Diffusion and jump-length distribution in liquid and amorphous Cu33_{33}Zr67_{67}

Using molecular dynamics simulation, we calculate the distribution of atomic jum ps in Cu$_{33}$Zr$_{67}$ in the liquid and glassy states. In both states the distribution of jump lengths can be described by a temperature independent exponential of the length and an effective activation energy plus a contribution of elastic displacements at short distances. Upon cooling the contribution of shorter jumps dominates. No indication of an enhanced probability to jump over a nearest neighbor distance was found. We find a smooth transition from flow in the liquid to jumps in the g lass. The correlation factor of the diffusion constant decreases with decreasing temperature, causing a drop of diffusion below the Arrhenius value, despite an apparent Arrhenius law for the jump probability

DESIGN OF NEW FLUIDIZED BED REACTORS FOR CVD - PROCESSES

A new concept of fluidized bed will be shown which can be used for various gas-tosolids reactions (e.g. chemical vapour deposition (CVD) reactions) with high throughput like the production of new materials. For the design and scale-up of the new bubbling fluidized bed with vertically aligned vertical nozzles the fluid dynamics of the fluidized beds have to be determined and analysed, especially the flow around the gas nozzles. A jet region around a single centrally arranged injector lance in a bubbling fluidized bed reactor is characterized by different parameters like solids concentration and jet gas distribution. It can be shown that – depending on the related parameter – different jet regions are obtained

Survey-based naming conventions for use in OBO Foundry ontology development

A wide variety of ontologies relevant to the biological and medical domains are available through the OBO Foundry portal, and their number is growing rapidly. Integration of these ontologies, while requiring considerable effort, is extremely desirable. However, heterogeneities in format and style pose serious obstacles to such integration. In particular, inconsistencies in naming conventions can impair the readability and navigability of ontology class hierarchies, and hinder their alignment and integration. While other sources of diversity are tremendously complex and challenging, agreeing a set of common naming conventions is an achievable goal, particularly if those conventions are based on lessons drawn from pooled practical experience and surveys of community opinion. We summarize a review of existing naming conventions and highlight certain disadvantages with respect to general applicability in the biological domain. We also present the results of a survey carried out to establish which naming conventions are currently employed by OBO Foundry ontologies and to determine what their special requirements regarding the naming of entities might be. Lastly, we propose an initial set of typographic, syntactic and semantic conventions for labelling classes in OBO Foundry ontologies. Adherence to common naming conventions is more than just a matter of aesthetics. Such conventions provide guidance to ontology creators, help developers avoid flaws and inaccuracies when editing, and especially when interlinking, ontologies. Common naming conventions will also assist consumers of ontologies to more readily understand what meanings were intended by the authors of ontologies used in annotating bodies of data

Reinforcement of wood with natural fibers

This paper describes an experimental programme which examines the reinforcement in flexure of timber beams with composite materials based on natural fibers in the form of fabrics made from hemp, flax, basalt and bamboo fibers. The industrial use of natural fibers has been continuously increasing since 1990s due to their advantages in terms of production costs, pollution emissions and energy consumption for production and disposal. The technique allows the reinforcement of the intrados of beams, avoiding the dismantling of the overlying part of the structure with significant savings in terms of costs and work time. The test program consists of three phases incorporating 45 beams. The bending tests on the wooden elements made it possible to measure the increase in capacity and stiffness resulting from the composite reinforcement. This was applied to beams, creating different arrangements and using different quantities (number of layers). Despite the diversity of the various tests carried out, the results obtained in some cases showed significant increases in terms of load-carrying capacity and in deflection ductility

The Effects of Viscosity on the Linear Stability of Damped Stokes Waves, Downshifting, and Rogue Wave Generation

We investigate a higher order nonlinear Schrodinger equation with linear damping and weak viscosity, recently proposed as a model for deep water waves exhibiting frequency downshifting. Through analysis and numerical simulations, we discuss how the viscosity affects the linear stability of the Stokes wave solution, enhances rogue wave formation, and leads to permanent downshift in the spectral peak. In particular, we study the wave evolution over short-to-moderate time scales, when most rogue wave activity occurs, and explain the transition of the perturbed solution from the initial Benjamin-Feir instability to a predominantly oscillatory behavior. Finally, we determine the mechanism and timing of permanent downshift in the spectral peak and its relation to the location of the global minimum of the momentum and the magnitude of its second derivative

Sparse random matrices and vibrational spectra of amorphous solids

A random matrix approach is used to analyze the vibrational properties of amorphous solids. We investigated a dynamical matrix M=AA^T with non-negative eigenvalues. The matrix A is an arbitrary real NxN sparse random matrix with n independent non-zero elements in each row. The average values =0 and dispersion =V^2 for all non-zero elements. The density of vibrational states g(w) of the matrix M for N,n >> 1 is given by the Wigner quarter circle law with radius independent of N. We argue that for n^2 << N this model can be used to describe the interaction of atoms in amorphous solids. The level statistics of matrix M is well described by the Wigner surmise and corresponds to repulsion of eigenfrequencies. The participation ratio for the major part of vibrational modes in three dimensional system is about 0.2 - 0.3 and independent of N. Together with term repulsion it indicates clearly to the delocalization of vibrational excitations. We show that these vibrations spread in space by means of diffusion. In this respect they are similar to diffusons introduced by Allen, Feldman, et al., Phil. Mag. B 79, 1715 (1999) in amorphous silicon. Our results are in a qualitative and sometimes in a quantitative agreement with molecular dynamic simulations of real and model glasses.Comment: 24 pages, 7 figure

Microscopic dynamics of glycerol in its crystalline and glassy states

The dynamics of crystalline glycerol are studied by means of Raman spectroscopy and lattice dynamics calculations employing a semiflexible model to represent the low-lying molecular vibrations. The latter is validated against structural, thermodynamic, and spectroscopic data. The results serve to set an absolute frequency scale for glassy glycerol, which is also studied by Raman and incoherent inelastic-neutron scattering. Some implications of the present findings regarding ensuing discussions on glassy dynamics are finally commented on.Dirección General de Investigaciones Científicas y Técnicas PB92- 0114-C0

Irreversible reorganization in a supercooled liquid originates from localised soft modes

The transition of a fluid to a rigid glass upon cooling is a common route of transformation from liquid to solid that embodies the most poorly understood features of both phases1,2,3. From the liquid perspective, the puzzle is to understand stress relaxation in the disordered state. From the perspective of solids, the challenge is to extend our description of structure and its mechanical consequences to materials without long range order. Using computer simulations, we show that the localized low frequency normal modes of a configuration in a supercooled liquid are causally correlated to the irreversible structural reorganization of the particles within that configuration. We also demonstrate that the spatial distribution of these soft local modes can persist in spite of significant particle reorganization. The consequence of these two results is that it is now feasible to construct a theory of relaxation length scales in glass-forming liquids without recourse to dynamics and to explicitly relate molecular properties to their collective relaxation.Comment: Published online: 20 July 2008 | doi:10.1038/nphys1025 Available from http://www.nature.com/nphys/journal/v4/n9/abs/nphys1025.htm