75 research outputs found

    Anharmonic transitions in nearly dry L-cysteine I

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    Two special dynamical transitions of universal character have been recently observed in macromolecules at TD180220T_{D}\sim 180 - 220 K and T100T^{*}\sim 100 K. Despite their relevance, a complete understanding of the nature of these transitions and their consequences for the bio-activity of the macromolecule is still lacking. Our results and analysis concerning the temperature dependence of structural, vibrational and thermodynamical properties of the orthorhombic polymorph of the amino acid L-cysteine (at a hydration level of 3.5%) indicated that the two referred temperatures define the triggering of very simple and specific events that govern all the biochemical interactions of the biomolecule: activation of rigid rotors (T<TT<T^{*}), phonon-phonon interactions with phonons of water dimer (T<T<TDT^{*}<T<T_{D}), and water rotational barriers surpassing (T>TDT>T_{D}).Comment: 4 pages, 4 figures, submitted to Physical Review Letter

    Parts verification for multi-level-dependent demand manufacturing systems: a recognition and classification structure

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    This research has developed and implemented a part recognition and classification structure to execute parts verification in a multi-level dependent demand manufacturing system. The part recognition algorithm enables the parent and child relationship between parts to be recognised in a finite-capacitated manufacturing system. This algorithm was developed using SIMAN simulation language and implemented in a multi-level dependent demand manufacturing simulation model. The part classification structure enables the modelling of a multi-level dependent demand manufacturing between parts to be carried out effectively. The part classification structure was programmed using Visual Basic Application (VBA) and was integrated to the work-to-list generated from a simulated MRP model. This part classification structure was then implemented in the multi-level dependent demand manufacturing simulation model. Two stages of implementation, namely parameterisation and execution, of the part recognition and classification structure were carried out. A real case study was used and five detail steps of execution were processed. Simulation experiments and MRP were run to verify and validate the part recognition and classification structure. The results led to the conclusion that implementation of the recognition and classification structure has effectively verified the correct parts and sub-assemblies used for the correct product and order. No parts and sub-assemblies shortages were found, and the quantity required was produced. The scheduled release for some orders was delayed due to overload of the required resources. When the loading is normal, all scheduled release timing is adhered to. The recognition and classification structure has a robust design; hence it can be easily adapted to new systems parameter to study a different or more complex case

    A Model Reference Adaptive Search Method for Global Optimization

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