Molecular dynamics for fluid mechanics in arbitrary geometries

Simulations of nanoscale systems where fluid mechanics plays an important role are required to help design and understand nano-devices and biological systems. A simulation method which hybridises molecular dynamics (MD) and continuum computational fluid dynamics (CFD) models is able to accurately represent the relevant physical phenomena and be computationally tractable. An MD code has been written to perform MD simulations in systems where the geometry is described by a mesh of unstructured arbitrary polyhedral cells that have been spatially decomposed into irregular portions for parallel processing. The MD code that has been developed may be used for simulations on its own, or may serve as the MD component of a hybrid method. The code has been implemented using OpenFOAM, an open source C++ CFD toolbox (www.openfoam.org). The requirements for two key enabling components are described. 1) Parallel generation of initial configurations of molecules in arbitrary geometries. 2) Calculation of intermolecular pair forces, including between molecules that lie on mesh portions assigned to different, and possibly non-neighbouring processors. A case study of flow in a realistic nanoscale mixing channel, where the geometry is drawn and meshed in engineering CAD tools is simulated to demonstrate the capabilities of the code

Planting on Rural School Grounds

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Bose-Einstein condensate of kicked rotators with time-dependent interaction

A modification of the quantum kicked rotator is suggested with a time-dependent delta-kicked interaction parameter which can be realized by a pulsed turn-on of a Feshbach resonance. The mean kinetic energy increases exponentially with time in contrast to a merely diffusive or linear growth for the first few kicks for the quantum kicked rotator with a constant interaction parameter. A recursive relation is derived in a self-consistent random phase approximation which describes this superdiffusive growth of the kinetic energy and is compared with numerical simulations. Unlike in the case of the quantum rotator with constant interaction, a Lax pair is not found. In general the delta-kicked interaction is found to lead to strong chaotic behaviour.Comment: 4 pages, 3 figure

Study of noise reduction characteristics of double-wall panels

The noise reduction characteristics of general aviation type, flat, double-wall structures were investigated. The experimental study was carried out on 20-by-20 inch panels with an exposed area of 18 by 18 inches. A frequency range from 20 to 5000 Hz was covered. The experimental results, in general, follow the expected trends. At low frequencies the double-wall structures are no better than the single-wall structures. However, for depths normally used in the general aviation industry, the double-wall panels are very attractive. The graphite-spoxy skin panels have higher noise reduction at very low frequencies ( 100 Hz) than the Kevlar skin panels. But the aluminum panels have higher noise reduction in the high frequency region, due to their greater mass. Use of fiberglass insulation is not effective in the low frequency region, and at times it is even negative. But the insulation is effective in the high-frequency region. The theoretical model for predicting the transmission loss of these multilayered panels is also discussed

Nuclear processes associated with plant immunity and pathogen susceptibility

Plants are sessile organisms that have evolved exquisite and sophisticated mechanisms to adapt to their biotic and abiotic environment. Plants deploy receptors and vast signalling networks to detect, transmit and respond to a given biotic threat by inducing properly dosed defence responses. Genetic analyses and, more recently, next-generation -omics approaches have allowed unprecedented insights into the mechanisms that drive immunity. Similarly, functional genomics and the emergence of pathogen genomes have allowed reciprocal studies on the mechanisms governing pathogen virulence and host susceptibility, collectively allowing more comprehensive views on the processes that govern disease and resistance. Among others, the identification of secreted pathogen molecules (effectors) that modify immunity-associated processes has changed the plant–microbe interactions conceptual landscape. Effectors are now considered both important factors facilitating disease and novel probes, suited to study immunity in plants. In this review, we will describe the various mechanisms and processes that take place in the nucleus and help regulate immune responses in plants. Based on the premise that any process required for immunity could be targeted by pathogen effectors, we highlight and describe a number of functional assays that should help determine effector functions and their impact on immune-related processes. The identification of new effector functions that modify nuclear processes will help dissect nuclear signalling further and assist us in our bid to bolster immunity in crop plants

Diurnal variation in harbour porpoise detection – potential implications for management

Peer reviewedPublisher PD

Freezing line of the Lennard-Jones fluid: a Phase Switch Monte Carlo study

We report a Phase Switch Monte Carlo (PSMC) method study of the freezing line of the Lennard-Jones (LJ) fluid. Our work generalizes to soft potentials the original application of the method to hard sphere freezing, and builds on a previous PSMC study of the LJ system by Errington (J. Chem. Phys. {\bf 120}, 3130 (2004)). The latter work is extended by tracing a large section of the Lennard-Jones freezing curve, the results for which we compare to a previous Gibbs-Duhem integration study. Additionally we provide new background regarding the statistical mechanical basis of the PSMC method and extensive implementation details.Comment: 18 pages, 6 figure

Magnetoelectric Jones Dichroism in Atoms

The authors suggest that atomic experiments measuring the interference between magnetic-dipole and electric-field-induced electric-dipole transition amplitudes provide a valuable system to study magnetoelectric Jones effects.Comment: 3 pages, 2 figure