An updated version of BoltzWann: A code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis

BoltzWann is a code to evaluate thermoelectric and electronic transport properties of extended systems with a maximally-localized Wannier function basis set. The semiclassical Boltzmann transport equations for the homogeneous infinite system are solved in the constant relaxation-time approximation and band energies and band derivatives are obtained via Wannier interpolations. Thanks to the exponential localization of the Wannier functions obtained, very high accuracy in the Brillouin zone integrals can be achieved with very moderate computational costs. Moreover, the analytical expression for the band derivatives in the Wannier basis resolves any issues that may occur when evaluating derivatives near band crossings. We present here an updated version of the BoltzWann code, which is now fully integrated within Wannier90 version 2.0, with minor bug fixes and the possibility to study also two-dimensional systems.     

A Bayesian paradox and its impact on the GUM approach to uncertainty

The paper presents ideas and observations about the use of the frequentist and the Bayesian approach to estimation and uncertainty. The merits and the pitfalls of the Bayesian approach, compared with the frequentist one, are illustrated using a simple example, which gives rise to an instructive paradox. The impact of the paradox on the GUM approach to uncertainty prescribed in Supplement 1 is highlighted and discussed.     

A Multiphase Pore Scale Network Model of Gas Exchange in Apple Fruit

A multiphase pore scale network model was developed to describe mass transfer in apple fruit. The 3D microscale geometry of the tissue was reconstructed from synchrotron radiation tomography images. Individual cells and pores were identified using a watershed segmentation procedure on a Euclidean distance map of the tissue microstructure. Further morphological characteristics of each individual pore, including its volume, connections to the neighbors and the connected area between the pore and its neighbors, were determined. The tissue was represented by a network of nodes (simplified individual pores and cells) that were interconnected by tubes. The transport of the respiratory gases O₂ and CO₂ between two nodes was modelled using diffusion laws and irreversible thermodynamics, while respiration was taken into account in the individual cellular nodes. A numerical procedure was applied to simulate the gas transport within the discrete network and to compute the local diffusivities of the links in the network. The predicted overall gas diffusivities compared well to experimental data and results computed from a microscale continuum model, thereby validating the pore scale network model. This approach is a computationally attractive alternative to a continuum multiphase approach for modelling gas transport in fruit.     

Cargo scheduling decision support for offshore oil and gas production: a case study

Woodside Energy Ltd (Woodside), Australia’s largest independent oil and gas company, operates multiple oil and gas facilities off the coast of Western Australia. These facilities require regular cargo shipments from supply vessels based in Karratha, Western Australia. In this paper, we describe a decision support model for scheduling the cargo shipments to minimize travel cost and trip duration, subject to various operational restrictions including vessel capacities, cargo demands at the facilities, time windows at the facilities, and base opening times. The model is a type of non-standard vehicle routing problem involving multiple supply vessels—a primary supply vessel that visits every facility during a round trip taking at most 1 week, and other supply vessels that are used on an ad hoc basis when the primary vessel cannot meet all cargo demands. We validate the model via test simulations using real data provided by Woodside.     

Shot scale distribution in art films

The scale of shot, i.e. the apparent distance of the camera from the main subject of a scene, is one of the main stylistic and narrative functions of audiovisual products, conveying meaning and inducing the viewer’s emotional state. The statistical distribution of different shot scales in a film may be an important identifier of an individual film, an individual author, and of various narrative and affective functions of a film. In order to understand at which level shot scale distribution (SSD) of a movie might become its fingerprint, it is necessary to produce automatic recognition of shot scale on a large movie corpus. In our work we propose an automatic framework for estimating the SSD of a movie by using inherent characteristics of shots containing information about camera distance, without the need to recover the 3D structure of the scene. In the experimental investigation, the comparison of obtained results with manual SSD annotations proves the validity of the framework. Experiments conducted on movies by Michelangelo Antonioni taken from different stylistic periods (1950–57, 1960–64, 1966–75, 1980–82) show a strong similarity in shot scale distributions within each period, thus opening interesting research lines regarding the possible aesthetic and cognitive sources of such a regularity.     

Adsorption Behavior of Halogenated Anesthetic and Water Vapor on Cr‐Based MOF (MIL‐101) Adsorbent. Part I. Equilibrium and Breakthrough Characterizations

A synthesized chromium‐based metal organic framework (Cr‐MOF) was used for the adsorption of halogenated anesthetics, i.e., sevoflurane (SF). Adsorption isotherm and breakthrough experiments involving SF (reference sorbate) and water vapor were measured at 298 K and atmospheric pressure on both Cr‐MOF and a commercially used reference adsorbent. The Cr‐MOF MIL‐101 showed a significantly higher SF adsorption capacity and much higher selectivity relative to water vapor compared to the reference adsorbent. Binary‐mixture breakthrough tests demonstrated a “roll‐up effect” for SF on the reference adsorbent while no such effect was observed on MIL‐101.     

Foreign firms in core or peripheral areas? The spatial dimension of job creation and wages in Sub-Saharan Africa

This paper investigates the within-country location choices of a large sample of foreign and domestic firms in 19 Sub-Saharan African countries. We show that foreign firms are more likely to locate in core regions compared to domestic ones but generate significantly more jobs per productive unit in the periphery. We find some evidence that foreign firms generate relatively better jobs in peripheral areas: more skill intensive and better paid. These results highlight a fundamental role that FDI in peripheral areas might play in rebalancing the spatial distribution of economic opportunities in developing countries where highly congested megacities exercise a strong centripetal force.     

A proactive and resilient seismic risk mitigation strategy for existing school buildings

Different methods and procedures have been developed to define prioritisation strategies of retrofit interventions aimed at reducing the seismic risk of school buildings on a large territorial scale. However, these approaches fail to demonstrate how risk analysis has been used successfully to quantitatively assess and select the optimal risk management decision. This article proposes innovative and useful metrics to measure the potential costs and benefits related to the prioritisation of retrofit intervention and the resilience of the analysed school system by directly integrating engineering, organisational, socio-economic and political aspects in the realm of seismic resilience assessment. Based on probabilistic risk assessments considering the new vulnerability of the prioritised school buildings, these measures could predict the expected economic and functional losses associated with a disastrous seismic event, as well as the possible post-disaster recovery of the system. In order to help decision-makers in selecting the optimal mitigation strategy with a multidisciplinary and multidimensional perspective, different political scenarios, the relative prioritisations of interventions and their intervention options are also defined. The proposed framework is demonstrated in a complex case study of 1,825 public schools in the Lima metropolitan area, Peru. Policymakers, planners and engineering professionals could benefit from results.     

Materials systems for interleave toughening in polymer composites

We review the literature describing the use of interleaves to increase interlaminar fracture toughness in fibre-reinforced polymer composites and hence to improve damage tolerance. From an analysis of data provided in the literature from the use of microfibre and nanofibre interleaves, we show that the performance of these widely researched systems is clearly differentiated when plotted against the mean coverage of the interleaf. Using a simple analysis, we suggest that this can be attributed to the influence of their porous architectures on the infusion of resin. We show also that the superior toughening performance of microfibre interleaves is only weakly influenced by the choice of fibre. We find also that the inclusion of carbon nanotubes within interleaves to deliver multifunctional composites can be optimised by using a hybrid system with microfibres.

Graphical abstract