Physical Sciences (United States)

Abstract The International Mineralogical Association's approved amphibole nomenclature has been revised in order to simplify it, make it more consistent with divisions generally at 50%, define prefixes and modifiers more precisely and include new amphibole species discovered and named since 1978, when the previous scheme was approved. The same reference axes form the basis of the new scheme and most names are little changed but compound species names like tremolitic hornblende (now magnesiohornblende) are abolished and also crossite (now glaucophane or ferroglaucophane or magnesioriebeckite or riebeckite), tirodite (now manganocummingtonite) and dannemorite (now manganogrunerite). The 50% rule has been broken only to retain tremolite and actinolite as in the 1978 scheme so the sodic calcic amphibole range has therefore been expanded. Alkali amphiboles are now sodic amphiboles. The use of hyphens is defined. New amphibole names approved since 1978 include nyböite, leakeite, kornite, ungarettiite, sadanagaite and cannilloite. All abandoned names are listed. The formulae and source of the amphibole end member names are listed and procedures outlined to calculate Fe 3+ and Fe 2+ when not determined by analysis.

This paper reviews the theory of anisotropic superfluid phases and its application to the new A and B phases of liquid $^{3}\mathrm{He}$. It is tutorial in nature and advanced formal techniques are avoided; even the formalism of second quantization is not required. After an initial discussion of the Fermi-liquid theory of Landau and its application to the normal phase of liquid $^{3}\mathrm{He}$, the idea of instability against formation of Cooper pairs is introduced. The effective interaction in liquid $^{3}\mathrm{He}$ is considered, with emphasis on the spin-dependent interaction arising from virtual spin polarization of the medium ("spin fluctuation exchange"). Next, a self-contained discussion of the "weak-coupling" BCS theory as applied to anisotropic superfluids is given, with special attention to the "Ginzburg-Landau" region close to the transition temperature. Formulas are derived for the specific heat, spin susceptibility, normal density tensor, and static spin-dependent correlation properties of superfluids with both singlet and triplet pairing: In the triplet case the ideas of "spin superfluid velocity" and "spin superfluid density" are also introduced. After a preliminary comparison of the weak-coupling theory with experiment, it is shown that feedback effects due to the modification, by formation of Cooper pairs, of the effective interaction connected with spin fluctuation exchange can produce results which are qualitatively different from those of the weak-coupling theory. An attempt is made to reformulate recent graph-theoretical treatments of this phenomenon in a more elementary language, and considerations based on possible invariant forms of the free energy are also introduced. The properties of the so-called Anderson-Brinkman-Morel and Balian-Werthamer states, which are commonly identified with $^{3}\mathrm{He}$-A and B, respectively, are studied in detail. Next, the effects which tend to orient the Cooper pair wave function in a given experimental situation are discussed; in this context the form of the free energy terms arising from spatial variation of the wave function is explored. A semiphenomenological theory of the nuclear magnetic resonance properties is developed and applied in particular to the case of unsaturated cw resonance; the analogy with the Josephson effect is emphasized. The question of relaxation and linewidths is also briefly discussed. A partial account is given of the theory of finite-wavelength collective oscillations, with particular reference to first, second, and fourth sound and spin waves. The splitting of the A-normal transition in a magnetic field is considered, with special attention to the possibility it offers of testing theories of the "spin fluctuation" type. Finally, a brief assessment is made of the extent to which the current experimental data support the conventional identification of $^{3}\mathrm{He}$-A and B and the spin fluctuation theory, and some outstanding problems and possibilities are outlined. Subjects not discussed include "first-principles" theories of the effective interaction in $^{3}\mathrm{He}$ collective excitations in the "collisionless" regime, and the problem of ultrasonic absorption, "orbit waves," and the theory of the kinetic coefficients.

Abstract A new release of the Max Planck Institute for Meteorology Earth System Model version 1.2 (MPI‐ESM1.2) is presented. The development focused on correcting errors in and improving the physical processes representation, as well as improving the computational performance, versatility, and overall user friendliness. In addition to new radiation and aerosol parameterizations of the atmosphere, several relatively large, but partly compensating, coding errors in the model's cloud, convection, and turbulence parameterizations were corrected. The representation of land processes was refined by introducing a multilayer soil hydrology scheme, extending the land biogeochemistry to include the nitrogen cycle, replacing the soil and litter decomposition model and improving the representation of wildfires. The ocean biogeochemistry now represents cyanobacteria prognostically in order to capture the response of nitrogen fixation to changing climate conditions and further includes improved detritus settling and numerous other refinements. As something new, in addition to limiting drift and minimizing certain biases, the instrumental record warming was explicitly taken into account during the tuning process. To this end, a very high climate sensitivity of around 7 K caused by low‐level clouds in the tropics as found in an intermediate model version was addressed, as it was not deemed possible to match observed warming otherwise. As a result, the model has a climate sensitivity to a doubling of CO 2 over preindustrial conditions of 2.77 K, maintaining the previously identified highly nonlinear global mean response to increasing CO 2 forcing, which nonetheless can be represented by a simple two‐layer model.

ECHAM6, the sixth generation of the atmospheric general circulation model ECHAM, is described. Major changes with respect to its predecessor affect the representation of shortwave radiative transfer, the height of the model top. Minor changes have been made to model tuning and convective triggering. Several model configurations, differing in horizontal and vertical resolution, are compared. As horizontal resolution is increased beyond T63, the simulated climate improves but changes are incremental; major biases appear to be limited by the parameterization of small‐scale physical processes, such as clouds and convection. Higher vertical resolution in the middle atmosphere leads to a systematic reduction in temperature biases in the upper troposphere, and a better representation of the middle atmosphere and its modes of variability. ECHAM6 represents the present climate as well as, or better than, its predecessor. The most marked improvements are evident in the circulation of the extratropics. ECHAM6 continues to have a good representation of tropical variability. A number of biases, however, remain. These include a poor representation of low‐level clouds, systematic shifts in major precipitation features, biases in the partitioning of precipitation between land and sea (particularly in the tropics), and midlatitude jets that appear to be insufficiently poleward. The response of ECHAM6 to increasing concentrations of greenhouse gases is similar to that of ECHAM5. The equilibrium climate sensitivity of the mixed‐resolution (T63L95) configuration is between 2.9 and 3.4 K and is somewhat larger for the 47 level model. Cloud feedbacks and adjustments contribute positively to warming from increasing greenhouse gases.

A discussion of many of the recently implemented features of GAMESS (General Atomic and Molecular Electronic Structure System) and LibCChem (the C++ CPU/GPU library associated with GAMESS) is presented. These features include fragmentation methods such as the fragment molecular orbital, effective fragment potential and effective fragment molecular orbital methods, hybrid MPI/OpenMP approaches to Hartree-Fock, and resolution of the identity second order perturbation theory. Many new coupled cluster theory methods have been implemented in GAMESS, as have multiple levels of density functional/tight binding theory. The role of accelerators, especially graphical processing units, is discussed in the context of the new features of LibCChem, as it is the associated problem of power consumption as the power of computers increases dramatically. The process by which a complex program suite such as GAMESS is maintained and developed is considered. Future developments are briefly summarized.

All-solid-state batteries (ASSBs) have attracted enormous attention as one of the critical future technologies for safe and high energy batteries. With the emergence of several highly conductive solid electrolytes in recent years, the bottleneck is no longer Li-ion diffusion within the electrolyte. Instead, many ASSBs are limited by their low Coulombic efficiency, poor power performance, and short cycling life due to the high resistance at the interfaces within ASSBs. Because of the diverse chemical/physical/mechanical properties of various solid components in ASSBs as well as the nature of solid-solid contact, many types of interfaces are present in ASSBs. These include loose physical contact, grain boundaries, and chemical and electrochemical reactions to name a few. All of these contribute to increasing resistance at the interface. Here, we present the distinctive features of the typical interfaces and interphases in ASSBs and summarize the recent work on identifying, probing, understanding, and engineering them. We highlight the complicated, but important, characteristics of interphases, namely the composition, distribution, and electronic and ionic properties of the cathode-electrolyte and electrolyte-anode interfaces; understanding these properties is the key to designing a stable interface. In addition, conformal coatings to prevent side reactions and their selection criteria are reviewed. We emphasize the significant role of the mechanical behavior of the interfaces as well as the mechanical properties of all ASSB components, especially when the soft Li metal anode is used under constant stack pressure. Finally, we provide full-scale (energy, spatial, and temporal) characterization methods to explore, diagnose, and understand the dynamic and buried interfaces and interphases. Thorough and in-depth understanding on the complex interfaces and interphases is essential to make a practical high-energy ASSB.

Substantial new features have been implemented at the Ribosomal Database Project in response to the increased importance of high-throughput rRNA sequence analysis in microbial ecology and related disciplines. The most important changes include quality analysis, including chimera detection, for all available rRNA sequences and the introduction of myRDP Space, a new web component designed to help researchers place their own data in context with the RDP's data. In addition, new video tutorials describe how to use RDP features. Details about RDP data and analytical functions can be found at the RDP-II website (http://rdp.cme.msu.edu/).

The whole-genome duplication 80 million years ago of the common ancestor of salmonids (salmonid-specific fourth vertebrate whole-genome duplication, Ss4R) provides unique opportunities to learn about the evolutionary fate of a duplicated vertebrate genome in 70 extant lineages. Here we present a high-quality genome assembly for Atlantic salmon (Salmo salar), and show that large genomic reorganizations, coinciding with bursts of transposon-mediated repeat expansions, were crucial for the post-Ss4R rediploidization process. Comparisons of duplicate gene expression patterns across a wide range of tissues with orthologous genes from a pre-Ss4R outgroup unexpectedly demonstrate far more instances of neofunctionalization than subfunctionalization. Surprisingly, we find that genes that were retained as duplicates after the teleost-specific whole-genome duplication 320 million years ago were not more likely to be retained after the Ss4R, and that the duplicate retention was not influenced to a great extent by the nature of the predicted protein interactions of the gene products. Finally, we demonstrate that the Atlantic salmon assembly can serve as a reference sequence for the study of other salmonids for a range of purposes.

The oriented attachment of molecular clusters and nanoparticles in solution is now recognized as an important mechanism of crystal growth in many materials, yet the alignment process and attachment mechanism have not been established. We performed high-resolution transmission electron microscopy using a fluid cell to directly observe oriented attachment of iron oxyhydroxide nanoparticles. The particles undergo continuous rotation and interaction until they find a perfect lattice match. A sudden jump to contact then occurs over less than 1 nanometer, followed by lateral atom-by-atom addition initiated at the contact point. Interface elimination proceeds at a rate consistent with the curvature dependence of the Gibbs free energy. Measured translational and rotational accelerations show that strong, highly direction-specific interactions drive crystal growth via oriented attachment.

Historical reanalyses that span more than a century are needed for a wide range of studies, from understanding large‐scale climate trends to diagnosing the impacts of individual historical extreme weather events. The Twentieth Century Reanalysis (20CR) Project is an effort to fill this need. It is supported by the National Oceanic and Atmospheric Administration (NOAA), the Cooperative Institute for Research in Environmental Sciences (CIRES), and the U.S. Department of Energy (DOE), and is facilitated by collaboration with the international Atmospheric Circulation Reconstructions over the Earth initiative. 20CR is the first ensemble of sub‐daily global atmospheric conditions spanning over 100 years. This provides a best estimate of the weather at any given place and time as well as an estimate of its confidence and uncertainty. While extremely useful, version 2c of this dataset (20CRv2c) has several significant issues, including inaccurate estimates of confidence and a global sea level pressure bias in the mid‐19th century. These and other issues can reduce its effectiveness for studies at many spatial and temporal scales. Therefore, the 20CR system underwent a series of developments to generate a significant new version of the reanalysis. The version 3 system (NOAA‐CIRES‐DOE 20CRv3) uses upgraded data assimilation methods including an adaptive inflation algorithm; has a newer, higher‐resolution forecast model that specifies dry air mass; and assimilates a larger set of pressure observations. These changes have improved the ensemble‐based estimates of confidence, removed spin‐up effects in the precipitation fields, and diminished the sea‐level pressure bias. Other improvements include more accurate representations of storm intensity, smaller errors, and large‐scale reductions in model bias. The 20CRv3 system is comprehensively reviewed, focusing on the aspects that have ameliorated issues in 20CRv2c. Despite the many improvements, some challenges remain, including a systematic bias in tropical precipitation and time‐varying biases in southern high‐latitude pressure fields.

A new family of materials comprised of cellulose, cellulose nanomaterials (CNMs), having properties and functionalities distinct from molecular cellulose and wood pulp, is being developed for applications that were once thought impossible for cellulosic materials. Commercialization, paralleled by research in this field, is fueled by the unique combination of characteristics, such as high on-axis stiffness, sustainability, scalability, and mechanical reinforcement of a wide variety of materials, leading to their utility across a broad spectrum of high-performance material applications. However, with this exponential growth in interest/activity, the development of measurement protocols necessary for consistent, reliable and accurate materials characterization has been outpaced. These protocols, developed in the broader research community, are critical for the advancement in understanding, process optimization, and utilization of CNMs in materials development. This review establishes detailed best practices, methods and techniques for characterizing CNM particle morphology, surface chemistry, surface charge, purity, crystallinity, rheological properties, mechanical properties, and toxicity for two distinct forms of CNMs: cellulose nanocrystals and cellulose nanofibrils.

Current upper bounds on the neutron electric dipole moment constrain the physically observable quantum chromodynamic (QCD) vacuum angle $|\overline{\ensuremath{\theta}}|\ensuremath{\lesssim}{10}^{\ensuremath{-}11}$. Since QCD explains a great deal of experimental data from the $100\phantom{\rule{0.3em}{0ex}}\mathrm{MeV}$ to the TeV scale, it is desirable to explain this smallness of $|\overline{\ensuremath{\theta}}|$ in the QCD framework; this is the strong $CP$ problem. There now exist two plausible solutions to this problem, one of which leads to the existence of a very light axion. The axion decay constant window, ${10}^{9}\ensuremath{\lesssim}{F}_{a}\ensuremath{\lesssim}{10}^{12}\phantom{\rule{0.3em}{0ex}}\mathrm{GeV}$ for an $O(1)$ initial misalignment angle ${\ensuremath{\theta}}_{1}$, has been obtained from astrophysical and cosmological data. For ${F}_{a}\ensuremath{\gtrsim}{10}^{12}\phantom{\rule{0.3em}{0ex}}\mathrm{GeV}$ with ${\ensuremath{\theta}}_{1}<O(1)$, axions may constitute a significant fraction of the dark matter of the universe. The supersymmetrized axion solution of the strong $CP$ problem introduces its superpartner the axino, which might have affected the evolution of the Universe significantly. The very light axion (theory, supersymmetrization, and models) using recent particle, astrophysical, and cosmological data, and present prospects for its discovery is reviewed here.

By coupling a single-electron transistor to a high-quality factor, 19.7-megahertz nanomechanical resonator, we demonstrate position detection approaching that set by the Heisenberg uncertainty principle limit. At millikelvin temperatures, position resolution a factor of 4.3 above the quantum limit is achieved and demonstrates the near-ideal performance of the single-electron transistor as a linear amplifier. We have observed the resonator's thermal motion at temperatures as low as 56 millikelvin, with quantum occupation factors of NTH = 58. The implications of this experiment reach from the ultimate limits of force microscopy to qubit readout for quantum information devices.

New sequencing technology has dramatically altered the landscape of whole-genome sequencing, allowing scientists to initiate numerous projects to decode the genomes of previously unsequenced organisms. The lowest-cost technology can generate deep coverage of most species, including mammals, in just a few days. The sequence data generated by one of these projects consist of millions or billions of short DNA sequences (reads) that range from 50 to 150 nt in length. These sequences must then be assembled de novo before most genome analyses can begin. Unfortunately, genome assembly remains a very difficult problem, made more difficult by shorter reads and unreliable long-range linking information. In this study, we evaluated several of the leading de novo assembly algorithms on four different short-read data sets, all generated by Illumina sequencers. Our results describe the relative performance of the different assemblers as well as other significant differences in assembly difficulty that appear to be inherent in the genomes themselves. Three overarching conclusions are apparent: first, that data quality, rather than the assembler itself, has a dramatic effect on the quality of an assembled genome; second, that the degree of contiguity of an assembly varies enormously among different assemblers and different genomes; and third, that the correctness of an assembly also varies widely and is not well correlated with statistics on contiguity. To enable others to replicate our results, all of our data and methods are freely available, as are all assemblers used in this study.

Abstract The pre-cold-frontal low-level jet within oceanic extratropical cyclones represents the lower-tropospheric component of a deeper corridor of concentrated water vapor transport in the cyclone warm sector. These corridors are referred to as atmospheric rivers (ARs) because they are narrow relative to their length scale and are responsible for most of the poleward water vapor transport at midlatitudes. This paper investigates landfalling ARs along adjacent north- and south-coast regions of western North America. Special Sensor Microwave Imager (SSM/I) satellite observations of long, narrow plumes of enhanced integrated water vapor (IWV) were used to detect ARs just offshore over the eastern Pacific from 1997 to 2005. The north coast experienced 301 AR days, while the south coast had only 115. Most ARs occurred during the warm season in the north and cool season in the south, despite the fact that the cool season is climatologically wettest for both regions. Composite SSM/I IWV analyses showed landfalling wintertime ARs extending northeastward from the tropical eastern Pacific, whereas the summertime composites were zonally oriented and, thus, did not originate from this region of the tropics. Companion SSM/I composites of daily rainfall showed significant orographic enhancement during the landfall of winter (but not summer) ARs. The NCEP–NCAR global reanalysis dataset and regional precipitation networks were used to assess composite synoptic characteristics and overland impacts of landfalling ARs. The ARs possess strong vertically integrated horizontal water vapor fluxes that, on average, impinge on the West Coast in the pre-cold-frontal environment in winter and post-cold-frontal environment in summer. Even though the IWV in the ARs is greater in summer, the vapor flux is stronger in winter due to much stronger flows associated with more intense storms. The landfall of ARs in winter and north-coast summer coincides with anomalous warmth, a trough offshore, and ridging over the Intermountain West, whereas the south-coast summer ARs coincide with relatively cold conditions and a near-coast trough. ARs have a much more profound impact on near-coast precipitation in winter than summer, because the terrain-normal vapor flux is stronger and the air more nearly saturated in winter. During winter, ARs produce roughly twice as much precipitation as all storms. In addition, wintertime ARs with the largest SSM/I IWV are tied to more intense storms with stronger flows and vapor fluxes, and more precipitation. ARs generally increase snow water equivalent (SWE) in autumn/winter and decrease SWE in spring. On average, wintertime SWE exhibits normal gains during north-coast AR storms and above-normal gains during the south-coast AR storms. The north-coast sites are mostly lower in altitude, where warmer-than-normal conditions more frequently yield rain. During those events when heavy rain from a warm AR storm falls on a preexisting snowpack, flooding is more likely to occur.

) have recently emerged as novel active materials for photovoltaic applications with power conversion efficiency over 22%. Conventional perovskite solar cells (PSCs); however, suffer the issue that lead is toxic to the environment and organisms for a long time and is hard to excrete from the body. Therefore, it is imperative to find environmentally-friendly metal ions to replace lead for the further development of PSCs. Previous work has demonstrated that Sn, Ge, Cu, Bi, and Sb ions could be used as alternative ions in perovskite configurations to form a new environmentally-friendly lead-free perovskite structure. Here, we review recent progress on lead-free PSCs in terms of the theoretical insight and experimental explorations of the crystal structure of lead-free perovskite, thin film deposition, and device performance. We also discuss the importance of obtaining further understanding of the fundamental properties of lead-free hybrid perovskites, especially those related to photophysics.

The formation of amyloid fibrils by the intrinsically disordered protein α-synuclein is a hallmark of Parkinson disease. To characterize the microscopic steps in the mechanism of aggregation of this protein we have used in vitro aggregation assays in the presence of preformed seed fibrils to determine the molecular rate constant of fibril elongation under a range of different conditions. We show that α-synuclein amyloid fibrils grow by monomer and not oligomer addition and are subject to higher-order assembly processes that decrease their capacity to grow. We also find that at neutral pH under quiescent conditions homogeneous primary nucleation and secondary processes, such as fragmentation and surface-assisted nucleation, which can lead to proliferation of the total number of aggregates, are undetectable. At pH values below 6, however, the rate of secondary nucleation increases dramatically, leading to a completely different balance between the nucleation and growth of aggregates. Thus, at mildly acidic pH values, such as those, for example, that are present in some intracellular locations, including endosomes and lysosomes, multiplication of aggregates is much faster than at normal physiological pH values, largely as a consequence of much more rapid secondary nucleation. These findings provide new insights into possible mechanisms of α-synuclein aggregation and aggregate spreading in the context of Parkinson disease.

The constant-pressure, constant-temperature (NPT) molecular dynamics approach is re-examined from the viewpoint of deriving a new measure-preserving reversible geometric integrator for the equations of motion. The underlying concepts of non-Hamiltonian phase-space analysis, measure-preserving integrators and the symplectic property for Hamiltonian systems are briefly reviewed. In addition, current measure-preserving schemes for the constant-volume, constant-temperature ensemble are also reviewed. A new geometric integrator for the NPT method is presented, is shown to preserve the correct phase-space volume element and is demonstrated to perform well in realistic examples. Finally, a multiple time-step version of the integrator is presented for treating systems with motion on several time scales.

Quantum computing hardware technologies have advanced during the past two decades, with the goal of building systems that can solve problems that are intractable on classical computers. The ability to realize large-scale systems depends on major advances in materials science, materials engineering, and new fabrication techniques. We identify key materials challenges that currently limit progress in five quantum computing hardware platforms, propose how to tackle these problems, and discuss some new areas for exploration. Addressing these materials challenges will require scientists and engineers to work together to create new, interdisciplinary approaches beyond the current boundaries of the quantum computing field.

During a development stage global climate models have their properties adjusted or tuned in various ways to best match the known state of the Earth's climate system. These desired properties are observables, such as the radiation balance at the top of the atmosphere, the global mean temperature, sea ice, clouds and wind fields. The tuning is typically performed by adjusting uncertain, or even non‐observable, parameters related to processes not explicitly represented at the model grid resolution. The practice of climate model tuning has seen an increasing level of attention because key model properties, such as climate sensitivity, have been shown to depend on frequently used tuning parameters. Here we provide insights into how climate model tuning is practically done in the case of closing the radiation balance and adjusting the global mean temperature for the Max Planck Institute Earth System Model (MPI‐ESM). We demonstrate that considerable ambiguity exists in the choice of parameters, and present and compare three alternatively tuned, yet plausible configurations of the climate model. The impacts of parameter tuning on climate sensitivity was less than anticipated.