Shock Deformation in Zircon, a Comparison of Results from Shock-Reverberation and Single-Shock Experiments

The utility of the mineral zircon, ZrSiO4, as a shock-metamorphic geobarometer and geochronometer, has been steadily growing within the planetary science community. Zircon is an accessory phase found in many terrestrial rock types, lunar samples, lunar meteorites, martian meteorites and various other achondrites. Because zircon is refractory and has a high closure temperature for Pb diffusion, it has been used to determine the ages of some of the oldest material on Earth and elsewhere in the Solar System. Furthermore, major (O) and trace-element (REE, Ti, Hf) abundances and isotope compositions of zircon help characterize the petrogenetic environments and sources from which they crystallized. The response of zircon to impact-induced shock deformation is predominantly crystallographic, including dislocation creep and the formation of planar and sub-planar, low-angle grain boundaries; the formation of mechanical {112} twins; transformation to the high pressure polymorph reidite; the development of polycrystalline microtextures; and dissociation to the oxide constituents SiO2 and ZrO2. Shock microstructures can also variably affect the U- Pb isotope systematics of zircon and, in some instances, be used to constrain the impact age. While numerous studies have characterized shock deformation in zircon recovered from a variety of terrestrial impact craters and ejecta deposits and Apollo samples, experimental studies of shock deformation in zircon are limited to a handful of examples in the literature. In addition, the formation conditions (e.g., P, T) of various shock microstructures, such as planar-deformation bands, twins, and reidite lamellae, remain poorly con-strained. Furthermore, previous shocked-zircon experimental charges have not been analyzed using modern analytical equipment. This study will therefore under-take an new set of zircon shock experiments, which will then be microstructurally characterized using state-of-the-art instrumentation within the Astromaterials Research and Exploration Science Division (ARES), NASA Johnson Space Center

Atomic kinetic energy, momentum distribution and structure of solid neon at zero-temperature

We report on the calculation of the ground-state atomic kinetic energy, $E_{k}$, and momentum distribution of solid Ne by means of the diffusion Monte Carlo method and Aziz HFD-B pair potential. This approach is shown to perform notably for this crystal since we obtain very good agreement with respect to experimental thermodynamic data. Additionally, we study the structural properties of solid Ne at densities near the equilibrium by estimating the radial pair-distribution function, Lindemann's ratio and atomic density profile around the positions of the perfect crystalline lattice. Our value for $E_{k}$ at the equilibrium density is $41.51(6)$ K, which agrees perfectly with the recent prediction made by Timms {\it et al.}, $41(2)$ K, based on their deep-inelastic neutron scattering experiments carried out over the temperature range $4 - 20$ K, and also with previous path integral Monte Carlo results obtained with the Lennard-Jones and Aziz HFD-C2 atomic pairwise interactions. The one-body density function of solid Ne is calculated accurately and found to fit perfectly, within statistical uncertainty, to a Gaussian curve. Furthermore, we analyze the degree of anharmonicity of solid Ne by calculating some of its microscopic ground-state properties within traditional harmonic approaches. We provide insightful comparison to solid $^4$He in terms of the Debye model, in order to size the relevance of anharmonic effects in Ne.Comment: 20 pages, 7 figures. To be published in Physical Review

Spherical harmonic based noise rejection and neuronal sampling with multi-axis OPMs

In this study we explore the interference rejection and spatial sampling properties of multi-axis Optically Pumped Magnetometer (OPM) data. We use both vector spherical harmonics and eigenspectra to quantify how well an array can separate neuronal signal from environmental interference while adequately sampling the entire cortex. We found that triaxial OPMs have superb noise rejection properties allowing for very high orders of interference (L=6) to be accounted for while minimally affecting the neural space (2dB attenuation for a 60-sensor triaxial system). We show that at least 11th order (143 spatial degrees of freedom) irregular solid harmonics or 95 eigenvectors of the lead field are needed to model the neural space for OPM data (regardless of number of axes measured). This can be adequately sampled with 75-100 equidistant triaxial sensors (225-300 channels) or 200 equidistant radial channels. In other words, ordering the same number of channels in triaxial (rather than purely radial) configuration may give significant advantages not only in terms of external noise rejection but also by minimizing cost, weight and cross-talk

Dynamic Bayesian belief network to model the development of walking and cycling schemes

This paper aims to describe a model which represents the formulation of decision-making processes (over a number of years) affecting the step-changes of walking and cycling (WaC) schemes. These processes can be seen as being driven by a number of causal factors, many of which are associated with the attitudes of a variety of factors, in terms of both determining whether any scheme will be implemented and, if it is implemented, the extent to which it is used. The outputs of the model are pathways as to how the future might unfold (in terms of a number of future time steps) with respect to specific pedestrian and cyclist schemes. The transitions of the decision making processes are formulated using a qualitative simulation method, which describes the step-changes of the WaC scheme development. In this article a Bayesian belief network (BBN) theory is extended to model the influence between and within factors in the dynamic decision making process

High-dose vitamin D(3) during intensive-phase antimicrobial treatment of pulmonary tuberculosis: a double-blind randomised controlled trial.

BACKGROUND: Vitamin D was used to treat tuberculosis in the pre-antibiotic era, and its metabolites induce antimycobacterial immunity in vitro. Clinical trials investigating the effect of adjunctive vitamin D on sputum culture conversion are absent. METHODS: We undertook a multicentre randomised controlled trial of adjunctive vitamin D in adults with sputum smear-positive pulmonary tuberculosis in London, UK. 146 patients were allocated to receive 2·5 mg vitamin D(3) or placebo at baseline and 14, 28, and 42 days after starting standard tuberculosis treatment. The primary endpoint was time from initiation of antimicrobial treatment to sputum culture conversion. Patients were genotyped for TaqI and FokI polymorphisms of the vitamin D receptor, and interaction analyses were done to assess the influence of the vitamin D receptor genotype on response to vitamin D(3). This trial is registered with ClinicalTrials.gov number NCT00419068. FINDINGS: 126 patients were included in the primary efficacy analysis (62 assigned to intervention, 64 assigned to placebo). Median time to sputum culture conversion was 36·0 days in the intervention group and 43·5 days in the placebo group (adjusted hazard ratio 1·39, 95% CI 0·90-2·16; p=0.14). TaqI genotype modified the effect of vitamin D supplementation on time to sputum culture conversion (p(interaction)=0·03), with enhanced response seen only in patients with the tt genotype (8·09, 95% CI 1·36-48·01; p=0·02). FokI genotype did not modify the effect of vitamin D supplementation (p(interaction)=0·85). Mean serum 25-hydroxyvitamin D concentration at 56 days was 101·4 nmol/L in the intervention group and 22·8 nmol/L in the placebo group (95% CI for difference 68·6-88·2; p<0·0001). INTERPRETATION: Administration of four doses of 2·5 mg vitamin D(3) increased serum 25-hydroxyvitamin D concentrations in patients receiving intensive-phase treatment for pulmonary tuberculosis. Vitamin D did not significantly affect time to sputum culture conversion in the whole study population, but it did significantly hasten sputum culture conversion in participants with the tt genotype of the TaqI vitamin D receptor polymorphism. FUNDING: British Lung Foundation

Vertical hydraulic conductivity of a clayey-silt aquitard: accelerated fluid flow in a centrifuge permeameter compared with in situ conditions

This discussion paper is a preprint. It has been under review for the journal Hydrology and Earth System Sciences (HESS). The revised manuscript was not accepted.Evaluating the possibility of leakage through low permeability geological strata is critically important for sustainable water supplies, extraction of fuels from strata such as coal beds, and confinement of waste within the earth. Characterizing low or negligible flow rates and transport of solutes can require impractically long periods of field or laboratory testing, but is necessary for evaluations over regional areas and over multi-decadal timescales. The current work reports a custom designed centrifuge permeameter (CP) system, which can provide relatively rapid and reliable hydraulic conductivity (K) measurement compared to column permeameter tests at standard gravity (1g). Linear fluid velocity through a low K porous sample is linearly related to g-level during a CP flight unless consolidation or geochemical reactions occur. The CP module is designed to fit within a standard 2 m diameter, geotechnical centrifuge with a capacity for sample dimensions of 30 to 100 mm diameter and 30 to 200 mm in length. At maximum RPM the resultant centrifugal force is equivalent to 550g at base of sample or a total stress of ~2 MPa. K is calculated by measuring influent and effluent volumes. A custom designed mounting system allows minimal disturbance of drill core samples and a centrifugal force that represents realistic in situ stress conditions is applied. Formation fluids were used as influent to limit any shrink-swell phenomena which may alter the resultant K value. Vertical hydraulic conductivity (Kv) results from CP testing of core from the sites in the same clayey silt formation varied (10−7 to 10−9 m s−1, n = 14) but higher than 1g column permeameter tests of adjacent core using deionized water (10−9 to 10−11 m s−1, n = 7). Results at one site were similar to in situ Kv values (3 × 10−9 m s−1) from pore pressure responses within a 30 m clayey sequence in a homogenous area of the formation. Kv sensitivity to sample heterogeneity was observed, and anomalous flow via preferential pathways could be readily identified. Results demonstrate the utility of centrifuge testing for measuring minimum K values that can contribute to assessments of geological formations at large scale. The importance of using realistic stress conditions and influent geochemistry during hydraulic testing is also demonstrated.Australian Research CouncilNational Water Commissio

Kinetic energy of solid neon by Monte Carlo with improved Trotter- and finite-size extrapolation

The kinetic energy of solid neon is calculated by a path-integral Monte Carlo approach with a refined Trotter- and finite-size extrapolation. These accurate data present significant quantum effects up to temperature T=20 K. They confirm previous simulations and are consistent with recent experiments.Comment: Text and figures revised for minor corrections (4 pages, 3 figures included by psfig

Phase Heritage: Deciphering Evidence of Pre-Existing Phases via Inherited Crystallographic Orientations

The concept of 'phase heritage' (e.g., Timms et al., 2017a) involves microstructural recognition of the former presence of a phase that has since transformed to another via evidence encoded in crystallographic orientations. Phase heritage relies on the phenomenon that newly grown (daughter) phases nucleate with particular crystallographic orientation relationships with the preceding (parent) phase. This phenomenon is common for displacive (i.e., shear or martensitic) transformations, well documented in the metals and ceramics literature, but is relatively uncommon in geosciences. This presentation outlines the concepts behind this approach, showcases results from software for automated analysis of EBSD data, and illustrates examples of polymorphic and dissociation phase transformations in the ZrSiO4-ZrO2-SiO2 system, which has particularly useful applications for 'extreme thermobarometry' in impact environments (Timms et al., 2017a)

Lithium-ion battery degradation: how to model it

Predicting lithium-ion battery degradation is worth billions to the global automotive, aviation and energy storage industries, to improve performance and safety and reduce warranty liabilities. However, very few published models of battery degradation explicitly consider the interactions between more than two degradation mechanisms, and none do so within a single electrode. In this paper, the first published attempt to directly couple more than two degradation mechanisms in the negative electrode is reported. The results are used to map different pathways through the complicated path dependent and non-linear degradation space. Four degradation mechanisms are coupled in PyBaMM, an open source modelling environment uniquely developed to allow new physics to be implemented and explored quickly and easily. Crucially it is possible to see 'inside' the model and observe the consequences of the different patterns of degradation, such as loss of lithium inventory and loss of active material. For the same cell, five different pathways that can result in end-of-life have already been found, depending on how the cell is used. Such information would enable a product designer to either extend life or predict life based upon the usage pattern. However, parameterization of the degradation models remains as a major challenge, and requires the attention of the international battery community