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In the IR spectrum of silicon crystals two bands are also represented: one about 1670 cm−1, the second in the range of 3400 3800 cm−1, which corresponds to O H bond fluctuations in the water molecules.
However, they neglect specific important features such as hydrogen bond fluctuations at the solute surface, water dipole reorientation in response to conformational changes and bridging water molecules.
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The heterogeneity of local segmental dynamics in a polymer system is analyzed by computer simulation with the Bond Fluctuation Model.
The dependence of the diffusion coefficient, D, of polymer systems on the Dynamically Accessible Volume (DAV) was calculated in the framework of the Bond Fluctuation Model.
The structural relaxation process of an amorphous polymer has been simulated using the Bond Fluctuation Model with a quite simple description of the polymer system.
Cross-linking co-polymerization was studied in the presence of di-, tri- or tetra-functional cross-linkers using the Bond Fluctuation Model (BFM).
Arresting of segmental mobility in polymer systems on cooling from the melt was simulated by means of the Bond Fluctuation Model.
The geometry of the Dynamically Accessible Volume, DAV, in polymeric materials has been observed by means of the Bond Fluctuation Model.
Therefore, the choice in the weighting of these three potentials is a key point to simulate a physical system by using the Bond Fluctuation Model.
The glass transition of linear chain polymers was simulated by means of the bond fluctuation model, employing a Lennard Jones inter-molecular potential and a bond-length intra-molecular potential.
Dynamically accessible volume has been proposed as a universal parameter to explain glass transition, but in the bond fluctuation model it does not give the same value for all simulated glass transitions.
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