Posner molecules: From atomic structure to nuclear spins

We investigate "Posner molecules", calcium phosphate clusters with chemical formula Ca$_9$(PO$_4$)$_6$. Originally identified in hydroxyapatite, Posner molecules have also been observed as free-floating molecules $in$ $vitro$. The formation and aggregation of Posner molecules have important implications for bone growth, and may also play a role in other biological processes such as the modulation of calcium and phosphate ion concentrations within the mitochondrial matrix. In this work, we use a first-principles computational methodology to study the structure of Posner molecules, their vibrational spectra, their interactions with other cations, and the process of pairwise bonding. Additionally, we show that the Posner molecule provides an ideal environment for the six constituent $^{31}\text{P}$ nuclear spins to obtain very long spin coherence times. $In$ $vitro$, the spins could provide a platform for liquid-state nuclear magnetic resonance quantum computation. $In$ $vivo$, the spins may have medical imaging applications. The spins have also been suggested as "neural qubits" in a proposed mechanism for quantum processing in the brain.Comment: 8 pages, 6 figure

High-fidelity simulation of an ultrasonic standing-wave thermoacoustic engine with bulk viscosity effects

We have carried out boundary-layer-resolved, unstructured fully-compressible Navier--Stokes simulations of an ultrasonic standing-wave thermoacoustic engine (TAE) model. The model is constructed as a quarter-wavelength engine, approximately 4 mm by 4 mm in size and operating at 25 kHz, and comprises a thermoacoustic stack and a coin-shaped cavity, a design inspired by Flitcroft and Symko (2013). Thermal and viscous boundary layers (order of 10 $\mathrm{\mu}$m) are resolved. Vibrational and rotational molecular relaxation are modeled with an effective bulk viscosity coefficient modifying the viscous stress tensor. The effective bulk viscosity coefficient is estimated from the difference between theoretical and semi-empirical attenuation curves. Contributions to the effective bulk viscosity coefficient can be identified as from vibrational and rotational molecular relaxation. The inclusion of the coefficient captures acoustic absorption from infrasonic ($\sim$10 Hz) to ultrasonic ($\sim$100 kHz) frequencies. The value of bulk viscosity depends on pressure, temperature, and frequency, as well as the relative humidity of the working fluid. Simulations of the TAE are carried out to the limit cycle, with growth rates and limit-cycle amplitudes varying non-monotonically with the magnitude of bulk viscosity, reaching a maximum for a relative humidity level of 5%. A corresponding linear model with minor losses was developed; the linear model overpredicts transient growth rate but gives an accurate estimate of limit cycle behavior. An improved understanding of thermoacoustic energy conversion in the ultrasonic regime based on a high-fidelity computational framework will help to further improve the power density advantages of small-scale thermoacoustic engines.Comment: 55th AIAA Aerospace Sciences Meeting, AIAA SciTech, 201

Non-Iterative Characteristics Analysis for High-Pressure Ramp Loading

In the canonical ramp compression experiment, a smoothly-increasing load is applied to the surface of the sample, and the particle velocity history is measured at two or more different distances into the sample, at interfaces where the surface of the sample can be probed. The velocity histories are used to deduce a stress-density relation, usually using iterative Lagrangian analysis to account for the perturbing effect of the impedance mismatch at the interface. In that technique, a stress- density relation is assumed in order to correct for the perturbation, and is adjusted until it becomes consistent with the deduced stress-density relation. This process is subject to the usual difficulties of nonlinear optimization, such as the existence of local minima (sensitivity to the initial guess), possible failure to converge, and relatively large computational effort. We show that, by considering the interaction of successive characteristics reaching the interfaces, the stress-density relation can be deduced directly by recursion rather than iteration. This calculation is orders of magnitude faster than iterative analysis, and does not require an initial guess. Direct recursion may be less suitable for very noisy data, but it was robust when applied to trial data. The stress-density relation deduced was identical to the result from iterative Lagrangian analysis

Soft computing for intelligent data analysis

Intelligent data analysis (IDA) is an interdisciplinary study concerned with the effective analysis of data. The paper briefly looks at some of the key issues in intelligent data analysis, discusses the opportunities for soft computing in this context, and presents several IDA case studies in which soft computing has played key roles. These studies are all concerned with complex real-world problem solving, including consistency checking between mass spectral data with proposed chemical structures, screening for glaucoma and other eye diseases, forecasting of visual field deterioration, and diagnosis in an oil refinery involving multivariate time series. Bayesian networks, evolutionary computation, neural networks, and machine learning in general are some of those soft computing techniques effectively used in these studies

Sds22 regulates aurora B activity and microtubule-kinetochore interactions at mitosis

Sds22 defines protein phosphatase 1 location and function at kinetochores and subsequent activity of aurora B in mitosis

Origin and significance of 'dispersed facies' basal ice: Svínafellsjökull, Iceland

Dispersed facies basal ice - massive (i.e. structureless) ice with dispersed debris aggregates - is present at the margins of many glaciers and, as a product of internal glacial processes, has the potential to provide important information about the mechanisms of glacier flow and the nature of the subglacial environment. The origin of dispersed facies is poorly understood, with several hypotheses having been advanced for its formation, and there is disagreement as to whether it is largely a sedimentary or a tectonic feature. We test these established hypotheses at the temperate glacier Svfnafellsjokull, Iceland, and find that none fully account for dispersed facies characteristics at this location. Instead, dispersed facies physical, sedimentological and stable-isotope (5180, 8D) characteristics favour a predominantly tectonic origin that we suggest comprises the regelation and straininduced metamorphism of debris-rich basal ice that has been entrained into an englacial position by tectonic processes operating at the base of an icefall. Further thickening of the resultant dispersed facies may also occur tectonically as a result of ice flow against the reverse bed slope of a terminal overdeepening. Lack of efficient subglacial drainage in the region of the overdeepening may limit basal melting and thus favour basal ice preservation, including the preservation of dispersed facies. Despite the relatively low sediment content of dispersed facies (~1.6% by volume), its thickness (up to 25 m) and ubiquity at Svfnafellsjokull results in a significant contribution to annual sediment discharge (1635-3270 m3 a"1) that is ~6.5 times that contributed by debris-rich stratified facies basal ice

Enhancing Practice and Achievement in Introductory Programming With a Robot Olympics

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Systematic derivation of a rotationally covariant extension of the 2-dimensional Newell-Whitehead-Segel equation

An extension of the Newell-Whitehead-Segel amplitude equation covariant under abritrary rotations is derived systematically by the renormalization group method.Comment: 8 pages, to appear in Phys. Rev. Letters, March 18, 199

M-Dwarf Fast Rotators and the Detection of Relatively Young Multiple M-Star Systems

We have searched the Kepler light curves of ~3900 M-star targets for evidence of periodicities that indicate, by means of the effects of starspots, rapid stellar rotation. Several analysis techniques, including Fourier transforms, inspection of folded light curves, 'sonograms', and phase tracking of individual modulation cycles, were applied in order to distinguish the periodicities due to rapid rotation from those due to stellar pulsations, eclipsing binaries, or transiting planets. We find 178 Kepler M-star targets with rotation periods, P_rot, of < 2 days, and 110 with P_rot < 1 day. Some 30 of the 178 systems exhibit two or more independent short periods within the same Kepler photometric aperture, while several have three or more short periods. Adaptive optics imaging and modeling of the Kepler pixel response function for a subset of our sample support the conclusion that the targets with multiple periods are highly likely to be relatively young physical binary, triple, and even quadruple M star systems. We explore in detail the one object with four incommensurate periods all less than 1.2 days, and show that two of the periods arise from one of a close pair of stars, while the other two arise from the second star, which itself is probably a visual binary. If most of these M-star systems with multiple periods turn out to be bound M stars, this could prove a valuable way of discovering young hierarchical M-star systems; the same approach may also be applicable to G and K stars. The ~5% occurrence rate of rapid rotation among the ~3900 M star targets is consistent with spin evolution models that include an initial contraction phase followed by magnetic braking, wherein a typical M star can spend several hundred Myr before spinning down to periods longer than 2 days.Comment: 17 pages, 12 figures, 2 tables; accepted for publication in The Astrophysical Journa