrices at cryogenic temperatures.temperatures. The species studied include: 1 -, and 2-azabenz[a]anthracene, 1-, 2-, and 4- azachrysene, dibenz[a,h]acridine, and dibenz[a,J)acridine. The experimental measurements are also compared with theoretical spectra calculated using density functional theory. General spectroscopic trends observed in this series of compounds are discussed and the implications of these results for Astrophysics and Exobiology are considered.

Mattioda, Andrew L.↗

Chemical and Structural Evolution of AgCu Catalysts in Electrochemical CO 2 Reduction

Silver–copper (AgCu) bimetallic catalysts hold great potential for electrochemical carbon dioxide reduction reaction (CO 2 RR), which is a promising way to realize the goal of carbon neutrality. Although a wide variety of AgCu catalysts have been developed so far, it is relatively less explored how these AgCu catalysts evolve during CO 2 RR. The absence of insights into their stability makes the dynamic catalytic sites elusive and hampers the design of AgCu catalysts in a rational manner. Here, in this study, we synthesized intermixed and phase-separated AgCu nanoparticles on carbon paper electrodes and investigated their evolution behavior in CO 2 RR. Our time-sequential electron microscopy and elemental mapping studies show that Cu possesses high mobility in AgCu under CO 2 RR conditions, which can leach out from the catalysts by migrating to the bimetallic catalyst surface, detaching from the catalysts, and agglomerating as new particles. Besides, Ag and Cu manifest a trend to phase-separate into Cu-rich and Ag-rich grains, regardless of the starting catalyst structure. The composition of the Cu-rich and Ag-rich grains diverges during the reaction and eventually approaches thermodynamic values, i.e., Ag 0.88 Cu 0.12 and Ag 0.05 Cu 0.95 . The separation between Ag and Cu has been observed in the bulk and on the surface of the catalysts, highlighting the importance of AgCu phase boundaries for CO 2 RR. In addition, an operando high-energy-resolution X-ray absorption spectroscopy study confirms the metallic state of Cu in AgCu as the catalytically active sites during CO 2 RR. Taken together, this work provides a comprehensive understanding of the chemical and structural evolution behavior of AgCu catalysts in CO 2 RR.

Chen, Peng-Cheng↗

Conceptual Design of a Scintillator-Based Fast-Ion Loss Detector for the Wendelstein 7-X Stellarator

Here, a conceptual design of a scintillator-based fast-ion loss detector (FILD) has been developed for the Wendelstein 7-X stellarator (W7-X). Simulations using the Monte Carlo codes ASCOT5 and BEAMS3D have been performed to calculate the expected flux of neutral beam injection (NBI)-generated fast hydrogen ions onto the conceptual detector probe head. These fast-ion loss fluxes have been calculated for several magnetic field configurations as well as probe insertion positions. At the maximum insertion position, both co-and counter-going losses with high incident pitch angles are observed; however, at retracted positions, only co-going fast ions reach the probe head. The FILDSIM code has been used to optimize the geometry of the detector entrance and collimating elements to achieve a wide velocity space coverage as well as a high velocity–space resolution. A synthetic FILD signal is calculated for the expected loss distribution via forward modeling using the instrument response function. The synthetic signal is found to largely retain the velocity space features of the loss distribution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A coupled cluster framework for electrons and phonons

Here, we describe a coupled cluster framework for coupled systems of electrons and harmonic phonons. Neutral and charged excitations are accessed via the equation-of-motion version of the theory. Benchmarks on the Hubbard–Holstein model allow us to assess the strengths and weaknesses of different coupled cluster approximations, which generally perform well for weak to moderate coupling. Finally, we report progress toward an implementation for ab initio calculations on solids and present some preliminary results on finite-size models of diamond with a linear electron–phonon coupling. We also report the implementation of electron–phonon coupling matrix elements from crystalline Gaussian type orbitals within the PySCF program package.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗