2 resultados para Molecule manipulation

em Cochin University of Science


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The thesis presents the dynamics of a polymer chain under tension. It includes existing theories of polymer fracture, important theories of reaction rates, the rate using multidimensional transition state theory and apply it to the case of polyethylene etc. The main findings of the study are; the life time of the bond is somewhat sensitive to the potential lead to rather different answers, for a given potential a rough estimate of the rate can be obtained by a simples approximation that considers the dynamics of only the bond that breaks and neglects the coupling to neighboring bonds. Dynamics of neighboring bonds would decrease the rate, but usually not more than by one order of magnitude, for the breaking of polyethylene, quantum effects are important only for temperatures below 150K, the lifetime strongly depends on the strain and as the strain varies over a narrow range, the life varies rapidly from 105 seconds to 10_5 seconds, if we change one unit of the polymer by a foreign atom, say by one sulphure atom, in the main chain itself, by a weaker bond, the rate is found to increase by orders of magnitude etc.

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This thesis is an outcome of the investigations carried out on the development of an Artificial Neural Network (ANN) model to implement 2-D DFT at high speed. A new definition of 2-D DFT relation is presented. This new definition enables DFT computation organized in stages involving only real addition except at the final stage of computation. The number of stages is always fixed at 4. Two different strategies are proposed. 1) A visual representation of 2-D DFT coefficients. 2) A neural network approach. The visual representation scheme can be used to compute, analyze and manipulate 2D signals such as images in the frequency domain in terms of symbols derived from 2x2 DFT. This, in turn, can be represented in terms of real data. This approach can help analyze signals in the frequency domain even without computing the DFT coefficients. A hierarchical neural network model is developed to implement 2-D DFT. Presently, this model is capable of implementing 2-D DFT for a particular order N such that ((N))4 = 2. The model can be developed into one that can implement the 2-D DFT for any order N upto a set maximum limited by the hardware constraints. The reported method shows a potential in implementing the 2-D DF T in hardware as a VLSI / ASIC