A More Accurate Generalized Gradient Approximation for Solids

We present a new nonempirical density functional generalized gradient approximation (GGA) that gives significant improvements for lattice constants, crystal structures, and metal surface energies over the most popular Perdew-Burke-Ernzerhof (PBE) GGA. The new functional is based on a diffuse radial cutoff for the exchange-hole in real space, and the analytic gradient expansion of the exchange energy for small gradients. There are no adjustable parameters, the constraining conditions of PBE are maintained, and the functional is easily implemented in existing codes.Comment: 5 pages, corrected the errors of the sublimation energy of Ih ic

Relationships between reading, tracing and writing skills in introductory programming

This study analyzed student responses to an examination, after the students had completed one semester of instruction in programming. The performance of students on code tracing tasks correlated with their performance on code writing tasks. A correlation was also found between performance on "explain in plain English" tasks and code writing. A stepwise regression, with performance on code writing as the dependent variable, was used to construct a path diagram. The diagram suggests the possibility of a hierarchy of programming related tasks. Knowledge of programming constructs forms the bottom of the hierarchy, with "explain in English", Parson's puzzles, and the tracing of iterative code forming one or more intermediate levels in the hierarchy. Copyright 2008 ACM

Excavations and the afterlife of a professional football stadium, Peel Park, Accrington, Lancashire: towards an archaeology of football

Association football is now a multi-billion dollar global industry whose emergence spans the post-medieval to the modern world. With its professional roots in late 19th-century industrial Lancashire, stadiums built for the professionalization of football first appear in frequency in the North of England. While many historians of sport focus on consumerism and ‘topophilia’ (attachment to place) regarding these local football grounds, archaeological research that has been conducted on the spectator experience suggests status differentiation within them. Our excavations at Peel Park confirm this impression while also showing a significant afterlife to this stadium, particularly through children’s play

A comparison between water uptake and root length density in winter wheat: effects of root density and rhizosphere properties

© 2020, The Author(s). Background and aims: We aim to quantify the variation in root distribution in a set of 35 experimental wheat lines. We also compared the effect of variation in hydraulic properties of the rhizosphere on water uptake by roots. Methods: We measured the root length density and soil drying in 35 wheat lines in a field experiment. A 3D numerical model was used to predict soil drying profiles with the different root length distributions and compared with measured soil drying. The model was used to test different scenarios of the hydraulic properties of the rhizosphere. Results: We showed that wheat lines with no detectable differences in root length density can induce soil drying profiles with statistically significant differences. Our data confirmed that a root length density of at least 1cm/cm3 is needed to drain all the available water in soil. In surface layers where the root length density was far greater than 1cm/cm3 water uptake was independent of rooting density due to competition for water. However, in deeper layers where root length density was less than 1cm/cm3, water uptake by roots was proportional to root density. Conclusion: In a set of wheat lines with no detectable differences in the root length density we found significant differences in water uptake. This may be because small differences in root density at depth can result in larger differences in water uptake or that the hydraulic properties of the rhizosphere can greatly affect water uptake

An overlooked mechanism underlying the attenuated temperature response of soil heterotrophic respiration

Biogeochemical reactions occurring in soil pore space underpin gaseous emissions measured at macroscopic scales but are difficult to quantify due to their complexity and heterogeneity. We develop a volumetric-average method to calculate aerobic respiration rates analytically from soil with microscopic soil structure represented explicitly. Soil water content in the model is the result of the volumetric-average of the microscopic processes, and it is nonlinearly coupled with temperature and other factors. Since many biogeochemical reactions are driven by oxygen (O2) which must overcome various resistances before reaching reactive microsites from the atmosphere, the volumetric-average results in negative feedback between temperature and soil respiration, with the magnitude of the feedback increasing with soil water content and substrate quality. Comparisons with various experiments show the model reproduces the variation of carbon dioxide emission from soils under different water content and temperature gradients, indicating that it captures the key microscopic processes underpinning soil respiration. We show that alongside thermal microbial adaptation, substrate heterogeneity and microbial turnover and carbon use efficiency, O2 dissolution and diffusion in water associated with soil pore space is another key explanation for the attenuated temperature response of soil respiration and should be considered in developing soil organic carbon models

Understanding in situ ozone production in the summertime through radical observations and modelling studies during the Clean air for London project (ClearfLo)

Measurements of OH, HO2, RO2i (alkene and aromatic-related RO2) and total RO2 radicals taken during the ClearfLo campaign in central London in the summer of 2012 are presented. A photostationary steady-state calculation of OH which considered measured OH reactivity as the OH sink term and the measured OH sources (of which HO2+ NO reaction and HONO photolysis dominated) compared well with the observed levels of OH. Comparison with calculations from a detailed box model utilising the Master Chemical Mechanism v3.2, however, highlighted a substantial discrepancy between radical observations under lower NOx conditions ([NO] 3 ppbv) the box model increasingly underpredicted total [RO2]. The modelled and observed HO2 were in agreement, however, under elevated NO concentrations ranging from 7 to 15 ppbv. The model uncertainty under low NO conditions leads to more ozone production predicted using modelled peroxy radical concentrations ( ≈ 3 ppbv h-1) versus ozone production from peroxy radicals measured ( ≈ 1 ppbv h-1). Conversely, ozone production derived from the predicted peroxy radicals is up to an order of magnitude lower than from the observed peroxy radicals as [NO] increases beyond 7 ppbv due to the model underprediction of RO2 under these conditions

Antimicrobial activity from endophytic fungi isolated from plant leaves in Dipterocarpous forest at Viengsa district Nan province, Thailand

Eleven fungal endophytes representing different morphotaxa were characterized from 68 cultures, which were isolated from 4 species of Dipterocapous trees (Dipterocarpus tuberculatus Roxb., Shorea obtusa Wall., Shorea siamensis Miq. and Dalbergia oliveri Gamble.) growing in the Dipterocapous forest at Viengsa district, Nan province. Species of Phyllosticta spp. (15 isolates), Nodulisporium spp. (13 isolates) and Xylaria sp.1 (10 isolates) were the most frequently found. All endophytic fungal isolates were tested for potential production of bioactive metabolites. They were tested for antimicrobial activity against pathogenic microorganisms such as Staphylococcus aureus, Bacillus subtilis, Pseudomonas aerogenosa, Escherichia coli and Candida albicans by the paper disk susceptibility test. They inhibited the growth of Gram positive bacteria more than Gram negative bacteria. Candida albicans was inhibited only by Nodulissporium sp. (DT6) and Xylaria sp.1 (DO9)

High-school students' mastery of basic flow-control constructs through the lens of reversibility

High-school students specialising in computing fields need to develop the abstraction skills required to understand and create programs. Novices' difficulties at high-school level, ranging from mastery of the "notional machine"to recognition of a program's purpose, have not been investigated as extensively as at tertiary level. This work explores high-school students' code comprehension by asking to reason about reversing conditional and iteration constructs. A sample of 205 K11 - 13 students from different institutions were asked to engage in a set of "reversibility tasklets". For each code fragment, they need to identify if its computation is reversible and either provide the code to reverse or an example of a value that cannot be reversed. For 4 such items, after extracting the recurrent patterns in students' answers, we have carried out an analysis within the framework of the SOLO taxonomy. Overall, 74% of answers correctly identified if the code was reversible but only 42% could provide the full explanation/code. The rate of relational answers varies from 51% down to 21%, the poorest performance arising for a small array-processing loop (and although 65% of the subjects had correctly identified the loop as reversible). The instruction level did not have a strong impact on performance, indicating such tasks are suitable for K11, when the basic flow-control constructs are usually introduced. In particular, the reversibility concept could be a useful pedagogical instrument both to assess and to help develop students' program comprehension