Conformational Mechanics of Polymer Adsorption Transitions at Attractive Substrates

Conformational phases of a semiflexible off-lattice homopolymer model near an attractive substrate are investigated by means of multicanonical computer simulations. In our polymer-substrate model, nonbonded pairs of monomers as well as monomers and the substrate interact via attractive van der Waals forces. To characterize conformational phases of this hybrid system, we analyze thermal fluctuations of energetic and structural quantities, as well as adequate docking parameters. Introducing a solvent parameter related to the strength of the surface attraction, we construct and discuss the solubility-temperature phase diagram. Apart from the main phases of adsorbed and desorbed conformations, we identify several other phase transitions such as the freezing transition between energy-dominated crystalline low-temperature structures and globular entropy-dominated conformations.Comment: 13 pages, 15 figure

Application of the multi distribution function lattice Boltzmann approach to thermal flows

Numerical methods able to model high Rayleigh (Ra) and high Prandtl (Pr) number thermal convection are important to study large-scale geophysical phenomena occuring in very viscous fluids such as magma chamber dynamics (104 < Pr < 107 and 107 < Ra < 1011). The important variable to quantify the thermal state of a convective fluid is a generalized dimensionless heat transfer coefficient (the Nusselt number) whose measure indicates the relative efficiency of the thermal convection. In this paper we test the ability of Multi-distribution Function approach (MDF) Thermal Lattice Boltzmann method to study the well-established scaling result for the Nusselt number (Nu ∝ Ra 1/3) in Rayleigh Bénard convection for 104 ≤ Ra ≤ 109 and 101 ≤ Pr ≤ 104. We explore its main drawbacks in the range of Pr and Ra number under investigation: (1) high computational time N c required for the algorithm to converge and (2) high spatial accuracy needed to resolve the thickness of thermal plumes and both thermal and velocity boundary layer. We try to decrease the computational demands of the method using a multiscale approach based on the implicit dependence of the Pr number on the relaxation time, the spatial and temporal resolution characteristic of the MDF thermal mode

Quantum cosmology with a curvature squared action

The correct quantum description for a curvature squared term in the action can be obtained by casting the action in the canonical form with the introduction of a variable which is the negative of the first derivative of the field variable appearing in the action, only after removing the total derivative terms from the action. We present the Wheeler-DeWitt equation and obtain the expression for the probability density and current density from the equation of continuity. Furthermore, in the weak energy limit we obtain the classical Einstein equation. Finally we present a solution of the wave equation.Comment: 8 pages, revte

Inertial and Magnetic Posture Tracking for Inserting Humans Into Networked Virtual Environments

Proceedings of ACM Symposium on Virtual Reality Software & Technology (VRST 2001), Banff, Alberta, Canada, 15 - 17 November 2001, pp.9-16.Accepted/Published Conference Pape

Quantum limit transport and destruction of the Weyl nodes in TaAs

Weyl fermions are a new ingredient for correlated states of electronic matter. A key difficulty has been that real materials also contain non-Weyl quasiparticles, and disentangling the experimental signatures has proven challenging. We use magnetic fields up to 95 tesla to drive the Weyl semimetal TaAs far into its quantum limit (QL), where only the purely chiral 0th Landau levels (LLs) of the Weyl fermions are occupied. We find the electrical resistivity to be nearly independent of magnetic field up to 50 tesla: unusual for conventional metals but consistent with the chiral anomaly for Weyl fermions. Above 50 tesla we observe a two-order-of-magnitude increase in resistivity, indicating that a gap opens in the chiral LLs. Above 80 tesla we observe strong ultrasonic attenuation below 2 kelvin, suggesting a mesoscopically-textured state of matter. These results point the way to inducing new correlated states of matter in the QL of Weyl semimetals

Eruption of Shallow Crystal Cumulates during Explosive Phonolitic Eruptions on Tenerife, Canary Islands

The recent eruptive history on the island of Tenerife is characterized in part by the presence of zoned phonolitic ignimbrites, some of which prominently display two types of juvenile clasts (i.e. light-colored, aphyric pumices alongside darker, more crystal-rich pumices, here dubbed ‘crystal-poor' and ‘crystal-rich', respectively). Petrographic observation of the crystal-rich pumices reveals intensely resorbed and intergrown mineral textures, consistent with the system reaching a high crystallinity, followed by perturbation and remobilization prior to eruption. Some trace elements show anomalous concentrations in such crystal-rich pumices (e.g. bulk Ba > 2000 ppm alongside low Zr and a positive Eu anomaly) indicative of crystal accumulation (of feldspar ± biotite). Many biotite and feldspar crystals are reversely zoned, with rim concentrations that are high in Ba but low in Sr, implying crystallization from an ‘enriched' melt, potentially derived from remobilization by partial melting of the aforementioned cumulate zones. Given (1) the presence of cumulates in the eruptive record on Tenerife and a bimodality of pumice textures, (2) the presence of three dominant compositions (basanite, phonotephrite, phonolite, separated by compositional gaps) in the volcanic record, and (3) abundant support for crystal fractionation as the dominant drive for magmatic evolution in Tenerife, it is hypothesized that crystal-poor magmas are extracted from mushy reservoirs in both the lower and upper crust. The thermodynamic software MELTS is used to test a polybaric differentiation model whereby phonolites (sensu lato) are generated by extraction of residual liquids from an intermediate-crystallinity phonotephritic mush in the upper crust, which is in turn generated from the residual liquids of an intermediate-crystallinity basanitic mush at deeper levels. Latent heat spikes following crystallization of successive phases in the upper crustal reservoir provide a thermal buffering mechanism to slow down cooling and crystallization, permitting enhanced melt extraction at a particular crystallinity interval (mostly ∼40-60 vol. % crystals). MELTS modeling typically fits the observed chemical data adequately, although some major elements (mostly Al2O3) also indicate partial ‘cannibalization' of feldspar along with some magma mixing (and potentially minor crustal contamination

Quantitative analysis of shadow X-ray Magnetic Circular Dichroism Photo-Emission Electron Microscopy

Shadow X-ray Magnetic Circular Dichroism Photo-Emission Electron Microscopy (XMCD-PEEM) is a recent technique, in which the photon intensity in the shadow of an object lying on a surface, may be used to gather information about the three-dimensional magnetization texture inside the object. Our purpose here is to lay the basis of a quantitative analysis of this technique. We first discuss the principle and implementation of a method to simulate the contrast expected from an arbitrary micromagnetic state. Text book examples and successful comparison with experiments are then given. Instrumental settings are finally discussed, having an impact on the contrast and spatial resolution : photon energy, microscope extraction voltage and plane of focus, microscope background level, electric-field related distortion of three-dimensional objects, Fresnel diffraction or photon scattering

Contact angles mediate equilibrium fractionation between soil water and water vapor

Soil water potential is a function of grain size, adhesion and cohesion energy. The mechanical equilibrium between the interfacial free energies between water-gas, water-solid and solid-gas, leads to a particular contact angle at the three phase boundary water-solid-gas. The contact angle of the solid-soil affects the water retention in soils. Contact angles &gt;0 lead to a shift of the water retention curve to simulating a coarser soil texture. Thus, a certain amount of water is stronger bound in a soil with a low contact angle compared to the same soil with a high contact angle. The relationship between the contact angle and the fractionation of water stable isotopes between soil water and water vapor has yet not been studied. We present a simple laboratory experiment with soil samples ranging from sand to silt to clay. Two subsamples were hydrophobized (or treated with) using dichlorodimethylsilane to produce different contact angles. Subsamples were transferred into Ziploc bags spiked with water of known isotopic composition and the headspace filled with dry air. After equilibration (at least 24h) the headspace was measured for its isotopic signature with a Laserspectrometer. Soil water potential was measured with a soil water potential meter and the contact angle determined with the Wilhelmy-plate-method (WPM). The working hypothesis is that the equilibrium between water and water vapor depends on the matric potential. Having the same pore and the same water content water repellency affects the soil water potential. Therefore the hydrophobized soil will change the equilibrium fractionation between water and water vapor. Hence, the contact angle between adsorbed water and water vapor is related to isotope effects