945 resultados para docking simulations


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We perform global linear stability analysis and idealized numerical simulations in global thermal balance to understand the condensation of cold gas from hot/virial atmospheres (coronae), in particular the intracluster medium (ICM). We pay particular attention to geometry (e.g. spherical versus plane-parallel) and the nature of the gravitational potential. Global linear analysis gives a similar value for the fastest growing thermal instability modes in spherical and Cartesian geometries. Simulations and observations suggest that cooling in haloes critically depends on the ratio of the cooling time to the free-fall time (t(cool)/t(ff)). Extended cold gas condenses out of the ICM only if this ratio is smaller than a threshold value close to 10. Previous works highlighted the difference between the nature of cold gas condensation in spherical and plane-parallel atmospheres; namely, cold gas condensation appeared easier in spherical atmospheres. This apparent difference due to geometry arises because the previous plane-parallel simulations focused on in situ condensation of multiphase gas but spherical simulations studied condensation anywhere in the box. Unlike previous claims, our non-linear simulations show that there are only minor differences in cold gas condensation, either in situ or anywhere, for different geometries. The amount of cold gas depends on the shape of tcool/tff; gas has more time to condense if gravitational acceleration decreases towards the centre. In our idealized plane-parallel simulations with heating balancing cooling in each layer, there can be significant mass/energy/momentum transfer across layers that can trigger condensation and drive tcool/tff far beyond the critical value close to 10.

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An elasto-plastic finite element method is developed to predict the residual stresses of thermal spraying coatings with functionally graded material layer. In numerical simulations, temperature sensitivity of various material constants is included and mix

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Fivefold deformation twins were reported recently to be observed in the experiment of the nanocrystalline face-centered-cubic metals and alloys. However, they were not predicted previously based on the molecular dynamics (MD) simulations and the reason was thought to be a uniaxial tension considered in the simulations. In the present investigation, through introducing pretwins in grain regions, using the MD simulations, the authors predict out the fivefold deformation twins in the grain regions of the nanocrystal grain cell, which undergoes a uniaxial tension. It is shown in their simulation results that series of Shockley partial dislocations emitted from grain boundaries provide sequential twining mechanism, which results in fivefold deformation twins. (c) 2006 American Institute of Physics.

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The mechanical deformations of nickel nanowire subjected to uniaxial tensile strain at 300 K are simulated by using molecular dynamics with the quantum corrected Sutten-Chen many-body force field. We have used common neighbor analysis method to investigate the structural evolution of Ni nanowire during the elongation process. For the strain rate of 0.1%/ps, the elastic limit is up to about 11% strain with the yield stress of 8.6 GPa. At the elastic stage, the deformation is carried mainly through the uniform elongation of the distances between the layers (perpendicular to the Z-axis) while the atomic structure remains basically unchanged. With further strain, the slips in the {111} planes start to take place in order to accommodate the applied strain to carry the deformation partially, and subsequently the neck forms. The atomic rearrangements in the neck region result in a zigzag change in the stress-strain curve; the atomic structures beyond the region, however, have no significant changes. With the strain close to the point of the breaking, we observe the formation of a one-atom thick necklace in Ni nanowire. The strain rates have no significant effect on the deformation mechanism, but have some influence on the yield stress, the elastic limit, and the fracture strain of the nanowire.

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Stochastic characteristics prevail in the process of short fatigue crack progression. This paper presents a method taking into account the balance of crack number density to describe the stochastic behaviour of short crack collective evolution. The results from the simulation illustrate the stochastic development of short cracks. The experiments on two types of steels show the random distribution for collective short cracks with the number of cracks and the maximum crack length as a function of different locations on specimen surface. The experiments also give the variation of total number of short cracks with fatigue cycles. The test results are consistent with numerical simulations.

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Subgrid nonlinear interaction and energy transfer are analyzed using direct numerical simulations of isotropic turbulence. Influences of cutoff wave number at different ranges of scale on the energetics and dynamics have been investigated. It is observed that subgrid-subgrid interaction dominates the turbulent dynamics when cut-off wave number locates in the energy-containing range while resolved-subgrid interaction dominates if it is in the dissipation range; By decomposing the subgrid energy transfer and nonlinear interaction into 'forward' and 'backward' groups according to the sign of triadic interaction, we find that individually each group has very large contribution, but the net of them is much smaller, implying that tremendous cancellation happens between these two groups.

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Numerical simulation of an oil slick spreading on still and wavy surfaces is described in this paper. The so-called sigma transformation is used to transform the time-varying physical domain into a fixed calculation domain for the water wave motions and, at the same time, the continuity equation is changed into an advection equation of wave elevation. This evolution equation is discretized by the forward time and central space scheme, and the momentum equations by the projection method. A damping zone is set up in front of the outlet boundary coupled with a Sommerfeld-Orlanski condition at that boundary to minimize the wave reflection. The equations for the oil slick are depth-averaged and coupled with the water motions when solving numerically. As examples, sinusoidal and solitary water waves, the oil spread on a smooth plane and on still and wavy water surfaces are calculated to examine the accuracy of simulating water waves by Navier-Stokes equations, the effect of damping zone on wave reflection and the precise structures of oil spread on waves.

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Three analytical double-parameter criteria based on a bending model and a two-dimensional finite element analysis model are presented for the modeling of ductile thin film undergoing a nonlinear peeling process. The bending model is based on different governing parameters: (1) the interfacial fracture toughness and the separation strength, (2) the interfacial fracture toughness and the crack tip slope angle, and (3) the interfacial fracture toughness and the critical Mises effective strain of the delaminated thin film at the crack tip. Thin film nonlinear peeling under steady-state condition is solved with the different governing parameters. In addition, the peeling test problem is simulated by using the elastic-plastic finite element analysis model. A critical assessment of the three analytical bending models is made by comparison of the bending model solutions with the finite element analysis model solutions. Furthermore, through analyses and comparisons for solutions based on both the bending model and the finite element analysis model, some connections between the bending model and the finite element analysis model are developed. Moreover, in the present research, the effect of different selections for cohesive zone shape on the ductile film peeling solutions is discussed.

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3D thermo-electro-mechanical device simulations are presented of a novel fully CMOS-compatible MOSFET gas sensor operating in a SOI membrane. A comprehensive stress analysis of a Si-SiO2-based multilayer membrane has been performed to ensure a high degree of mechanical reliability at a high operating temperature (e.g. up to 400°C). Moreover, optimisation of the layout dimensions of the SOI membrane, in particular the aspect ratio between the membrane length and membrane thickness, has been carried out to find the best trade-off between minimal device power consumption and acceptable mechanical stress.

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This paper describes coupled-effect simulations of smart micro gas-sensors based on standard BiCMOS technology. The smart sensor features very low power consumption, high sensitivity and potential low fabrication cost achieved through full CMOS integration. For the first time the micro heaters are made of active CMOS elements (i.e. MOSFET transistors) and embedded in a thin SOI membrane consisting of Si and SiO2 thin layers. Micro gas-sensors such as chemoresistive, microcalorimeteric and Pd/polymer gate FET sensors can be made using this technology. Full numerical analyses including 3D electro-thermo-mechanical simulations, in particular stress and deflection studies on the SOI membranes are presented. The transducer circuit design and the post-CMOS fabrication process, which includes single sided back-etching, are also reported.

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This paper describes a new generation of integrated solid-state gas-sensors embedded in SOI micro-hotplates. The micro-hotplates lie on a SOI membrane and consist of MOSFET heaters that elevate the operating temperature, through self-heating, of a gas sensitive material. These sensors are fully compatible with SOI CMOS or BiCMOS technologies, offer ultra-low power consumption (under 100 mW), high sensitivity, low noise, low unit cost, reproducibility and reliability through the use of on-chip integration. In addition, the new integrated sensors offer a nearly uniform temperature distribution over the active area at its operating temperatures at up to about 300-350°C. This makes SOI-based gas-sensing devices particularly attractive for use in handheld battery-operated gas monitors. This paper reports on the design of a chemo-resistive gas sensor and proposes for the first time an intelligent SOI membrane microcalorimeter using active micro-FET heaters and temperature sensors. A comprehensive set of numerical and analogue simulations is also presented including complex 2D and 3D electro-thermal numerical analyses. © 2001 Elsevier Science B.V. All rights reserved.

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This paper describes multiple field-coupled simulations and device characterization of fully CMOS-MEMS-compatible smart gas sensors. The sensor structure is designated for gas/vapour detection at high temperatures (>300 °C) with low power consumption, high sensitivity and competent mechanic robustness employing the silicon-on-insulator (SOI) wafer technology, CMOS process and micromachining techniques. The smart gas sensor features micro-heaters using p-type MOSFETs or polysilicon resistors and differentially transducing circuits for in situ temperature measurement. Physical models and 3D electro-thermo-mechanical simulations of the SOI micro-hotplate induced by Joule, self-heating, mechanic stress and piezoresistive effects are provided. The electro-thermal effect initiates and thus affects electronic and mechanical characteristics of the sensor devices at high temperatures. Experiments on variation and characterization of micro-heater resistance, power consumption, thermal imaging, deformation interferometry and dynamic thermal response of the SOI micro-hotplate have been presented and discussed. The full integration of the smart gas sensor with automatically temperature-reading ICs demonstrates the lowest power consumption of 57 mW at 300 °C and fast thermal response of 10 ms. © 2008 IOP Publishing Ltd.

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The teracluster LSSC-II installed at the State Key Laboratory of Scientific and Engineering Computing, Chinese Academy of Sciences is one of the most powerful PC clusters in China. It has a peek performance of 2Tflops. With a Linpack performance of 1.04Tflops, it is ranked at the 43rd place in the 20th TOP500 List (November 2002), 51st place in the 21st TOP500 List (June 2003), and the 82nd place in the 22nd TOP500 List (November 2003) with a new Linpack performance of 1.3Tflops. In this paper, we present some design principles of this cluster, as well as its applications in some largescale numerical simulations.