Mean-field Density Functional Theory of a Three-Phase Contact Line

A three-phase contact line in a three-phase fluid system is modeled by a mean-field density functional theory. We use a variational approach to find the Euler-Lagrange equations. Analytic solutions are obtained in the two-phase regions at large distances from the contact line. We employ a triangular grid and use a successive over-relaxation method to find numerical solutions in the entire domain for the special case of equal interfacial tensions for the two-phase interfaces. We use the Kerins-Boiteux formula to obtain a line tension associated with the contact line. This line tension turns out to be negative. We associate line adsorption with the change of line tension as the governing potentials change.Comment: 14 pages, 13 figures, submitted to PR

Stable Isotope Records from Mount Logan, Eclipse Ice Cores and Nearby Jellybean Lake. Water Cycle of the North Pacific Over 2000 Years and Over Five Vertical Kilometres: Sudden Shifts and Tropical Connections

Three ice cores recovered on or near Mount Logan, together with a nearby lake record (Jellybean Lake), cover variously 500 to 30 000 years. This suite of records offers a unique view of the lapse rate in stable isotopes from the lower to upper troposphere. The region is climatologically important, being beside the Cordilleran pinning-point of the Rossby Wave system and the Aleutian Low. Comparison of stable isotope series over the last 2000 years and model simulations suggest sudden and persistent shifts between modern (mixed) and zonal flow regimes of water vapour transport to the Pacific Northwest. The last such shift was in A.D. 1840. Model simulations for modern and “pure” zonal flow suggest that these shifts are consistent regime changes between these flow types, with predominantly zonal flow prior to ca. A.D. 1840 and modern thereafter. The 5.4 and 0.8 km asl records show a shift at A.D. 1840 and another at A.D. 800. It is speculated that the A.D. 1840 regime shift coincided with the end of the Little Ice Age and the A.D. 800 shift with the beginning of the European Medieval Warm Period. The shifts are very abrupt, taking only a few years at most.Trois carottes de glace prélevées à proximité du mont Logan, combinées à une coupe stratigraphique du lac Jellybean, couvrent une période comprise entre 500 et 30 000 ans. Elles renseignent sur les taux de changement de la composition isotopique de la troposphère. La région étudiée est importante au niveau climatologique puisqu’elle est au point de convergence des ondes de Rossby et de la dépression des Aléoutiennes. La comparaison entre la composition isotopique depuis 2000 ans et les résultats des simulations suggère des changements brusques et persistants entre les régimes de transport de vapeur d’eau modernes et zonaux dans le nord-est du Pacifique, où le dernier changement s’est produit en 1840 de notre ère. Les simulations indiquent que les changements de flux correspondent aux changements de régime, avec un flux zonal avant ca 1840 pour passer au type moderne ensuite. Les forages à 5,4 et 0,8 km d’altitude montrent un changement en A.D. 1840 et un autre en l’an 800. On présume que ces changements de régime coïncident respectivement avec la fin du Petit Âge Glaciaire et le début de la période médiévale chaude, ces changements s’étant produits en quelques années seulement

The clean conscience at work: Emotions, intuitions and morality

How do people decide what is right and wrong, and to what extent are their actions guided by such moral considerations? Inspired by philosophical traditions, early approaches to morality focused on rationality, and assumed that people arrive at moral standards by logical thought. More recently, however, psychologists have explored the influence of emotions and intuitions on morality, and evidence has been accumulating that moral decisions and behaviors are far from rational, but instead, are guided by intuitions and situational considerations. For example, seemingly irrelevant concerns such as keeping one’s mind and spirit clean and pure can change people’s moral judgment. Emotions can also influence behavior, and positive, uplifting emotions such as elevation and gratitude can be harnessed to produce beneficial outcomes for individuals and organizations alike. Furthermore, people appear to aspire to an equilibrium of moral self-worth, and engage in more or less ethical behavior depending on their currently perceived moral integrity. Thus, morality and ethical behavior is less likely to reside in the person than in the context, and thus, for the study of spirituality, it might be beneficial to focus on people’s situational constraints in the workplace rather than their stable dispositions. Further, because of their potential to inspire positive action, organizations might aim to make positive moral emotions, such as gratitude, elevation, and awe part of everyday work contexts. Overall, in organizations and the workplace, the goal shifts from trying to identify the moral individual to providing the contextual conditions that appeal to spiritual concerns in order to foster moral behavior.</jats:p

Complexity Theory for a New Managerial Paradigm: A Research Framework

In this work, we supply a theoretical framework of how organizations can embed complexity management and sustainable development into their policies and actions. The proposed framework may lead to a new management paradigm, attempting to link the main concepts of complexity theory, change management, knowledge management, sustainable development, and cybernetics. We highlight how the processes of organizational change have occurred as a result of the move to adapt to the changes in the various global and international business environments and how this transformation has led to the shift toward the present innovation economy. We also point how organizational change needs to deal with sustainability, so that the change may be consistent with present needs, without compromising the future

The epitaxy of 2D materials growth

Two dimensional (2D) materials consist of one to a few atomic layers, where the intra-layer atoms are chemically bonded and the atomic layers are weakly bonded. The high bonding anisotropicity in 2D materials make their growth on a substrate substantially different from the conventional thin film growth. Here, we proposed a general theoretical framework for the epitaxial growth of a 2D material on an arbitrary substrate. Our extensive density functional theory (DFT) calculations show that the propagating edge of a 2D material tends to align along a high symmetry direction of the substrate and, as a conclusion, the interplay between the symmetries of the 2D material and the substrate plays a critical role in the epitaxial growth of the 2D material. Based on our results, we have outlined that orientational uniformity of 2D material islands on a substrate can be realized only if the symmetry group of the substrate is a subgroup of that of the 2D material. Our predictions are in perfect agreement with most experimental observations on 2D materials&apos; growth on various substrates known up to now. We believe that this general guideline will lead to the large-scale synthesis of wafer-scale single crystals of various 2D materials in the near future. Advances in our ability to manipulate genetics leads to deeper understanding of biological systems. In this perspective, the authors argue that synthetic genomics facilitates complex modifications that open up new areas of research

Sferična kristalizacija zdravilnih učinkovin

Spherical crystallization of drugs is the process of obtaining larger particles by agglomeration during crystallization. The most common techniques used to obtain such particles are spherical agglomeration and quasi-emulsion solvent diffusion. Ammonia diffusion systems and crystallo-co-agglomeration are extensions of these techniques. By controlling process parameters during crystallization, such as temperature, stirring rate, type and amount of solvents, or excipient selection, it is possible to control the formation of agglomerates and obtain spherical particles of the desired size, porosity, or hardness. Researchers have reported that the particles produced have improved micromeritic, physical, and mechanical properties, which make them suitable for direct compression. In some cases, when additional excipients are incorporated during spherical crystallization, biopharmaceutical parameters including the bioavailability of drugs can also be tailored.Sferična kristalizacija je postopek izdelave večjih delcev z aglomeracijo manjših med samo kristalizacijo. Najpogosteje uporabljeni tehniki za izdelavo takšnih delcev sta sferična aglomeracija in kvaziemulzija z difuzijo topila. Sistem z difuzijo amoniaka in kristalo-ko-aglomeracija sta razširitvi teh dveh metod. Z nadzorovanjem procesnih parametrov med kristalizacijo, kot sta temperatura in hitrost mešanja, z izbiro lastnosti in množine topil ter z izbiro pomožnih snovi, lahko vplivamo na nastanek aglomeratov in izdelamo sferične delce želenih velikosti, primerne poroznosti ali trdote. Raziskovalci poročajo, da imajo izdelani delci izboljšane pretočne lastnosti, izboljšane druge fizikalne in mehanske lastnosti zaradi česar so primerni za direktno tabletiranje. V nekaterih primerih lahko ob vgradnji ustreznih pomožnih snovi, ki jih dodamo med procesom sferične kristalizacije, izboljšamo tudi biofarmacevtske lastnosti zdravilnih učinkovin vključno s povečanjem biološke uporabnosti

Analytic Solution for a Non-Axisymmetric Isothermal Dendrite

The Ivantsov solution for an isothermal paraboloid of revolution growing into a pure, supercooled melt provides a relation between the bulk supercooling and a dimensionless product (the Peclet number P ) of the growth velocity and tip radius of a dendrite. Horvay and Cahn generalized this axisymmetric analytical solution to a paraboloid with elliptical cross-section. They found that as the deviation of the dendrite cross-section from a circle increases, the two-fold symmetry of the interface shape causes a systematic deviation from the supercooling/Peclet number relation of the Ivantsov solution. To model dendritic growth in cubic materials, we find approximate solutions for paraboloids having perturbations with four-fold axial asymmetry. These solutions are valid through second order in the perturbation amplitude, and provide self-consistent corrections through this order to the supercooling/Peclet number relation of the Ivantsov solution. Glicksman and colleagues have measured the sh..

Thermodynamically-consistent phase-field models for solidification

In an effort to unify the various phase-field models that have been used to study solidification, we have developed a class of phase-field models for crystallization of a pure substance from its melt. These models are based on an entropy functional, as in the treatment of Penrose and Fife, and are therefore thermodynamically consistent inasmuch as they guarantee spatially local positive entropy production. General conditions are developed to ensure that the phase field takes on constant values in the bulk phases. Specific forms of a phase-field function are chosen to produce two models that bear strong resemblances to the models proposed by Langer and Kobayashi. Our models contain additional nonlinear functions of the phase field that are necessary to guarantee thermodynamic consistency