The structure of atomic and molecular clusters, optimised using classical potentials

The problem of the determination of the minimum energy configuration of an arrangement of N point particles under the interaction of their interatomic forces is discussed. The interatomic forces are described by classical many body potentials. Different optimisation methods are considered, multi level single link, topographical differential evolution and a genetic algorithm but it is shown that genetic algorithms combined with an efficient local optimisation method is especially quick and reliable for this task. In addition to comparing some different optimisation methods, the structures of clusters of atoms described by interatomic potential functions containing up to a few hundred atoms are calculated including some with some special symmetries. A number of applications are given including covalent carbon and silicon clusters, close-packed structures such as argon and silver and the two-component carbon-hydrogen system

A three-layer MRI-based head phantom for experimental validation of tES simulations

Transcranial electric stimulation (tES) is being investigated for the relief of seizures in medically refractory epilepsy patients. In a quest to optimize the electrode placement and current for improvement of the outcome, we are investigating the exploitation of the pre-stimulation planning using finite element simulations based on individual anatomy from MRI [RM1] scans. A crucial step is validating the stimulation modeling accuracy, but commercial setups for validation do not exist.Hereto, we developed a three-layer head phantom, consisting of skin, skull, and brain tissue, that captures the crucial anatomical features and provides a convenient way of verifying the induced electric fields. It also enables systematic characterization of the uncertainties and variations in conductivity and anatomy. Experiments on the three-layer phantom bridge the gap between simulations and clinical practice since they also allow for using clinical hardware and electrodes.The developed phantom consists of an agar and salt brain layer, a graphite-doped polyurethane skull, and a skin layer made from agar gel with a different conductivity. In this way the solid skull separates the two gel layers, preventing possible ion drift over the layers. The anatomy is based on the ICBM 152 linear model, an average of 152 MRI scans, which enables us to intuitively link measurements and simulations. To perform the systematic characterization experiments, hardware and software were designed in-house. This allows for stimulations and measurements on the phantom in a cheap and modular way. The designed hardware consists of a PID-controlled tES stimulator, which can deliver 4 mA with a frequency up to 100 Hz, and a four-channel differential sensing board based on the OpenBCI Ganglion board.A realistic and modular phantom expands the possibilities of preclinical tES research by providing a tool to validate electric field simulations as well as experiment with clinical hardware and anatomical variations

Combined household and GIS analysis of farmer strategies: an application to feeding practices on smallholder Kenyan dairy farms

Traditional studies of agricultural technology adoption have long been constrained by a limited ability to include spatially-differentiated data. Typically, crude proxies or location dummy variables are used to approximate spatial effects. GIS tools, however, now allow spatially explicit data to be included in household econometric models of technology adoption. This paper describes a study that combined GIS and survey variables to examine the cattle feeding strategies on farms in highland Kenya. Data from a large geo-referenced household survey were combined with GIS-derived variables to comprehensively evaluate the spatial, agro-ecological, market and farm resource factors that determine variability of feeding strategies on smallholder dairy farms. Roads, urban populations, milk collection and processing facilities were digitised, and integrated with spatial coverages of agro-ecology. These were then combined, using econometric methods, to quantify the main spatial and local determinants of the probability of adoption of: a) stall feeding or zero-grazing, and b) planted fodder in the form of Napier grass. The results show the influence not only of agro-ecology, but also of market infrastructure and support services on the adoption of improved feeding strategies. A comparison of predicted uptake using GIS and household variables shows that after first calibrating GIS-derived variables through a household survey, broad but reliable predictions of technology uptake in other areas may be possible

Insecticidal activity of bio-oils and biochar as pyrolysis products and their combination with microbial agents against Agrotis ipsilon (Lepidoptera: Noctuidae)

Pyrolysis technology for producing biochar and bio-oils can be used as a potential alternative to make biopesticides, which are urgently needed in integrated pest management (IPM). Insecticidal activity of three components of bio-oils: aqueous, organic and their mixture, was evaluated individually and with three different entomopathogens: the baculovirus Agrotis ipsilon nucleopolyhedrovirus (AgipMNPV), bacterium Bacillus thuringensis var. kurstaki (Bt) and fungus Beauveria bassiana (Bb) against black cutworm, Agrotis ipsilon (Hufnagel). The effect of alkaline conditions of spray-dried biochar was studied simultaneously with the microbial pathogens. Our bioassay results indicated that the organic bio-oil phase was the most active, causing 100% mortality after 24 h, when the median lethal toxicity values LC50s (mg/ml) were found. However, the bio-oil fractions applied alone tended to cause higher mortality of the exposed larvae than did either mix with the microbial agents. Also, the results revealed that maximum mortalities were found in spray-dried formulations made with biochar at pH 7.1. It was concluded that pyrolysis oils are effective insecticides, and biochar could be a useful additive in production and formulation of biopesticides. This interesting finding further promotes the use of pyrolysis bio-oils and biochar compounds as eco-friendly alternatives to replace conventional pesticides

Optimising beneficiary choices : standardisation of medical scheme benefit options

Market segmentation analyses suggest that beneficiaries are confused by too many benefit options; that choice sets facing different beneficiaries are not the same; and that information is not equally accessible.http://www.journals.co.za/content/journal/healthrEconomic

On the absence of ferromagnetism in typical 2D ferromagnets

We consider the Ising systems in $d$ dimensions with nearest-neighbor ferromagnetic interactions and long-range repulsive (antiferromagnetic) interactions which decay with a power, $s$, of the distance. The physical context of such models is discussed; primarily this is $d=2$ and $s=3$ where, at long distances, genuine magnetic interactions between genuine magnetic dipoles are of this form. We prove that when the power of decay lies above $d$ and does not exceed $d+1$, then for all temperatures, the spontaneous magnetization is zero. In contrast, we also show that for powers exceeding $d+1$ (with $d\ge2$) magnetic order can occur.Comment: 15 pages, CMP style fil