Binding potentials for vapour nanobubbles on surfaces using density functional theory

We calculate density profiles of a simple model fluid in contact with a planar surface using density functional theory (DFT), in particular for the case where there is a vapour layer intruding between the wall and the bulk liquid. We apply the method of Hughes et al. [J. Chem. Phys. 142, 074702 (2015)] to calculate the density profiles for varying (specified) amounts of the vapour adsorbed at the wall. This is equivalent to varying the thickness $h$ of the vapour at the surface. From the resulting sequence of density profiles we calculate the thermodynamic grand potential as $h$ is varied and thereby determine the binding potential as a function of $h$. The binding potential obtained via this coarse-graining approach allows us to determine the disjoining pressure in the film and also to predict the shape of vapour nano-bubbles on the surface. Our microscopic DFT based approach captures information from length scales much smaller than some commonly used models in continuum mechanics.Comment: 15 pages, 15 figure

Intelligent Design: Scientific and Theological Perspectives

This thesis examines the claims of the recently formulated Intelligent Design arguments, particularly in relation to the work of Michael Behe and William Dembski, and considers whether they are acceptable as good science and as good theology. I respond to scientific considerations mainly at the level of the philosophy of science, particularly from David Hume and related commentators such as John Mackie and Elliott Sober. Theological aspects are considered in light of Reformed Calvinism with influence coming from Augustine and Paul. Interestingly, it is also evident that there is an Augustinian influence in the philosophy of science and I will highlight some of this in this thesis, especially with regard to the work of Alvin Plantinga and Michel Polanyi. In chapter two I look at Hume’s Dialogues Concerning Natural Religion and identify various objections raised, for instance by Mackie. In this chapter I then consider the claim that the design argument can only be a weak or remote analogy to human intelligence and offer two ways forward. In chapter three I look more broadly at claims by Michael Ruse that Intelligent Design cannot be good science because it doesn’t follow the rules of methodological naturalism. In response, I consider Plantinga’s claim that Christians can move to Augustinian science and do not need to hold to naturalistic methodology in science. I also consider the thinking of Paul Feyerabend relating to criticism of methodological monism in science because it restricts scientific discovery. I also discuss concerns raised by Imre Lakatos because he believes a degree of dogmatism is necessary in science in order to hold to objective truth and avoid relativism. I then offer some thoughts as to what an Intelligent Design research programme might look like. In the fourth chapter I look at theological aspects of Intelligent Design. I discuss the question of whether it is possible to search for evidence for design apart from revelation and divine grace, and discuss difficulties highlighted by a number of theologians. I then consider the divine action debate in relation to Intelligent Design, and in the final part of the theology chapter examine question of theodicy that arise for Intelligent Design, again in light of Calvinism with its Augustinian-Pauline influence

Treatment Of Hypercholesterolemia With Aluminum Nicotinate*†

Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/111193/1/j.1532-5415.1962.tb03157.x.pd

Films, layers and droplets: The effect of near-wall fluid structure on spreading dynamics

We present a study of the spreading of liquid droplets on a solid substrate at very small scales. We focus on the regime where effective wetting energy (binding potential) and surface tension effects significantly influence steady and spreading droplets. In particular, we focus on strong packing and layering effects in the liquid near the substrate due to underlying density oscillations in the fluid caused by attractive substrate-liquid interactions. We show that such phenomena can be described by a thin-film (or long-wave or lubrication) model including an oscillatory Derjaguin (or disjoining/conjoining) pressure, and explore the effects it has on steady droplet shapes and the spreading dynamics of droplets on both, an adsorption (or precursor) layer and completely dry substrates. At the molecular scale, commonly used two-term binding potentials with a single preferred minimum controlling the adsorption layer height are inadequate to capture the rich behaviour caused by the near-wall layered molecular packing. The adsorption layer is often sub-monolayer in thickness, i.e., the dynamics along the layer consists of single-particle hopping, leading to a diffusive dynamics, rather than the collective hydrodynamic motion implicit in standard thin-film models. We therefore modify the model in such a way that for thicker films the standard hydrodynamic theory is realised, but for very thin layers a diffusion equation is recovered

Films, layers and droplets: The effect of near-wall fluid structure on spreading dynamics

We present a study of the spreading of liquid droplets on a solid substrate at very small scales. We focus on the regime where effective wetting energy (binding potential) and surface tension effects significantly influence steady and spreading droplets. In particular, we focus on strong packing and layering effects in the liquid near the substrate due to underlying density oscillations in the fluid caused by attractive substrate-liquid interactions. We show that such phenomena can be described by a thin-film (or long-wave or lubrication) model including an oscillatory Derjaguin (or disjoining/conjoining) pressure, and explore the effects it has on steady droplet shapes and the spreading dynamics of droplets on both, an adsorption (or precursor) layer and completely dry substrates. At the molecular scale, commonly used two-term binding potentials with a single preferred minimum controlling the adsorption layer height are inadequate to capture the rich behaviour caused by the near-wall layered molecular packing. The adsorption layer is often sub-monolayer in thickness, i.e., the dynamics along the layer consists of single-particle hopping, leading to a diffusive dynamics, rather than the collective hydrodynamic motion implicit in standard thin-film models. We therefore modify the model in such a way that for thicker films the standard hydrodynamic theory is realised, but for very thin layers a diffusion equation is recovered

Preliminary assessment of pre-morbid DNA methylation in individuals at high genetic risk of mood disorders

OBJECTIVES: Accumulating evidence implicates altered DNA methylation in psychiatric disorders, including bipolar disorder (BD) and major depressive disorder (MDD). It is not clear, however, whether these changes are causative or result from illness progression or treatment. To disentangle these possibilities we profiled genome‐wide DNA methylation in well, unrelated individuals at high familial risk of mood disorder. DNA methylation was compared between individuals who subsequently developed BD or MDD [ill later (IL)] and those who remained well [well later (WL)]. METHODS: DNA methylation profiles were obtained from whole‐blood samples from 22 IL and 23 WL individuals using the Infinium HumanMethylation450 BeadChip. Differential methylation was assessed on a single‐locus and regional basis. Pathway analysis was performed to assess enrichment for particular biological processes amongst nominally significantly differentially methylated loci. RESULTS: Although no locus withstood correction for multiple testing, uncorrected P‐values provided suggestive evidence for altered methylation at sites within genes previously implicated in neuropsychiatric conditions, such as Transcription Factor 4 (TCF4) and Interleukin 1 Receptor Accessory Protein‐Like 1 ([IL1RAPL1]; P≤3.11×10(−5)). Pathway analysis revealed significant enrichment for several neurologically relevant pathways and functions, including Nervous System Development and Function and Behavior; these findings withstood multiple testing correction (q≤0.05). Analysis of differentially methylated regions identified several within the major histocompatibility complex (P≤.000 479), a region previously implicated in schizophrenia and BD. CONCLUSIONS: Our data provide provisional evidence for the involvement of altered whole‐blood DNA methylation in neurologically relevant genes in the aetiology of mood disorders. These findings are convergent with the findings of genome‐wide association studies

Convective rear-flank downdraft as driver for meteotsunami along English Channel and North Sea coasts 28–29 May 2017

We examine the physical processes that led to the meteotsunami observed along the English Channel and North Sea coasts on 29 May 2017. It was most notably reported along the Dutch coast, but also observed on tide gauges from the Channel Islands to the coast of Germany, and also those in eastern England. From an assessment of multiple observations, including rain radar, LIDAR, satellite, surface observations and radiosonde reports we conclude that the event was driven by a rear flank downdraft in association with a mesoscale convective system (MCS). This downdraft, from a medium level or elevated MCS, led to a hydrostatically forced internal or ducted gravity wave below the MCS. The gravity wave was manifested by a marked rise and fall in pressure, a meso-high, which then interacted with the sea surface through Proudman resonance causing a measured wave of close to 0.9 m in amplitude, and an estimated wave run-up on Dutch beaches of 2 m. Through examination of existing research, we show that the basic assumptions here relating to the formation of the Dutch meteotsunami are consistent with previously described physical processes, and confirm the correlation between the speed of the ocean wave and medium level steering winds. This raises the possibility that high-resolution, coupled, weather-ocean numerical weather prediction (NWP) models can be utilised to predict future events. However, deterministic high-resolution NWP models still struggle with modelling convective systems with sufficient precision because of the chaotic nature of the atmosphere and incomplete observations. A way forward is proposed here to improve forecasting through post-processing of NWP model output by overlaying medium level wind fields with ocean bathymetry

Rounded layering transitions on the surface of ice

Understanding the wetting properties of premelting films requires knowledge of the film’s equation of state, which is not usually available. Here we calculate the disjoining pressure curve of premelting films, and perform a detailed thermodynamic characterization of premelting behavior on ice. Analysis of the density profiles reveals the signature of weak layering phenomena, from one to two and from two to three water molecular layers. However, disjoining pressure curves, which closely follow expectations from a renormalized mean field liquid state theory, show that there are no layering phase transitions in the thermodynamic sense along the sublimation line. Instead, we find that transitions at mean field level are rounded due to capillary wave fluctuations. We see signatures that true first order layering transitions could arise at low temperatures, for pressures between the metastable line of water/vapor coexistence and the sublimation line. The extrapolation of the disjoining pressure curve above water vapor saturation displays a true first order phase transition from a thin to a thick film consistent with experimental observations