Branched Oligo(ether) Side Chains: A Path to Enhanced Processability and Elevated Conductivity for Polymeric Semiconductors
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99 GENERAL AND MISCELLANEOUS↗
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Release dynamics of nanodiamonds created by laser-driven shock-compression of polyethylene terephthalate
Laser-driven dynamic compression experiments of plastic materials have found surprisingly fast formation of nanodiamonds (ND) via X-ray probing. This mechanism is relevant for planetary models, but could also open efficient synthesis routes for tailored NDs. We investigate the release mechanics of compressed NDs by molecular dynamics simulation of the isotropic expansion of finite size diamond from different P-T states. Analysing the structural integrity along different release paths via molecular dynamic simulations, we found substantial disintegration rates upon shock release, increasing with the on-Hugnoiot shock temperature. We also find that recrystallization can occur after the expansion and hence during the release, depending on subsequent cooling mechanisms. Our study suggests higher ND recovery rates from off-Hugoniot states, e.g., via double-shocks, due to faster cooling. Laser-driven shock compression experiments of polyethylene terephthalate (PET) samples with in situ X-ray probing at the simulated conditions found diamond signal that persists up to 11 ns after breakout. In the diffraction pattern, we observed peak shifts, which we attribute to thermal expansion of the NDs and thus a total release of pressure, which indicates the stability of the released NDs.
36 MATERIALS SCIENCE↗
Grain boundary widening controls siderite (FeCO3) replacement of limestone (CaCO3)
Abstract The microstructure of minerals and rocks can significantly alter reaction rates. This study focuses on identifying transport paths in low porosity rocks based on the hypothesis that grain boundary widening accelerates reactions in which one mineral is replaced by another (replacement reaction). We conducted a time series of replacement experiments of three limestones (CaCO 3 ) of different microstructures and solid impurity contents using FeCl 2 . Reacted solids were analyzed using chemical imaging, small angle X-ray and neutron scattering and Raman spectroscopy. In high porosity limestones replacement is reaction controlled and complete replacement was observed within 2 days. In low porosity limestones that contain 1–2% dolomite impurities and are dominated by grain boundaries, a reaction rim was observed whose width did not change with reaction time. Siderite (FeCO 3 ) nucleation was observed in all parts of the rock cores indicating the percolation of the solution throughout the complete core. Dolomite impurities were identified to act as nucleation sites leading to growth of crystals that exert force on the CaCO 3 grains. Widening of grain boundaries beyond what is expected based on dissolution and thermal grain expansion was observed in the low porosity marble containing dolomite impurities. This leads to a self-perpetuating cycle of grain boundary widening and reaction acceleration instead of reaction front propagation.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Searching for long-lived particles beyond the Standard Model at the Large Hadron Collider
Particles beyond the Standard Model (SM) can generically have lifetimes that are long compared to SM particles at the weak scale. When produced at experiments such as the Large Hadron Collider (LHC) at CERN, these long-lived particles (LLPs) can decay far from the interaction vertex of the primary proton–proton collision. Such LLP signatures are distinct from those of promptly decaying particles that are targeted by the majority of searches for new physics at the LHC, often requiring customized techniques to identify, for example, significantly displaced decay vertices, tracks with atypical properties, and short track segments. Given their non-standard nature, a comprehensive overview of LLP signatures at the LHC is beneficial to ensure that possible avenues of the discovery of new physics are not overlooked. Here we report on the joint work of a community of theorists and experimentalists with the ATLAS, CMS, and LHCb experiments—as well as those working on dedicated experiments such as MoEDAL, milliQan, MATHUSLA, CODEX-b, and FASER—to survey the current state of LLP searches at the LHC, and to chart a path for the development of LLP searches into the future, both in the upcoming Run 3 and at the high-luminosity LHC. The work is organized around the current and future potential capabilities of LHC experiments to generally discover new LLPs, and takes a signature-based approach to surveying classes of models that give rise to LLPs rather than emphasizing any particular theory motivation. We develop a set of simplified models; assess the coverage of current searches; document known, often unexpected backgrounds; explore the capabilities of proposed detector upgrades; provide recommendations for the presentation of search results; and look towards the newest frontiers, namely high-multiplicity 'dark showers', highlighting opportunities for expanding the LHC reach for these signals.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Combining Machine Learning and Comparative Effectiveness Methodology to Study Primary Care Pharmacotherapy Pathways for Veterans With Depression
Our objective is to demonstrate an innovative method combining machine learning with comparative effectiveness research techniques and to investigate a hitherto unstudied question about the effectiveness of common prescribing patterns. For Operation Enduring Freedom/Operation Iraqi Freedom veterans with major depressive disorder, we generate pharmacotherapy pathways (of antidepressants) using process mining and machine learning. We select the medication episodes that were started at subtherapeutic doses by the first assigned primary care physician and observe the paths that those medication episodes follow. Using 2-stage least squares, we test the effectiveness of starting at a low dose and staying low for longer versus ramping up fast while balancing observable and unobservable characteristics of patients and providers through instrumental variables. We leverage predetermined provider practice patterns as instruments. We collected outpatient pharmacy data for selective serotonin reuptake inhibitors and selective norepinephrine reuptake inhibitors, patient and provider characteristics (as control variables), and the instruments for our cohort. All data were extracted for the period between 2006 and 2020. There is a statistically significant positive effect (0.68, 95% CI 0.11–1.25) of “ramping up fast” on engagement in care. When we examine the effect of “ramping up slow”, we see an insignificant negative impact on engagement in care (−0.82, 95% CI −1.89 to 0.25). As expected, the probability of drop-out also seems to have a negative effect on engagement in care (−0.39, 95% CI −0.94 to 0.17). We further validate these results by testing with medication possession ratios calculated periodically as an alternative engagement in care metric. Our findings contradict the “Start low, go slow” adage, indicating that ramping up the dose of an antidepressant faster has a significantly positive effect on engagement in care for our population.
60 APPLIED LIFE SCIENCES↗
Convective flow effects on protein crystal growth
The long-term stability of the interferometric setup for the monitoring of protein morphologies has been improved. Growth or dissolution of a crystal on a 100 A scale can now be clearly distinguished from dimensional changes occurring within the optical path of the interferometer. This capability of simultaneously monitoring the local interfacial displacement at several widely-spaced positions on the crystal surface with high local depth resolution, has already yielded novel results. We found with lysozyme that (1) the normal growth rate is oscillatory, and (2) the mean growth step density is greater at the periphery of a facet than in its center. The repartitioning of Na(+) and Cl(-) ions between lysozyme solutions and crystals was studied for a wide range of crystallization conditions. A nucleation-growth-repartitioning model was developed to interpret the large body of data in a unified way. The results strongly suggests that (1) the ion to lysozyme ratio in the crystal depends mostly on kinetic rather than crystallographic parameters, and (2) lysozyme crystals possess a salt-rich core with a diameter on the order of 10 microns. The computational model for diffusive-convective transport in protein crystallization (see the First Report) has been applied to a realistic growth cell geometry, taking into account the findings of the above repartitioning studies. These results show that some elements of a moving boundary problem must be incorporated into the model in order to obtain a more realistic description. Our experimental setup for light scattering investigations of aggregation and nucleation in protein solutions has been extensively tested. Scattering intensity measurements with a true Rayleigh scatterer produced systematically increased forward scattering, indicating problems with glare. These have been resolved. Preliminary measurements with supersaturated lysozyme solutions revealed that the scatterers grow with time. Work has begun on a computer program for the unified evaluation of simultaneously obtained, multi-angle static and dynamic light scattering data.
Rosenberger, Franz↗
Observing Ice Phase Clouds and Precipitation with Millimeter- and Submillimeter-wave Radiometry during the IMPACTS field campaign: Algorithm Development for the Emerging Class of Microwave Radiometers
Millimeter- and submillimeter-wave (mmWave, submm) radiometers provide significant information content on atmospheric water in liquid, ice, and vapor phases. Recent sensors, such as the Global Precipitation Measurement (GPM) or the Temporal Experiment for Storms and Tropical Systems Technology – Demonstration (TEMPEST-D), use mmWave bands to improve estimation of ice-phase precipitation, and future missions, such as the Atmosphere Observing System (AOS), will extend to submm to provide additional information on thinner ice clouds, linking clouds and precipitation and therefore elucidating the links between weather, climate, and the water cycle. To support the expanded use of mmWave/submm radiometry and exploit the available information content on condensed water mass, we demonstrate ice and liquid water path retrievals for NASA Goddard Space Flight Center's airborne radiometers the Conical Scanning Millimeter-wave Imaging Radiometer (CoSMIR) and the Configurable Scanning Submillimeter-wave Instrument/Radiometer (CoSSIR, formerly the Compact Scanning Submillimeter Imaging Radiometer). The analysis is based on data collected during the Investigation of Microphysics and Precipitation for Atlantic Coast-Threatening Storms (IMPACTS) field campaign. A simulation study compares and contrasts retrievals for CoSMIR and CoSSIR, with CoSSIR demonstrating higher skill in ice retrievals, particularly for thin clouds, and the CoSMIR frequencies performing better for liquid. Additionally, we look at dual-polarized radiances observed by CoSMIR during the first two IMPACTS deployments to understand the polarization signatures induced by oriented hydrometeors. Results will be presented in the context of upcoming missions and sensors including AOS and the Ice Cloud Imager (ICI). We will describe the objectives for the expected first flight of the newly upgraded CoSSIR during the final IMPACTS deployment, and we will share novel science investigations we plan to undertake with CoSSIR's new capabilities. Popular Summary: Ice in clouds and falling snow is an important component of weather, climate, and water resources. To better use a new class of sensors that provide information on atmospheric ice, we developed an approach to measure ice clouds and falling snow using airborne data taken during the Investigation of Microphysics and Precipitation for Atlantic Coast-Threatening Storms (IMPACTS), a field campaign to study winter storms. We look at the results for two similar instruments to understand how those differences affect these measurements of clouds and snow, and we further investigate the information the sensors can provide on properties of the clouds and snow.
Ian S Adams↗
Observing Ice Phase Clouds and Precipitation with Millimeter- and Submillimeter-wave Radiometry during the IMPACTS field campaign: Algorithm Development for the Emerging Class of Microwave Radiometers
Millimeter- and submillimeter-wave (mmWave, submm) radiometers provide significant information content on atmospheric water in liquid, ice, and vapor phases. Recent sensors, such as the Global Precipitation Measurement (GPM) or the Temporal Experiment for Storms and Tropical Systems Technology – Demonstration (TEMPEST-D), use mmWave bands to improve estimation of ice-phase precipitation, and future missions, such as the Atmosphere Observing System (AOS), will extend to submm to provide additional information on thinner ice clouds, linking clouds and precipitation and therefore elucidating the links between weather, climate, and the water cycle. To support the expanded use of mmWave/submm radiometry and exploit the available information content on condensed water mass, we demonstrate ice and liquid water path retrievals for NASA Goddard Space Flight Center's airborne radiometers the Conical Scanning Millimeter-wave Imaging Radiometer (CoSMIR) and the Configurable Scanning Submillimeter-wave Instrument/Radiometer (CoSSIR, formerly the Compact Scanning Submillimeter Imaging Radiometer). The analysis is based on data collected during the Investigation of Microphysics and Precipitation for Atlantic Coast-Threatening Storms (IMPACTS) field campaign. A simulation study compares and contrasts retrievals for CoSMIR and CoSSIR, with CoSSIR demonstrating higher skill in ice retrievals, particularly for thin clouds, and the CoSMIR frequencies performing better for liquid. Additionally, we look at dual-polarized radiances observed by CoSMIR during the first two IMPACTS deployments to understand the polarization signatures induced by oriented hydrometeors. Results will be presented in the context of upcoming missions and sensors including AOS and the Ice Cloud Imager (ICI). We will describe the objectives for the expected first flight of the newly upgraded CoSSIR during the final IMPACTS deployment, and we will share novel science investigations we plan to undertake with CoSSIR's new capabilities. Popular Summary: Ice in clouds and falling snow is an important component of weather, climate, and water resources. To better use a new class of sensors that provide information on atmospheric ice, we developed an approach to measure ice clouds and falling snow using airborne data taken during the Investigation of Microphysics and Precipitation for Atlantic Coast-Threatening Storms (IMPACTS), a field campaign to study winter storms. We look at the results for two similar instruments to understand how those differences affect these measurements of clouds and snow, and we further investigate the information the sensors can provide on properties of the clouds and snow.
Ian S Adams↗
The Origins Space Telescope
The Universe has never been seen like this before. The window into the infrared opens only above Earth's atmosphere, and humanity has barely glimpsed outside. About half of the light emitted by stars, planets, and galaxies over the lifetime of the Universe emerges in the infrared. With an unparalleled sensitivity increase — up to a factor of 1,000 more than any previous or planned mission — the advance offered by the Origins Space Telescope (OST) is akin to that from the naked eye to humanity's first telescope, or from Galileo's first telescope to the first telescope in space. While key path-finding missions have glimpsed a rich infrared cosmos, extraordinary discovery space awaits; the time for a far-infrared revolution has begun.Are we alone or is life common in the Universe? OST will directly address this long-standing question by searching for signs of life in the atmospheres of potentially habitable terrestrial planets transiting M dwarf stars. How do planets become habitable? OST will trace the trail of cold water from the interstellar medium, through protoplanetary disks and into the outer reaches of our own Solar System. How do stars, galaxies, black holes and the elements of life form, from the cosmic dawn to today? With broad wavelength coverage and fast mapping speeds, OST will map millions of galaxies, simultaneously measuring star formation rates and black hole growth across cosmic time, peering deeper into the far reaches of the Universe than ever before.OST will be maintained at a temperature of 4 K, enabling its tremendous sensitivity gain, and will operate from 5 m to 600 m, encompassing the mid- and far-infrared. OST has two Mission Concepts: Concept 1 with a 9.1-m deployed off-axis primary, and Concept 2, described here, a non-deployed 5.9-m on-axis telescope with the equivalent collecting area of the James Webb Space Telescope (JWST). Concept 2 includes four instruments with capabilities for imaging (large surveys and pointed), spectroscopy (survey and high-resolution modes) and polarimetry, as well as an instrument for high-precision spectroscopy of transiting exoplanets. Concept 2 is optimized for maximum science return and minimal complexity, and offers fast mapping (approximately 60 arcseconds per second). We describe here the three key science themes for OST and the basic mission specifications.
Battersby, Cara↗