Exchange parameters from approximate self-interaction correction scheme

The approximate atomic self-interaction corrections (ASIC) method to density functional theory is put to the test by calculating the exchange interaction for a number of prototypical materials, critical to local exchange and correlation functionals. ASIC total energy calculations are mapped onto an Heisenberg pair-wise interaction and the exchange constants J are compared to those obtained with other methods. In general the ASIC scheme drastically improves the bandstructure, which for almost all the cases investigated resemble closely available photo-emission data. In contrast the results for the exchange parameters are less satisfactory. Although ASIC performs reasonably well for systems where the magnetism originates from half-filled bands, it suffers from similar problems than those of LDA for other situations. In particular the exchange constants are still overestimated. This reflects a subtle interplay between exchange and correlation energy, not captured by the ASIC.Comment: 10 page

The pressure-volume-temperature relationship of cellulose

Pressure–volume–temperature (PVT) mea- surements of a-cellulose with different water contents, were performed at temperatures from 25 to 180 °C and pressures from 19.6 to 196 MPa. PVT measurements allowed observation of the combined effects of pressure and temperature on the specific volume during cellulose thermo-compression. All isobars showed a decrease in cellulose specific volume with temperature. This densification is associated with a transition process of the cellulose, occurring at a temperature defined by the inflection point Tt of the isobar curve. Tt decreases from 110 to 40 °C with pressure and is lower as moisture content increases. For isobars obtained at high pressures and high moisture contents, after attaining a minimum, an increase in volume is observed with temperature that may be related to free water evaporation. PVT a-cellulose experimental data was compared with predicted values from a regression analysis of the Tait equations of state, usually applied to synthetic polymers. Good correla- tions were observed at low temperatures and low pressures. The densification observed from the PVT experimental data, at a temperature that decreases with pressure, could result from a sintering phenomenon, but more research is needed to actually understand the cohesion mechanism under these conditions

GPT models in construction industry: Opportunities, limitations, and a use case validation

Large Language Models (LLMs) trained on large data sets came into prominence in 2018 after Google introduced BERT. Subsequently, different LLMs such as GPT models from OpenAI have been released. These models perform well on diverse tasks and have been gaining widespread applications in fields such as business and education. However, little is known about the opportunities and challenges of using LLMs in the construction industry. Thus, this study aims to assess GPT models in the construction industry. A critical review, expert discussion and case study validation are employed to achieve the study's objectives. The findings revealed opportunities for GPT models throughout the project lifecycle. The challenges of leveraging GPT models are highlighted and a use case prototype is developed for materials selection and optimization. The findings of the study would be of benefit to researchers, practitioners and stakeholders, as it presents research vistas for LLMs in the construction industry

Inhibitive Corrosion Performance of the Eco‐Friendly Aloe Vera in Acidic Media of Mild and Stainless Steels

The inhibitive behaviour of aloe vera as an eco‐friendly inhibitor was studied in the corrosion of mild and stainless steel in 0.5 M H2SO4 medium. The varied aloe vera inhibitor concentrations were studied using weight loss (gravimetric) and linear polarization methods. The methods showed that the inhibition efficiency increased with an increase in the concentration of the inhibitor (up to 10 vol/vol%) for both the mild and stainless steels. Stainless steel was found to exhibit a lower corrosion rate compared to mild steel. The results showed that Langmuir adsorption isotherm was obeyed by the inhibition of mild and stainless steel using aloe vera in 0.5 M H2SO4 with the values of the regression coefficients near unity. The negative values of ΔGads show the spontaneous adsorption of inhibitor on the mild and stainless steel surfaces and a physisorption adsorption mechanism of the aloe vera inhibitor since the values of ΔGads obtained are more than − 20 kJ/mol, that is, aloe vera is an efficient corrosion inhibitor with mixed‐type inhibition property

Production of Adhesive from Cassava Starch

The research work investigated the production of adhesive from cassava starch. Cassava tubers were processed into starch-based adhesives, using two different gelatinization enhancers (that is HCl and NaOH) which were introduced separately. The adhesives were produced by considering two varied process parameters, namely percentage weight of borax in starch solution (8 – 20%) and reaction temperature (65 – 850C). Comparative analysis of the adhesive obtained (using HCl and NaOH as gelatinization enhancers) include the determination of its bond strength, viscosity, drying time, pH and density. As the borax weight percent increases up to 14 % and reaction temperature reduces (using NaOH) the drying time increases, while the drying time reduces as both the borax weight percent and temperature reduce (using HCl). The results of the adhesive physical properties fall within the standard range for each of the properties and this implied that the adhesive produced was of high qualit

Impact of Chlamydia trachomatis in the reproductive setting: British Fertility Society Guidelines for practice

Chlamydia trachomatis infection of the genital tract is the most common sexually transmitted infection and has a world-wide distribution. The consequences of infection have an adverse effect on the reproductive health of women and are a common cause of infertility. Recent evidence also suggests an adverse effect on male reproduction. There is a need to standardise the approach in managing the impact of C. trachomatis infection on reproductive health. We have surveyed current UK practice towards screening and management of Chlamydia infections in the fertility setting. We found that at least 90% of clinicians surveyed offered screening. The literature on this topic was examined and revealed a paucity of solid evidence for estimating the risks of long-term reproductive sequelae following lower genital tract infection with C. trachomatis. The mechanism for the damage that occurs after Chlamydial infections is uncertain. However, instrumentation of the uterus in women with C. trachomatis infection is associated with a high risk of pelvic inflammatory disease, which can be prevented by appropriate antibiotic treatment and may prevent infected women from being at increased risk of the adverse sequelae, such as ectopic pregnancy and tubal factor infertility. Recommendations for practice have been proposed and the need for further studies is identified

Cardiovascular disease prevention in rural Nigeria in the context of a community based health insurance scheme: QUality Improvement Cardiovascular care Kwara-I (QUICK-I)

Background: Cardiovascular diseases (CVD) are a leading contributor to the burden of disease in low- and middle-income countries. Guidelines for CVD prevention care in low resource settings have been developed but little information is available on strategies to implement this care. A community health insurance program might be used to improve patients' access to care. The operational research project "QUality Improvement Cardiovascular care Kwara - I (QUICK-I)" aims to assess the feasibility of CVD prevention care in rural Nigeria, according to international guidelines, in the context of a community based health insurance scheme. Methods/Design. Design: prospective observational hospital based cohort study. Setting: a primary health care centre in rural Nigeria. Study population: 300 patients at risk for development of CVD (patients with hypertension, diabetes, renal disease or established CVD) who are enrolled in the Hygeia Community Health Plan. Measurements: demographic and socio- economic data, physical and laboratory examination, CVD risk profile including screening for target organ damage. Measurements will be done at 3 month intervals during 1 year. Direct and indirect costs of CVD prevention care will be estimated. Outcomes: 1) The adjusted cardiovascular quality of care indicator scores based on the "United Kingdom

Equity and justice in climate change adaptation : Policy and practical implication in Nigeria

Over the past decade, justice and equity have become a quasi-universal answer to problems of environmental governance. The principles of justice and equity emerged as a useful entry point in global governance to explore the responsibilities, distribution, and procedures required for just climate change adaptation. These principles are designed primarily through the establishment of funding mechanisms, top-down guides, and frameworks for adaptation, and other adaptation instruments from the UNFCCC process, to ensure effective adaptation for vulnerable countries like Nigeria that have contributed least to the issue of climate change but lack adaptive capacity. Global adaptation instruments have been acknowledged for adaptation in Nigeria. Climate change has a detrimental impact on Nigeria as a nation, with the burden falling disproportionately on the local government areas. As Nigeria develop national plans and policies to adapt to the consequences of climate change, these plans will have significant consequences for local government areas where adaptation practices occur. Although the local government’s adaptation burden raises the prospects for justice and equity, its policy and practical implication remains less explored. This chapter explores the principles of justice and equity in national adaptation policy and adaptation practices in eight local government areas in southeast Nigeria. The chapter argues that some factors make it challenging to achieve equity and justice in local adaptation practices. With the use of a qualitative approach (interview (n = 52), observation, and document analysis), this chapter identified some of the factors that constraints equity and justice in local government adaptation in southeast Nigeria.publishedVersio