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The quantum approximate optimisation algorithm (QAOA) is at the core of many scenarios that aim to combine the power of quantum computers and classical high-performance computing appliances for combinatorial optimisation. Several obstacles challenge concrete benefits now and in the foreseeable future: Imperfections quickly degrade algorithmic performance below practical utility; overheads arising from alternating between classical and quantum primitives can counter any advantage; and the choice of parameters or algorithmic variant can substantially influence runtime and result quality. Selecting the optimal combination is a non-trivial issue, as it not only depends on user requirements, but also on details of the hardware and software stack. Appropriate automation can lift the burden of choosing optimal combinations for end-users: They should not be required to understand technicalities like differences between QAOA variants, required number of QAOA layers, or necessary measurement samples. Yet, they should receive best-possible satisfaction of their non-functional requirements, be it performance or other. We determine factors that affect solution quality and temporal behaviour of four QAOA variants using comprehensive density-matrix-based simulations targeting three widely studied optimisation problems. Our simulations consider ideal quantum computation, and a continuum of scenarios troubled by realistic imperfections. Our quantitative results, accompanied by a comprehensive reproduction package, show strong differences between QAOA variants that can be pinpointed to narrow and specific effects. We identify influential co-variables and relevant non-functional quality goals that, we argue, mark the relevant ingredients for designing appropriate software engineering abstraction mechanisms and automated tool-chains for devising quantum solutions from high-level problem specifications., Comment: To be published as a workshop paper at QCE 2024 (WIHPQC 2024)

Submillimeter and millimeter wavelengths provide a unique view of the Universe, from the gas and dust that fills and surrounds galaxies to the chromosphere of our own Sun. Current single-dish facilities have presented a tantalising view of the brightest (sub-)mm sources, and interferometers have provided the exquisite resolution necessary to analyse the details in small fields, but there are still many open questions that cannot be answered with current facilities. In this report we summarise the science that is guiding the design of the Atacama Large Aperture Submillimeter Telescope (AtLAST). We demonstrate how tranformational advances in topics including star formation in high redshift galaxies, the diffuse circumgalactic medium, Galactic ecology, cometary compositions and solar flares motivate the need for a 50m, single-dish telescope with a 1-2 degree field of view and a new generation of highly multiplexed continuum and spectral cameras. AtLAST will have the resolution to drastically lower the confusion limit compared to current single-dish facilities, whilst also being able to rapidly map large areas of the sky and detect extended, diffuse structures. Its high sensitivity and large field of view will open up the field of submillimeter transient science by increasing the probability of serendipitous detections. Finally, the science cases listed here motivate the need for a highly flexible operations model capable of short observations of individual targets, large surveys, monitoring programmes, target of opportunity observations and coordinated observations with other observatories. AtLAST aims to be a sustainable, upgradeable, multipurpose facility that will deliver orders of magnitude increases in sensitivity and mapping speeds over current and planned submillimeter observatories., Comment: 47 pages, 12 figures. For further details on AtLAST see https://atlast.uio.no

Sub-mm and mm wavelengths provide a unique view of the Universe, from the gas and dust that fills and surrounds galaxies to the chromosphere of our own Sun. Current single-dish facilities have presented a tantalising view of the brightest (sub-)mm sources, and interferometers have provided the exquisite resolution necessary to analyse the details in small fields, but there are still many open questions that cannot be answered with current facilities: Where are all the baryons? How do structures interact with their environments? What does the time-varying (sub-)mm sky look like? In order to make major advances on these questions and others, what is needed now is a facility capable of rapidly mapping the sky spatially, spectrally, and temporally, which can only be done by a high throughput, single-dish observatory. An extensive design study for this new facility is currently being undertaken. In this paper, we focus on the key science drivers and the requirements they place on the observatory. As a 50m single dish telescope with a 1-2{\deg} field of view, the strength of the Atacama Large Aperture Submillimeter Telescope (AtLAST) is in science where a large field of view, highly multiplexed instrumentation and sensitivity to faint large-scale structure is important. AtLAST aims to be a sustainable, upgradeable, multipurpose facility that will deliver orders of magnitude increases in sensitivity and mapping speeds over current and planned telescopes., Comment: 12 pages, Conference proceedings paper for the 2024 SPIE Astronomical Telescopes + Instrumentation meeting

Titan's atmospheric composition and dynamical state have previously been studied over numerous epochs by both ground- and space-based facilities. However, stratospheric measurements remain sparse during Titan's northern summer and fall. The lack of seasonal symmetry in observations of Titan's temperature field and chemical abundances raises questions about the nature of the middle atmosphere's meridional circulation and evolution over Titan's 29-yr seasonal cycle that can only be answered through long-term monitoring campaigns. Here, we present maps of Titan's stratospheric temperature, acetonitrile (or methyl cyanide; CH$_3$CN), and monodeuterated methane (CH$_3$D) abundances following Titan's northern summer solstice obtained with Band 9 ($\sim0.43$ mm) ALMA observations. We find that increasing temperatures towards high-southern latitudes, currently in winter, resemble those observed during Titan's northern winter by the Cassini mission. Acetonitrile abundances have changed significantly since previous (sub)millimeter observations, and we find that the species is now highly concentrated at high-southern latitudes. The stratospheric CH$_3$D content is found to range between 4-8 ppm in these observations, and we infer the CH$_4$ abundance to vary between $\sim0.9-1.6\%$ through conversion with previously measured D/H values. A global value of CH$_4=1.15\%$ was retrieved, lending further evidence to the temporal and spatial variability of Titan's stratospheric methane when compared with previous measurements. Additional observations are required to determine the cause and magnitude of stratospheric enhancements in methane during these poorly understood seasons on Titan., Comment: Accepted for publication in the Planetary Science Journal. 9 Figures, 1 table

The study of transient and variable events, including novae, active galactic nuclei, and black hole binaries, has historically been a fruitful path for elucidating the evolutionary mechanisms of our universe. The study of such events in the millimeter and submillimeter is, however, still in its infancy. Submillimeter observations probe a variety of materials, such as optically thick dust, which are hard to study in other wavelengths. Submillimeter observations are sensitive to a number of emission mechanisms, from the aforementioned cold dust, to hot free-free emission, and synchrotron emission from energetic particles. Study of these phenomena has been hampered by a lack of prompt, high sensitivity submillimeter follow-up, as well as by a lack of high-sky-coverage submillimeter surveys. In this paper, we describe how the proposed Atacama Large Aperture Submillimeter Telescope (AtLAST) could fill in these gaps in our understanding of the transient universe. We discuss a number of science cases that would benefit from AtLAST observations, and detail how AtLAST is uniquely suited to contributing to them. In particular, AtLAST's large field of view will enable serendipitous detections of transient events, while its anticipated ability to get on source quickly and observe simultaneously in multiple bands make it also ideally suited for transient follow-up. We make theoretical predictions for the instrumental and observatory properties required to significantly contribute to these science cases, and compare them to the projected AtLAST capabilities. Finally, we consider the unique ways in which transient science cases constrain the observational strategies of AtLAST, and make prescriptions for how AtLAST should observe in order to maximize its transient science output without impinging on other science cases., Comment: 19 pages, 5 figures

Saturn's moon Titan possesses stratospheric zonal winds that places it among a sparse class of planetary bodies known to have superrotation in their atmospheres. Few measurements have been made of these speeds in the upper stratosphere, leaving their seasonal variations still not well understood. We examined observations made with the extended Submillimeter Array (eSMA) in 2009 March (L\textsubscript{s}=355\textdegree{}) and 2010 February (L\textsubscript{s}=5\textdegree{}), shortly before and after Titan's northern spring equinox. Cassini observations and atmospheric models find equinoctial periods to be especially dynamic. Zonal wind calculations, derived from the Doppler frequency shift of CH\textsubscript{3}CN near 349.4 GHz, yielded speeds of 128 $\pm$ 27 m s\textsuperscript{-1} in 2009 and 209 $\pm$ 48 m s\textsuperscript{-1} in 2010. We estimated the measured emission to originate from vertical altitudes of $336^{+112}_{-88}$ kilometers, equivalent to pressures of $3.8^{+19.2}_{-3.4}$ Pa, commensurate with Titan's upper stratosphere/lower mesosphere. This suggests a possible increase in zonal speeds during this period. The results are then compared to those from previous Cassini-inferred and direct-interferometric observations of winds, as well as general circulation model simulations, to form a more complete picture of the seasonal cycle of stratospheric zonal winds., Comment: Accepted to the Planetary Science Journal; will be published 2024 April 12

The subsurface ocean of Europa is a high priority target in the search for extraterrestrial life, but direct investigations are hindered by the presence of a thick, exterior ice shell. Here we present spectral line and continuum maps of Europa obtained over four epochs in May-June 2021 using the Atacama Large Millimeter/submillimeter Array (ALMA), to search for molecular emission from atmospheric plumes, with the aim of investigating subsurface processes. Using a 3D physical model, we obtained upper limits for the plume abundances of HCN, H$_2$CO, SO$_2$ and CH$_3$OH. If active plume(s) were present, they contained very low abundances of these molecules. Assuming a total gas production rate of $10^{29}$ s$^{-1}$, our H$_2$CO abundance upper limit of $<0.016$\% is more than an order of magnitude less than measured in the Enceladus plume by the Cassini spacecraft, implying a possible chemical difference between the plume source materials for these two icy moons., Comment: Submitted to IAU Symposium 383 conference proceedings --- Astrochemistry VIII: From the First Galaxies to the Formation of Habitable Worlds

Monitoring the health of lithium-ion batteries' internal components as they age is crucial for optimizing cell design and usage control strategies. However, quantifying component-level degradation typically involves aging many cells and destructively analyzing them throughout the aging test, limiting the scope of quantifiable degradation to the test conditions and duration. Fortunately, recent advances in physics-informed machine learning (PIML) for modeling and predicting the battery state of health demonstrate the feasibility of building models to predict the long-term degradation of a lithium-ion battery cell's major components using only short-term aging test data by leveraging physics. In this paper, we present four approaches for building physics-informed machine learning models and comprehensively compare them, considering accuracy, complexity, ease-of-implementation, and their ability to extrapolate to untested conditions. We delve into the details of each physics-informed machine learning method, providing insights specific to implementing them on small battery aging datasets. Our study utilizes long-term cycle aging data from 24 implantable-grade lithium-ion cells subjected to varying temperatures and C-rates over four years. This paper aims to facilitate the selection of an appropriate physics-informed machine learning method for predicting long-term degradation in lithium-ion batteries, using short-term aging data while also providing insights about when to choose which method for general predictive purposes., Comment: It's an unformatted version of the paper titled 'Physics-Informed Machine Learning for Battery Degradation Diagnostics: A Comparison of State-of-the-Art Methods,' published in Energy Storage Materials, Volume 68, 103343. This version includes an acknowledgment section, which is not present in the journal-published version. Please cite the journal version when you refer to this study

In a dense plasma environment, the energy levels of an ion shift relative to the isolated ion values. This shift is reflected in the optical spectrum of the plasma and can be measured in, for example, emission experiments. In this work, we use a recently developed method of modeling electronic states in warm dense matter to predict these level energies. In this model, excited state energies are calculated directly by enforcing constrained one-electron occupation factors, thus allowing the calculation of specific transition and ionization energies. This model includes plasma effects self-consistently, so the effect of continuum lowering is included in an ab-initio sense. We use the model to calculate the K-edge and K-alpha energies of solid density magnesium, aluminum, and silicon over a range of temperatures, finding close agreement with experimental results. We also calculate the ionization potential depression (IPD) to compare to widely used models, and investigate the effects of temperature on the lowering of the continuum.

During the most active period of star formation in galaxies, which occurs in the redshift range 1

The study of planets and small bodies within our Solar System is fundamental for understanding the formation and evolution the Earth and other planets. Compositional and meteorological studies of the giant planets provide a foundation for understanding the nature of the most commonly observed exoplanets, while spectroscopic observations of the atmospheres of terrestrial planets, moons, and comets provide insights into the past and present-day habitability of planetary environments, and the availability of the chemical ingredients for life. While prior and existing (sub)millimeter observations have led to major advances in these areas, progress is hindered by limitations in the dynamic range, spatial and temporal coverage, as well as sensitivity of existing telescopes and interferometers. Here, we summarize some of the key planetary science use cases that factor into the design of the Atacama Large Aperture Submillimeter Telescope (AtLAST), a proposed 50-m class single dish facility: (1) to more fully characterize planetary wind fields and atmospheric thermal structures, (2) to measure the compositions of icy moon atmospheres and plumes, (3) to obtain detections of new, astrobiologically relevant gases and perform isotopic surveys of comets, and (4) to perform synergistic, temporally-resolved measurements in support of dedicated interplanetary space missions. The improved spatial coverage (several arcminutes), resolution ($\sim1.2''-12''$), bandwidth (several tens of GHz), dynamic range ($\sim10^5$) and sensitivity ($\sim1$ mK km s$^{-1}$) required by these science cases would enable new insights into the chemistry and physics of planetary environments, the origins of prebiotic molecules and the habitability of planetary systems in general., Comment: Submitted to Open Research Europe (AtLAST collection). 19 pages

Understanding the physical processes that regulate star formation and galaxy evolution are major areas of activity in modern astrophysics. Nearby galaxies offer unique opportunities to inspect interstellar medium (ISM), star formation (SF), radiative, dynamic and magnetic physics in great detail from sub-galactic (kpc) scales to sub-cloud (sub-pc) scales, from quiescent galaxies to starbursts, and from field galaxies to overdensities. In this case study, we discuss the major breakthroughs in this area of research that will be enabled by the Atacama Large Aperture Submillimeter Telescope (AtLAST), a proposed 50-m single-dish submillimeter telescope. The new discovery space of AtLAST comes from its exceptional sensitivity, in particular to extended low surface brightness emission, a very large 2 degree field of view, and correspondingly high mapping efficiency. This paper focuses on four themes which will particularly benefit from AtLAST: 1) the LMC and SMC, 2) extragalactic magnetic fields, 3) the physics and chemistry of the interstellar medium, and 4) star formation and galaxy evolution. With ~1000-2000h surveys each, AtLAST could deliver deep dust continuum maps of the entire LMC and SMC fields at parsec-scale resolution, high-resolution maps of the magnetic field structure, gas density, temperature and composition of the dense and diffuse ISM in ~100 nearby galaxies, as well as the first large-scale blind CO survey in the nearby Universe, delivering molecular gas masses for up to 10^6 galaxies (3 orders of magnitude more than current samples). Through such observing campaigns, AtLAST will have a profound impact on our understanding of the baryon cycle and star formation across a wide range of environments., Comment: 29 pages, 11 figues, submitted to Open Research Europe as part of the AtLAST collection: https://open-research-europe.ec.europa.eu/collections/atlast/about

Our knowledge of galaxy formation and evolution has incredibly progressed through multi-wavelength observational constraints of the interstellar medium (ISM) of galaxies at all cosmic epochs. However, little is known about the physical properties of the more diffuse and lower surface brightness reservoir of gas and dust that extends beyond ISM scales and fills dark matter haloes of galaxies up to their virial radii, the circumgalactic medium (CGM). New theoretical studies increasingly stress the relevance of the latter for understanding the feedback and feeding mechanisms that shape galaxies across cosmic times, whose cumulative effects leave clear imprints into the CGM. Recent studies are showing that a -- so far unconstrained -- fraction of the CGM mass may reside in the cold (T < 1e4 K) molecular and atomic phase, especially in high-redshift dense environments. These gas phases, together with the warmer ionised phase, can be studied in galaxies from z ~ 0 to z ~ 10 through bright far-infrared and sub-millimeter emission lines such as [C II] 158${\mu}$m, [O III] 88 ${\mu}$m, [C I] 609${\mu}$m, [C I] 370${\mu}$m, and the rotational transitions of CO. Imaging such hidden cold CGM can lead to a breakthrough in galaxy evolution studies but requires a new facility with the specifications of the proposed Atacama Large Aperture Submillimeter Telescope (AtLAST). In this paper, we use theoretical and empirical arguments to motivate future ambitious CGM observations with AtLAST and describe the technical requirements needed for the telescope and its instrumentation to perform such science., Comment: Submitted to Open Research Europe as part of the AtLAST collection: https://open-research-europe.ec.europa.eu/collections/atlast/about

Observations at (sub-)millimeter wavelengths offer a complementary perspective on our Sun and other stars, offering significant insights into both the thermal and magnetic composition of their chromospheres. Despite the fundamental progress in (sub-)millimeter observations of the Sun, some important aspects require diagnostic capabilities that are not offered by existing observatories. In particular, simultaneously observations of the radiation continuum across an extended frequency range would facilitate the mapping of different layers and thus ultimately the 3D structure of the solar atmosphere. Mapping large regions on the Sun or even the whole solar disk at a very high temporal cadence would be crucial for systematically detecting and following the temporal evolution of flares, while synoptic observations, i.e., daily maps, over periods of years would provide an unprecedented view of the solar activity cycle in this wavelength regime. As our Sun is a fundamental reference for studying the atmospheres of active main sequence stars, observing the Sun and other stars with the same instrument would unlock the enormous diagnostic potential for understanding stellar activity and its impact on exoplanets. The Atacama Large Aperture Submillimeter Telescope (AtLAST), a single-dish telescope with 50\,m aperture proposed to be built in the Atacama desert in Chile, would be able to provide these observational capabilities. Equipped with a large number of detector elements for probing the radiation continuum across a wide frequency range, AtLAST would address a wide range of scientific topics including the thermal structure and heating of the solar chromosphere, flares and prominences, and the solar activity cycle. In this white paper, the key science cases and their technical requirements for AtLAST are discussed., Comment: 14 pages, 4 figures, submitted to Open Research Europe as part of a collection on the Atacama Large Aperture Submillimeter Telescope (AtLAST)

As we learn more about the multi-scale interstellar medium (ISM) of our Galaxy, we develop a greater understanding for the complex relationships between the large-scale diffuse gas and dust in Giant Molecular Clouds (GMCs), how it moves, how it is affected by the nearby massive stars, and which portions of those GMCs eventually collapse into star forming regions. The complex interactions of those gas, dust and stellar populations form what has come to be known as the ecology of our Galaxy. Because we are deeply embedded in the plane of our Galaxy, it takes up a significant fraction of the sky, with complex dust lanes scattered throughout the optically recognisable bands of the Milky Way. These bands become bright at (sub-)millimetre wavelengths, where we can study dust thermal emission and the chemical and kinematic signatures of the gas. To properly study such large-scale environments, requires deep, large area surveys that are not possible with current facilities. Moreover, where stars form, so too do planetary systems, growing from the dust and gas in circumstellar discs, to planets and planetesimal belts. Understanding the evolution of these belts requires deep imaging capable of studying belts around young stellar objects to Kuiper belt analogues around the nearest stars. Here we present a plan for observing the Galactic Plane and circumstellar environments to quantify the physical structure, the magnetic fields, the dynamics, chemistry, star formation, and planetary system evolution of the galaxy in which we live with AtLAST; a concept for a new, 50m single-dish sub-mm telescope with a large field of view which is the only type of facility that will allow us to observe our Galaxy deeply and widely enough to make a leap forward in our understanding of our local ecology., Comment: 27 pages, submitted to Open Research Europe as part of the AtLAST collection: https://open-research-europe.ec.europa.eu/collections/atlast/about

An omnipresent feature of the multi-phase ``cosmic web'' is that warm/hot (>$10^5$ K) ionized gas pervades it. This gas constitutes a relevant contribution to the overall universal matter budget across multiple scales, from the several tens of Mpc-scale IGM filaments, to the Mpc ICM, all the way down to the CGM surrounding individual galaxies, on scales from ~1 kpc up to their respective virial radii (~100 kpc). The study of the hot baryonic component of cosmic matter density represents a powerful means for constraining the intertwined evolution of galactic populations and large-scale cosmological structures, for tracing the matter assembly in the Universe and its thermal history. To this end, the SZ effect provides the ideal observational tool for measurements out to the beginnings of structure formation. The SZ effect is caused by the scattering of the photons from the cosmic microwave background off the hot electrons embedded within cosmic structures, and provides a redshift-independent perspective on the thermal and kinematic properties of the warm/hot gas. Still, current and future (sub)mm facilities have been providing only a partial view of the SZ Universe due to any combination of: limited angular resolution, spectral coverage, field of view, spatial dynamic range, sensitivity. In this paper, we motivate the development of a wide-field, broad-band, multi-chroic continuum instrument for the Atacama Large Aperture Submillimeter Telescope (AtLAST) by identifying the scientific drivers that will deepen our understanding of the complex thermal evolution of cosmic structures. On a technical side, this will necessarily require efficient multi-wavelength mapping of the SZ signal with an unprecedented spatial dynamic range (from arcsecond to degree scales) and we employ theoretical forecasts to determine the key instrumental constraints for achieving our goals. [abridged], Comment: 29 pages, 17 figures, 1 table. Submitted to Open Research Europe as part of the AtLAST Design Study collection: https://open-research-europe.ec.europa.eu/collections/atlast/about. Comments are welcome

The temperature structure of Titan's upper atmosphere exhibits large variability resulting from numerous spatially and temporally irregular external energy sources, seasonal changes, and the influence of molecular species produced via photochemistry. In particular, Titan's relatively abundant HCN is thought to provide substantial cooling to the upper atmosphere through rotational emission, balancing UV/EUV heating and thermal conduction. Here, we present the analysis of ALMA observations of Titan from 2012, 2014, 2015, and 2017, corresponding to planetocentric solar longitudes of ~34-89$^{\circ}$, including vertical HCN and temperature profiles retrieved from the lower mesosphere through the thermosphere (~350-1200 km; $3\times10^{-2}$-$2\times10^{-8}$ mbar). Throughout the atmosphere, temperature profiles differ by 10 to 30 K between observations approximately one Earth year apart, particularly from 600-900 km. We find evidence for a large imbalance in Titan's upper atmospheric energy budget between 2014 and 2015, where the mesospheric thermal structure changes significantly and marks the transition between a mesopause located at ~600 km ($2\times10^{-4}$ mbar) and at ~800 km ($3\times10^{-6}$ mbar). The retrieved HCN abundances vary dramatically during the 2012 to 2017 time period as well, showing close to 2 orders of magnitude difference in abundance at 1000 km. However, the change in HCN abundance does not appear to fully account for the variation in mesospheric temperatures over the $L_S\sim$34-89$^{\circ}$ period. These measurements provide additional insight into the variability of Titan's mesospheric composition and thermal structure following its 2009 vernal equinox, and motivate continued investigation of the origins of such rapid changes in Titan's atmosphere throughout its seasonal cycle., Comment: Published in the Planetary Science Journal. 25 pages, 11 figures, 1 table

We present best-fit values of porosity -- and the corresponding effective thermal inertiae -- determined from three different depths in Europa's near-subsurface (~1-20 cm). The porosity of the upper ~20 cm of Europa's subsurface varies between 75-50% ($\Gamma_{eff}\approx50-140$ J m$^{-2}$ K$^{-1}$ s$^{-1/2}$) on the leading hemisphere and 50-40% ($\Gamma_{eff}\approx140-180$ J m$^{-2}$ K$^{-1}$ s$^{-1/2}$) on the trailing hemisphere. Residual maps produced by comparison with these models reveal thermally anomalous features that cannot be reproduced by globally homogeneous porosity models. These regions are compared to Europa's surface terrain and known compositional variations. We find that some instances of warm thermal anomalies are co-located with known geographical or compositional features on both the leading and trailing hemisphere; cool temperature anomalies are well correlated with surfaces previously observed to contain pure, crystalline water ice and the expansive rays of Pwyll crater. Anomalous regions correspond to locations with subsurface properties different from those of our best-fit models, such as potentially elevated thermal inertia, decreased emissivity, or more porous regolith. We also find that ALMA observations at ~3 mm sound below the thermal skin depth of Europa (~10-15 cm) for a range of porosity values, and thus do not exhibit features indicative of diurnal variability or residuals similar to other frequency bands. Future observations of Europa at higher angular resolution may reveal additional locations of variable subsurface thermophysical properties, while those at other wavelengths will inform our understanding of the regolith compaction length and the effects of external processes on the shallow subsurface., Comment: Accepted for publication in the Planetary Science Journal on 01/31/2024. 34 pages, 10 Figures, 4 tables

Accurate modeling of warm and hot dense matter is challenging in part due to the multitude of excited states that must be considered. In thermal density functional theory, these excited states are averaged over to produce a single, averaged, thermal ground state. Here we present a variational framework and model that includes explicit excited states. In this framework an excited state is defined by a set of effective one-electron occupation factors and the corresponding energy is defined by the effective one-body energy with an exchange and correlation term. The variational framework is applied to an atom-in-plasma model (a generalization of the so-called average atom model). Comparisons with a density functional theory based average atom model generally reveal good agreement in the calculated pressure, but the new model also gives access to the excitation energies and charge state distributions.

We present a thermal observation of Callisto's leading hemisphere obtained using the Atacama Large Millimeter/submillimeter Array (ALMA) at 0.87 mm (343 GHz). The angular resolution achieved for this observation was $\sim$$0.16^{\prime\prime}$, which for Callisto at the time of this observation ($D\sim 1.05^{\prime\prime}$) was equivalent to $\sim$6 elements across the surface. Our disk-integrated brightness temperature of 116 $\pm$ 5 K (8.03 $\pm$ 0.40 Jy) is consistent with prior disk-integrated observations. Global surface properties were derived from the observation using a thermophysical model (de Kleer et al. 2021) constrained by spacecraft data. We find that models parameterized by two thermal inertia components more accurately fit the data than single thermal inertia models. Our best-fit global parameters adopt a lower thermal inertia of 15-50 $\text{J}\:\text{m}^{-2}\:\text{K}^{-1}\:\text{s}^{-1/2}$ and a higher thermal inertia component of 1200-2000 $\text{J}\:\text{m}^{-2}\:\text{K}^{-1}\:\text{s}^{-1/2}$, with retrieved millimeter emissivities of 0.89-0.91. We identify several thermally anomalous regions, including spots $\sim$3 K colder than model predictions co-located with the Valhalla impact basin and a complex of craters in the southern hemisphere; this indicates the presence of materials possessing either a higher thermal inertia or a lower emissivity. A warm region confined to the mid-latitudes in these leading hemisphere data may be indicative of regolith property changes due to exogenic sculpting., Comment: 13 pages, 7 figures

Accurate battery lifetime prediction is important for preventative maintenance, warranties, and improved cell design and manufacturing. However, manufacturing variability and usage-dependent degradation make life prediction challenging. Here, we investigate new features derived from capacity-voltage data in early life to predict the lifetime of cells cycled under widely varying charge rates, discharge rates, and depths of discharge. Features were extracted from regularly scheduled reference performance tests (i.e., low rate full cycles) during cycling. The early-life features capture a cell's state of health and the rate of change of component-level degradation modes, some of which correlate strongly with cell lifetime. Using a newly generated dataset from 225 nickel-manganese-cobalt/graphite Li-ion cells aged under a wide range of conditions, we demonstrate a lifetime prediction of in-distribution cells with 15.1% mean absolute percentage error using no more than the first 15% of data, for most cells. Further testing using a hierarchical Bayesian regression model shows improved performance on extrapolation, achieving 21.8% mean absolute percentage error for out-of-distribution cells. Our approach highlights the importance of using domain knowledge of lithium-ion battery degradation modes to inform feature engineering. Further, we provide the community with a new publicly available battery aging dataset with cells cycled beyond 80% of their rated capacity.

High-throughput experimentation enables efficient search space exploration for the discovery and optimization of new materials. However, large search spaces of, e.g., compositionally complex materials, require decreasing characterization times significantly. Here, an autonomous measurement algorithm was developed, which leverages active learning based on a Gaussian process model capable of iteratively scanning a materials library based on the highest uncertainty. The algorithm is applied to a four-point probe electrical resistance measurement device, frequently used to obtain indications for regions of interest in materials libraries. Ten materials libraries with different complexities of composition and property trends are analyzed to validate the model. By stopping the process before the entire library is characterized and predicting the remaining measurement areas, the measurement efficiency can be improved drastically. As robustness is essential for autonomous measurements, intrinsic outlier handling is built into the model and a dynamic stopping criterion based on the mean predicted covariance is proposed. A measurement time reduction of about 70-90% was observed while still ensuring an accuracy of above 90%.

Operators from various industries have been pushing the adoption of wireless sensing nodes for industrial monitoring, and such efforts have produced sizeable condition monitoring datasets that can be used to build diagnosis algorithms capable of warning maintenance engineers of impending failure or identifying current system health conditions. However, single operators may not have sufficiently large fleets of systems or component units to collect sufficient data to develop data-driven algorithms. Collecting a satisfactory quantity of fault patterns for safety-critical systems is particularly difficult due to the rarity of faults. Federated learning (FL) has emerged as a promising solution to leverage datasets from multiple operators to train a decentralized asset fault diagnosis model while maintaining data confidentiality. However, there are still considerable obstacles to overcome when it comes to optimizing the federation strategy without leaking sensitive data and addressing the issue of client dataset heterogeneity. This is particularly prevalent in fault diagnosis applications due to the high diversity of operating conditions and system configurations. To address these two challenges, we propose a novel clustering-based FL algorithm where clients are clustered for federating based on dataset similarity. To quantify dataset similarity between clients without explicitly sharing data, each client sets aside a local test dataset and evaluates the other clients' model prediction accuracy and uncertainty on this test dataset. Clients are then clustered for FL based on relative prediction accuracy and uncertainty.

Macroscopic strain experiments revealed that Si crystals traversed by parallel, channel-like nanopores functionalized with the muscle polymer polypyrrole exhibit large and reversible electrochemo-mechanical actuation in aqueous electrolytes. On the microscopical level this system still bears open questions, as to how the electrochemical expansion and contraction of PPy acts on to np-Si pore walls and how the collective motorics of the pore array emerges from the single-nanopore behavior. An analysis of in operando X-ray diffraction experiments with micromechanical finite element simulations, based on a 3D reconstruction of the nanoporous medium by TEM tomography, shows that the in-plane mechanical response is dominantly isotropic despite the anisotropic elasticity of the single crystalline host matrix. However, the structural anisotropy originating from the parallel alignment of the nanopores lead to significant differences between the in- and out-of-plane electromechanical response. This response is not describable by a simple 2D arrangement of parallel cylindrical channels. Rather, the simulations highlight that the dendritic shape of the Si pore walls, including pore connections between the main channels, cause complex, inhomogeneous stress-strain fields in the crystalline host. Time-dependent X-ray scattering on the dynamics of the actuator properties hint towards the importance of diffusion limitations, plastic deformation and creep in the nanoconfined polymer upon (counter-)ion adsorption and desorption, the very pore-scale processes causing the macroscopic electroactuation. From a more general perspective, our study demonstrates that the combination of TEM tomography-based micromechanical modeling with high-resolution X-ray scattering experiments provides a powerful approach for in operando analysis of nanoporous composites from the single-nanopore up to the porous-medium scale., Comment: Supplementary see ancillary file. 20 pages, 11 figures

The presence of phosphine (PH$_3$) in the atmosphere of Venus was reported by Greaves et al. (2021a), based on observations of the J=1-0 transition at 267 GHz using ground-based, millimeter-wave spectroscopy. This unexpected discovery presents a challenge for our understanding of Venus's atmosphere, and has led to a reappraisal of the possible sources and sinks of atmospheric phosphorous-bearing gases. Here we present results from a search for PH$_3$ on Venus using the GREAT instrument aboard the SOFIA aircraft, over three flights conducted in November 2021. Multiple PH$_3$ transitions were targeted at frequencies centered on 533 GHz and 1067 GHz, but no evidence for atmospheric PH$_3$ was detected. Through radiative transfer modeling, we derived a disk-averaged upper limit on the PH$_3$ abundance of 0.8 ppb in the altitude range 75-110 km, which is more stringent than previous ground-based studies., Comment: Accepted for publication in Geophysical Research Letters