Handelingen der Maatschappij van Geschied- en Oudheidkunde te Gent; Annales de la Société dh̕istoire et archéologie de Gand.

Vol. 15, no. 2, issued as v. 13, no. 5.

Van der Waals-corrected density functional theory : benchmarking for hydrogen–nanotube and nanotube–nanotube interactions

Density functional theory (DFT) is a powerful approach to electronic structure calculations in extended systems, but suffers currently from inadequate incorporation of long-range dispersion, or Van der Waals (VdW) interactions. VdW-corrected DFT is tested for interactions involving molecular hydrogen, graphite, single-walled carbon nanotubes (SWCNTs), and SWCNT bundles. The energy correction, based on an empirical London dispersion term with a damping function at short range, allows a reasonable physisorption energy and equilibrium distance to be obtained for H2 on a model graphite surface. The VdW-corrected DFT calculation for an (8, 8) nanotube bundle reproduces accurately the experimental lattice constant. For H2 inside or outside an (8, 8) SWCNT, we find the binding energies are respectively higher and lower than that on a graphite surface, correctly predicting the well known curvature effect. We conclude that the VdW correction is a very effective method for implementing DFT calculations, allowing a reliable description of both short-range chemical bonding and long-range dispersive interactions. The method will find powerful applications in areas of SWCNT research where empirical potential functions either have not been developed, or do not capture the necessary range of both dispersion and bonding interactions.

Calibration functions for estimating soil moisture from GPR dielectric constant measurements

Ground-penetrating radar (GPR) is widely used for assessment of soil moisture variability in field soils. Because GPR does not measure soil water content directly, it is common practice to use calibration functions that describe its relationship with the soil dielectric properties and textural parameters. However, the large variety of models complicates the selection of the appropriate function. In this article an overview is presented of the different functions available, including volumetric models, empirical functions, effective medium theories, and frequency-specific functions. Using detailed information presented in summary tables, the choice for which calibration function to use can be guided by the soil variables available to the user, the frequency of the GPR equipment, and the desired level of detail of the output. This article can thus serve as a guide for GPR practitioners to obtain soil moisture values and to estimate soil dielectric properties.

Trashtopia by Maison Briz Vegas

Description of the Work Trashtopia was a fashion exhibition at Craft Queensland’s Artisan gallery showcasing outfits made entirely from rubbish materials. The exhibition was part of an on-going series by the Queensland Fashion Archives, called Remember or Revive. Maison Briz Vegas designers, Carla Binotto and Carla van Lunn created a dystopian beach holiday tableau referencing mid-century Californian and Gold Coast beach culture and style, and today’s plastic pollution of the world’s oceans. The display engaged a popular audience with ideas about environmental destruction and climate change while bringing twentieth and twenty-first century consumer and leisure culture into question. The medium of fashion was used as a means of amusement and provocation. The fashion objects and installation questioned current mores about the material value of rubbish and the installation was also a work of environmental activism. Statement of the Research Component The work was framed by critical reflections of contemporary consumer culture and research fields questioning value in waste materials and fashion objects. The work is situated in the context of conceptual and experimental fashion design practice and fashion presentation. The exhibited work transgressed the conventional production methods and material choice of designer fashion garments, for example, discarded plastic shopping bags were painstakingly shredded to mimic ostrich feathers. The viewer was prompted to reflect on the materiality of rubbish and its potential for transformation. The exhibition also sits in the context of culture jamming and contemporary activist practice. The work references and subverts twentieth century beach holiday culture, contrasting resort wear with a contemporary picture of plastic pollution of the oceans and climate change. Hawaiian style prints contained a playful and dark narrative of dying marine-life and the viewer was invited to take a “Greetings from Trashtopia” postcard depicting fashion models floating in oceans of plastic rubbish. This reflective creative practice sought to address the question of whether fashion made from recycled rubbish materials can critically and emotionally engage viewers with questions about contemporary consumer culture and material value. This work presents an innovative model of fashion design practice in which rubbish materials are transformed into designer garments and rubbish is placed centre stage in the public presentation of the designs. In overturning the traditional model of fashion presentation, the viewer is also given a deeper connection to the recycling process and complex ideas of waste and value. In 2015 two outfits from the exhibition were selected, along with works from three leading Australian fashion labels, and four leading New Zealand labels, for a commemorative ANZAC fashion collection shown at iD Dunedin Fashion Week. The show titled, “Together Alone, revisited” reprised an Australian and New Zealand fashion exhibition first held at the National Gallery of Victoria in 2009.

Analysis of Parameter Values in the van der Waals and Platteeuw Theory for Methane Hydrates Using Monte Carlo Molecular Simulations

The van der Waals and Platteuw (vdVVP) theory has been successfully used to model the thermodynamics of gas hydrates. However, earlier studies have shown that this could be due to the presence of a large number of adjustable parameters whose values are obtained through regression with experimental data. To test this assertion, we carry out a systematic and rigorous study of the performance of various models of vdWP theory that have been proposed over the years. The hydrate phase equilibrium data used for this study is obtained from Monte Carlo molecular simulations of methane hydrates. The parameters of the vdWP theory are regressed from this equilibrium data and compared with their true values obtained directly from simulations. This comparison reveals that (i) methane-water interactions beyond the first cage and methane-methane interactions make a significant contribution to the partition function and thus cannot be neglected, (ii) the rigorous Monte Carlo integration should be used to evaluate the Langmuir constant instead of the spherical smoothed cell approximation, (iii) the parameter values describing the methane-water interactions cannot be correctly regressed from the equilibrium data using the vdVVP theory in its present form, (iv) the regressed empty hydrate property values closely match their true values irrespective of the level of rigor in the theory, and (v) the flexibility of the water lattice forming the hydrate phase needs to be incorporated in the vdWP theory. Since methane is among the simplest of hydrate forming molecules, the conclusions from this study should also hold true for more complicated hydrate guest molecules.

Strategy for Enhancing the Dielectric Constant of Organic Semiconductors Without Sacrificing Charge Carrier Mobility and Solubility

Current organic semiconductors for organic photovoltaics (OPV) have relative dielectric constants (relative permittivities, epsilon(r)) in the range of 2-4. As a consequence, Coulombically bound electron-hole pairs (excitons) are produced upon absorption of light, giving rise to limited power conversion efficiencies. We introduce a strategy to enhance epsilon(r) of well-known donors and acceptors without breaking conjugation, degrading charge carrier mobility or altering the transport gap. The ability of ethylene glycol (EG) repeating units to rapidly reorient their dipoles with the charge redistributions in the environment was proven via density functional theory (DFT) calculations. Fullerene derivatives functionalized with triethylene glycol side chains were studied for the enhancement of epsilon(r) together with poly(p-phenylene vinylene) and diketo-pyrrolopyrrole based polymers functionalized with similar side chains. The polymers showed a doubling of epsilon(r) with respect to their reference polymers in identical backbone. Fullerene derivatives presented enhancements up to 6 compared with phenyl-C-61-butyric acid methyl ester (PCBM) as the reference. Importantly, the applied modifications did not affect the mobility of electrons and holes and provided excellent solubility in common organic solvents.

Morphological Stability of Epitaxial Thin Elastic Films by Van Der Waals Force

The morphological stability of epitaxial thin elastic films on a substrate by van der Waals force is discussed. It is found that only van der Waals force with negative Hamaker constant (A < 0) tends to stabilize the film, and the lower bound for the Hamaker constant is also obtained for the stability of thin film. The critical value of the undulation wavelength is found to be a function of both film thickness and external stress. The charateristic time-scale for surface mass diffusion scales to the fourth power to the wavelength of the perturbation.

Educating families about end-of-life care in advanced dementia:Acceptability of a Canadian family booklet to nurses from Canada, France, and Japan

Background: The families of people with late-stage dementia need to be informed about the course of the dementia and the comfort/ palliative care option. A booklet was written for that purpose and can be provided to family members by physicians and nurses. Methods: The acceptability of the booklet for nurses was tested in Canada (French and English version), France (French Canadian version) and Japan (translated and adapted version). Results: Overall, 188 nurses completed a survey questionnaire. The booklet was accepted best in Canada and less so in France and Japan. Despite regional variation, the majority of the nurses perceived the booklet as useful for families. The French and Japanese nurses also reported a greater need for palliative care education in advanced dementia. Conclusion: The booklet may help nurses educate families about end-of-life issues in dementia palliative care, but local adaptation of the booklet content and physician engagement are necessary.

Comme un poème en plusieurs chambres : maisons d'écrivains en France et au Québec

Les plus récentes études sur l'auteur se sont intéressées à plusieurs aspects de sa figure. Elles ont questionné ses représentations dans la fiction. Elles l'ont étudiée comme une fabrication du champ littéraire. Elles ont réfléchi aux croyances et aux mythes dont cette image est porteuse. Elles se sont penchées sur le rapport que les lecteurs entretiennent avec la biographie de l'auteur. Elles ont même cherché à comprendre à quelles conditions un individu en arrive à se dire écrivain. Aucune étude ne s'est toutefois intéressée à la conservation posthume des figures d'auteur par ces fascinants musées que constitue leur maison personnelle, lorsqu'elle est ouverte au public.Dans une perspective chronologique, le premier objectif de la Thèse consiste à situer et à comparer les maisons d'écrivains en France et au Québec. Dans une perspective synchronique, le deuxième objectif est d'étudier les représentations des écrivains que les maisons-musées véhiculent.L'ouverture des premières maisons d'hommes célèbres en Europe à la fin du XIXe siècle est tributaire du culte des grands hommes. La première partie de la Thèse est consacrée à ce phénomène, notamment étudié par Jean-Claude Bonnet. En France, les maisons-musées gagnent en popularité tout au long du XXe siècle et connaissent un âge d'or dans les années 1980 et 1990, sous le coup de politiques gouvernementales qui témoignent désormais d'une conception élargie de la culture. Au Québec, l'émergence du phénomène n'est pas beaucoup plus tardive, mais connait une expansion beaucoup moins importante. La deuxième partie de la Thèse s'intéresse aux politiques culturelles qui favorisent l'ouverture au public de maisons d'écrivains dans ces pays de la Francophonie. Elle présente également les monographies des six maisons d'écrivains qui composent le corpus restreint de la Thèse : en France, la Maison de Balzac à Paris, la Maison de Tante Léonie-Musée Marcel-Proust à Illiers-Combray et la Maison Elsa-Triolet-Aragon à Saint-Amoult-en-Yvelines; au Québec, la Maison Samuel-Bédard-Musée Louis-Hémon à Péribonka, l'Espace Félix-Leclerc à l'île d'Orléans et l'Espace Claude-Henri-Grignon à Saint-Jérome. Enfin, la troisième partie de la Thèse porte sur les représentations des écrivains dans les maisons d'écrivains, en s'intéressant à une particularité importante de ces lieux semi-privés et semi-publics : l'opposition entre familiarité et grandeur sur laquelle ils reposent.

Maison des cheminots, rue Baudin, 19 [rebaptisée rue Pierre Semard, siège de la Fédération des cheminots] : [photographie de presse] / [Agence Rol]

Référence bibliographique : Rol, 56194