79 research outputs found

    Thermodynamics of Na_8 and Na_{20} clusters studied with ab-initio electronic structure methods

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    We study the thermodynamics of Na_8 and Na_{20} clusters using multiple-histogram methods and an ab initio treatment of the valence electrons within density functional theory. We consider the influence of various electron kinetic-energy functionals and pseudopotentials on the canonical ionic specific heats. The results for all models we consider show qualitative similarities, but also significant temperature shifts from model to model of peaks and other features in the specific-heat curves. The use of phenomenological pseudopotentials shifts the melting peak substantially (~ 50--100 K) when compared to ab-initio results. It is argued that the choice of a good pseudopotential and use of better electronic kinetic-energy functionals has the potential for performing large time scale and large sized thermodynamical simulations on clusters.Comment: LaTeX file and EPS figures. 24 pages, 13 figures. Submitted to Phys. Rev.

    Bridge Monitoring System Using IOT

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    In countries like India there is powerful focus on national infrastructure. New bridges are built each year and the maintenance of those bridges is frequently ignored. The present structures uses very complex and excessive fee wired network and it additionally required high upkeep for optical fiber machine. So the primary objective of this task is to build a cheap bridge tracking machine for developing international locations like India. This project aim to simplify the system for selecting bridge tracking devices. Many bridges within the India are obsolete or structurally deficient to safely increase the life of those bridges, inspection would be vital. Bridge engineers have many duties and it's far not possible to expect one to know. Our device will sense the crack inside the bridge and signal might be given to govern room immediately to stop cars

    An orbital-free molecular dynamics study of melting in K_20, K_55, K_92, K_142, Rb_55 and Cs_55 clusters

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    The melting-like transition in potasium clusters K_N, with N=20, 55, 92 and 142, is studied by using an orbital-free density-functional constant-energy molecular dynamics simulation method, and compared to previous theoretical results on the melting-like transition in sodium clusters of the same sizes. Melting in potasium and sodium clusters proceeds in a similar way: a surface melting stage develops upon heating before the homogeneous melting temperature is reached. Premelting effects are nevertheless more important and more easily established in potasium clusters, and the transition regions spread over temperature intervals which are wider than in the case of sodium. For all the sizes considered, the percentage melting temperature reduction when passing from Na to K clusters is substantially larger than in the bulk. Once those two materials have been compared for a number of different cluster sizes, we study the melting-like transition in Rb_55 and Cs_55 clusters and make a comparison with the melting behavior of Na_55 and K_55. As the atomic number increases, the height of the specific heat peaks decreases, their width increases, and the melting temperature decreases as in bulk melting, but in a more pronounced way.Comment: LaTeX file. 6 pages with 17 pictures. Final version with minor change

    Unified representation of fixtures: Clamping, locating and supporting elements in CNC manufacture

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    International audienceA CNC machining operation is the outcome of the application of the integrated capabilities of various resources within the CNC machining centre. Part fixtures, clamping and other location mechanisms are essential subsets of CNC machining resources. Today, various fixturing techniques and attachments available on the market allow manufacturers to enhance their production capability without buying expensive machine tools. This technology rich fixturing domain is detached while representing and exchanging machine tool resource information for making manufacturing decisions. The research work in this paper utilizes the STEP-NC compliant Unified Manufacturing Resource Model (UMRM) for representing fixtures in conjunction with the parent CNC machining centre. Thus UMRM is enhanced in this context to represent various fixtures such as universal vises, chucks, pallets, auxiliary rotary tables among others. The major contribution of this paper is the application of the extension of the UMRM approach for representing fixturing domain, which allows generic modelling of fixtures and loading devices in addition to machine workpiece and process modelling. This would enable the stage of automated process planning and manufacturing. The universal approach in representing resource information allows the data to be utilised for making a wide variety of manufacturing decisions

    Dynamical properties of liquid Al near melting. An orbital-free molecular dynamics study

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    The static and dynamic structure of liquid Al is studied using the orbital free ab-initio molecular dynamics method. Two thermodynamic states along the coexistence line are considered, namely T = 943 K and 1323 K for which X-ray and neutron scattering data are available. A new kinetic energy functional, which fulfills a number of physically relevant conditions is employed, along with a local first principles pseudopotential. In addition to a comparison with experiment, we also compare our ab-initio results with those obtained from conventional molecular dynamics simulations using effective interionic pair potentials derived from second order pseudopotential perturbation theory.Comment: 15 pages, 12 figures, 2 tables, submitted to PR
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