Structure simulation models using Subject

Having previously introduced the key methods to determine the important variables with respect to stress and strength distributions, the most acceptable way to predict mechanical component reliability is by applying SSI theory (Dhillon, 1980). SSI analysis is one of the oldest methods to assess structural reliability, and is the most commonly used method because of its simplicity, ease and economy (Murty and Naikan, 1997 Sundararajan and Witt, 1995). It is a practical engineering tool used for quantitatively predicting the reliability of mechanical components subjected to mechanical loading (Sadlon, 1993) and has been described as a simulative model of failure (Dasgupta and Pecht, 1991). 

This paper presents the combined experimental/numerical investigation of the behaviour of fluid-filled plastic containers subjected to drop impact. Drop Impact experiments were conducted on original and modified bottles. During the test, strain and pressure histories were recorded at various positions. Tests were simulated numerically using the two-system FSI model. Both solid and fluid domains remain fixed during the calculations, i.e. a small-strain analysis was performed for the solid while an Eulerian fi-ame of reference was used for the fluid. This procedure was found to be simple, stable and efficient. Numerical results agreed well with experimental data, demonstrating the capability of the code to cope with this complex fluid-structure interaction problem. 

Although FEP is mostly useful for binding type of simulations rather than chemical reactions, it can be valuable for reduction potential and pKa calculations, which are of interest from many perspectives. For example, prediction of reliable pKa values of key groups can be used as a criterion for establishing a reliable microscopic model for complex systems. Technically, FEP calculation with QM/MM potentials is complicated by the fact that QM potentials are non-seperable [78], When the species subject to perturbation (A B) differ mainly in electronic structure but similar in nuclear connectivity (e.g., an oxidation-reduction pair), we find it is beneficial to use the same set of nuclear geometry for the two states [78], i.e., the coupling potential function has the form,... 

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