916 resultados para Computational topology
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The three-stage low-pressure model steam turbine at the Institute of Thermal Turbomachinery and Machinery Laboratory (ITSM) was used to study the impact of three different steam inlet temperatures on the homogeneous condensation process and the resulting wetness topology. The droplet spectrum as well as the particle number concentration were measured in front of the last stage using an optical-pneumatic probe. At design load, condensation starts inside the stator of the second stage. A change in the steam inlet temperature is able to shift the location of condensation onset within the blade row up- or downstream and even into adjoining blade passages, which leads to significantly different local droplet sizes and wetness fractions due to different local expansion rates. The measured results are compared to steady three-dimensional computational fluid dynamics calculations. The predicted nucleation zones could be largely confirmed by the measurements. Although the trend of measured and calculated droplet size across the span is satisfactory, there are considerable differences between the measured and computed droplet spectrum and wetness fractions. © IMechE 2013 Reprints and permissions: sagepub.co.uk/ journalsPermissions.nav.
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Underground constructions in soft ground may lead to settlement damage to existing buildings. In The Netherlands the situation is particularly complex, because of the combination of soft soil, fragile pile foundations and brittle, unreinforced masonry façades. The tunnelling design process in urban areas requires a reliable risk damage assessment. In the engineering practice the current preliminary damage assessment is based on the limiting tensile strain method (LTSM). Essentially this is an uncoupled analysis, in which the building is modelled as an elastic beam subject to imposed Greenfield settlements and the induced tensile strains are compared with a limit value for the material. The soil-structure interaction is included only as a ratio between the soil and the building stiffness. In this paper, a coupled approach is evaluated. The soil-structure interaction in terms of normal and shear behaviour is represented by interface elements and a cracking model for masonry is included. This project aims to improve the existing damage classification system for masonry buildings subjected to tunnel-induced settlement, in order to evaluate the necessity of strengthening techniques or mitigation measures.
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Digitization is the main feature of modern Information Science. Conjoining the digits and the coordinates, the relation between Information Science and high-dimensional space is consanguineous, and the information issues are transformed to the geometry problems in some high-dimensional spaces. From this basic idea, we propose Computational Information Geometry (CIG) to make information analysis and processing. Two kinds of applications of CIG are given, which are blurred image restoration and pattern recognition. Experimental results are satisfying. And in this paper, how to combine with groups of simple operators in some 2D planes to implement the geometrical computations in high-dimensional space is also introduced. Lots of the algorithms have been realized using software.
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In this paper, we have carried out a theoretical study on the addition of HCN to methanimine with formamidine or formamide using second-order Moller-Plesset perturbation (MP2) method with 6-31 + G(d,p) basis sets. At MP2 level. a high-energy, intermediate has been located for each pathway. The addition of HCN to methanimine with formamidine has the lowest free energy barrier according to the calculations at MP2 level. (C) 2004 Elsevier B.V. All rights reserved.
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South Central University
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Chain topology strongly affects the static and dynamic properties of polymer melts and polymers in dilute solution. For different chain architectures, such as ring and linear polymers, the molecular size and the diffusion behavior are different. To further understand the chain topology effect on the static and dynamic properties of polymers, we focus on the tadpole polymer which consists of a cyclic chain attached with one or more linear tails. It is found that both the number and the length of linear tails play important roles on the properties of the tadpole polymers in dilute solution. For the tadpole polymers with fixed linear tail length and number, with increasing the degree of polymerization of tadpole polymers, a transition from linear-like to ring-like behavior is observed for both the static and dynamic properties.
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The influence of molecular topology on the structural and dynamic properties of polymer chain in solution with ring structure, three-arm branched structure, and linear structure are studied by molecular dynamics simulation. At the same degree of polymerization (N), the ring-shaped chain possesses the smallest size and largest diffusion coefficient. With increasing N, the difference of the radii of gyration between the three types of polymer chains increases, whereas the difference of the diffusion coefficients among them decreases. However, the influence of the molecular topology on the static and the dynamic scaling exponents is small. The static scaling exponents decrease slightly, and the dynamic scaling exponents increase slightly, when the topology of the polymer chain is changed from linear to ring-shaped or three-arm branched architecture. The dynamics of these three types of polymer chain in solution is Zimm-like according to the dynamic scaling exponents and the dynamic structure factors.
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The study of associations between two biomolecules is the key to understanding molecular function and recognition. Molecular function is often thought to be determined by underlying structures. Here, combining a single-molecule study of protein binding with an energy-landscape-inspired microscopic model, we found strong evidence that biomolecular recognition is determined by flexibilities in addition to structures. Our model is based on coarse-grained molecular dynamics on the residue level with the energy function biased toward the native binding structure ( the Go model). With our model, the underlying free-energy landscape of the binding can be explored. There are two distinct conformational states at the free-energy minimum, one with partial folding of CBD itself and significant interface binding of CBD to Cdc42, and the other with native folding of CBD itself and native interface binding of CBD to Cdc42. This shows that the binding process proceeds with a significant interface binding of CBD with Cdc42 first, without a complete folding of CBD itself, and that binding and folding are then coupled to reach the native binding state.