Local Volume Effects in the Generalized Pseudopotential Theory

The generalized pseudopotential theory (GPT) is a powerful method for deriving real-space transferable interatomic potentials. Using a coarse-grained electronic structure, one can explicitly calculate the pair ion-ion and multi-ion interactions in simple and transition metals. Whilst successful in determining bulk properties, in central force metals the GPT fails to describe crystal defects for which there is a significant local volume change. A previous paper [PhysRevLett.66.3036 (1991)] found that by allowing the GPT total energy to depend upon some spatially-averaged local electron density, the energetics of vacancies and surfaces could be calculated within experimental ranges. In this paper, we develop the formalism further by explicitly calculating the forces and stress tensor associated with this total energy. We call this scheme the adaptive GPT (aGPT) and it is capable of both molecular dynamics and molecular statics. We apply the aGPT to vacancy formation and divacancy binding in hcp Mg and also calculate the local electron density corrections to the bulk elastic constants and phonon dispersion for which there is refinement over the baseline GPT treatment.Comment: 11 pages, 6 figure

Where do uncertainties reside within environmental risk assessments? Expert opinion on uncertainty distributions for pesticide risks to surface water organisms

A reliable characterisation of uncertainties can aid uncertainty identification during environmental risk assessments (ERAs). However, typologies can be implemented inconsistently, causing uncertainties to go unidentified. We present an approach based on nine structured elicitations, in which subject-matter experts, for pesticide risks to surface water organisms, validate and assess three dimensions of uncertainty: its level (the severity of uncertainty, ranging from determinism to ignorance); nature (whether the uncertainty is epistemic or aleatory); and location (the data source or area in which the uncertainty arises). Risk characterisation contains the highest median levels of uncertainty, associated with estimating, aggregating and evaluating the magnitude of risks. Regarding the locations in which uncertainty is manifest, data uncertainty is dominant in problem formulation, exposure assessment and effects assessment. The comprehensive description of uncertainty described will enable risk analysts to prioritise the required phases, groups of tasks, or individual tasks within a risk analysis according to the highest levels of uncertainty, the potential for uncertainty to be reduced or quantified, or the types of location-based uncertainty, thus aiding uncertainty prioritisation during environmental risk assessments. In turn, it is expected to inform investment in uncertainty reduction or targeted risk management action

The problem of shot selection in basketball

In basketball, every time the offense produces a shot opportunity the player with the ball must decide whether the shot is worth taking. In this paper, I explore the question of when a team should shoot and when they should pass up the shot by considering a simple theoretical model of the shot selection process, in which the quality of shot opportunities generated by the offense is assumed to fall randomly within a uniform distribution. I derive an answer to the question "how likely must the shot be to go in before the player should take it?", and show that this "lower cutoff" for shot quality $f$ depends crucially on the number $n$ of shot opportunities remaining (say, before the shot clock expires), with larger $n$ demanding that only higher-quality shots should be taken. The function $f(n)$ is also derived in the presence of a finite turnover rate and used to predict the shooting rate of an optimal-shooting team as a function of time. This prediction is compared to observed shooting rates from the National Basketball Association (NBA), and the comparison suggests that NBA players tend to wait too long before shooting and undervalue the probability of committing a turnover.Comment: 7 pages, 2 figures; comparison to NBA data adde

Broadening Responsibilities: Consideration Of The Potential To Broaden The Role Of Uniformed Fire Service Employees

What is this report about? This report, commissioned by the National Joint Council for Local Authority Fire and Rescue Services (NJC), aims to identify what impact, if any, firefighters can have on the delivery of emergency medical response and wider community health interventions in the UK. What are the overall conclusions? Appropriately trained and equipped firefighters co-responding1 to targeted, specific time critical medical events, such as cardiac arrest, can improve patient survival rates. The data also indicate that there is support from fire service staff – and a potential need from members of the public, particularly the elderly, isolated or vulnerable – to expand ‘wider work’. This includes winter warmth assessments, Safe and Well checks, community defibrillator training and client referrals when staff believe someone may have dementia, are vulnerable or even, for example, have substance dependencies such as an alcohol addiction. However, there is currently insufficient data to estimate the net benefit of this work

An Atlantic-Pacific ventilation seesaw across the last deglaciation

It has been proposed that the rapid rise of atmospheric CO2across the last deglaciation was driven by the release of carbon from an extremely radiocarbon-depleted abyssal ocean reservoir that was ‘vented’ to the atmosphere primarily via the deep-and intermediate overturning loops in the Southern Ocean. While some radiocarbon observations from the intermediate ocean appear to confirm this hypothesis, others appear to refute it. Here we use radiocarbon measurements in paired benthic-and planktonic foraminifera to reconstruct the benthic–planktonic14C age offset (i.e. ‘ventilation age’) of intermediate waters in the western equatorial Atlantic. Our results show clear increases in local radiocarbon-based ventilation ages during Heinrich-Stadial 1 (HS1) and the Younger Dryas (YD). These are found to coincide with opposite changes of similar magnitude observed in the Pacific, demonstrating a ‘seesaw’ in the ventilation of the intermediate Atlantic and Pacific Oceans that numerical model simulations of North Atlantic overturning collapse indicate was primarily driven by North Pacific overturning. We propose that this Atlantic–Pacific ventilation seesaw would have combined with a previously identified North Atlantic–Southern Ocean ventilation seesaw to enhance ocean–atmosphere CO2exchange during a ‘collapse’ of the North Atlantic deep overturning limb. Whereas previous work has emphasized a more passive role for intermediate waters in deglacial climate change (merely conveying changes originating in the Southern Ocean) we suggest instead that the intermediate water seesaw played a more active role via relatively subtle but globally coordinated changes in ocean dynamics that may have further influenced ocean–atmosphere carbon exchange.We are grateful to Adam Scrivner for technical assistance in the laboratory, as well as the Royal Society and NERC grant NE/L006421/1 for research support. The UVic ESCM numerical ex-periments were performed on a computational cluster from the NCI National Facility systems at the Australian National University through the National Computational Merit Allocation Scheme sup-ported by the Australian Government. A.T. and T.F. acknowledge support from the US NSF grants 1341311, 1400914. L.M. is sup-ported by the Australian Research Council grant DE150100107.This is the final version. It was first published by Elsevier at http://www.sciencedirect.com/science/article/pii/S0012821X15003301

A Comparison of a Direct- and a Plate-counting Technique for the Quantitative Estimation of Soil Micro-organisms

RESP-308

Inverse remodelling algorithm identifies habitual manual activities of primates based on metacarpal bone architecture

Previously, a micro-finite element (micro-FE)-based inverse remodelling method was presented in the literature that reconstructs the loading history of a bone based on its architecture alone. Despite promising preliminary results, it remains unclear whether this method is sensitive enough to detect differences of bone loading related to pathologies or habitual activities. The goal of this study was to test the sensitivity of the inverse remodelling method by predicting joint loading histories of metacarpal bones of species with similar anatomy but clearly distinct habitual hand use. Three groups of habitual hand use were defined using the most representative primate species: manipulation (human), suspensory locomotion (orangutan), and knuckle-walking locomotion (bonobo, chimpanzee, gorilla). Nine to ten micro-computed tomography scans of each species ($$n=48$$n=48in total) were used to create micro-FE models of the metacarpal head region. The most probable joint loading history was predicted by optimally scaling six load cases representing joint postures ranging from $$-\,75^{\circ }$$-75∘(extension) to $$+\,75^{\circ }$$+75∘(flexion). Predicted mean joint load directions were significantly different between knuckle-walking and non-knuckle-walking groups ($$p<0.05$$p<0.05) and in line with expected primary hand postures. Mean joint load magnitudes tended to be larger in species using their hands for locomotion compared to species using them for manipulation. In conclusion, this study shows that the micro-FE-based inverse remodelling method is sensitive enough to detect differences of joint loading related to habitual manual activities of primates and might, therefore, be useful for palaeoanthropologists to reconstruct the behaviour of extinct species and for biomedical applications such as detecting pathological joint loading