Computer Simulation Of Complex System

1.Ordered microstructures assembled from the mixture of the ABC 3-miktoarm star terpolymers and the linear homopolymers have been investigated by using dynamic density functional theory.The simulations reveal that completely different ordered microphase pattern is found with addition of a few percent homopolymers that is identical in component to one of the arms on the ABC 3-miktoarm star terpolymer.For example,the original density pattern of ABC 3-miktoarm star terpolymers with parameters of N_A=N_B=N_C=10 and X_AB=0.90,X_BC=X_CA=0.45 is in a perfectly ordered knitting feature.However,with gradual addition of the linear polymer same as block C on ABC 3-miktoarm star terpolymer into the system,the density patterns evolve with the volume fraction of the linear polymer from the ordered knitting patterns into the hexagonal patterns.Furthermore,with addition of linear polymers same as block A, lamellar microstructure has finally resulted.The simulation points out a way for designing and manufacturing nanomaterials with totally different microstructures.2.The linear homopolymers have been added into a ABC 3-miktoarm star terpolymers system by dynamic density functional theory simulation. The areas of B phase domain and the interval between two nearest neighbour B phase domains shift with the accession of the linear polymer.3.A Petri net model was built to simulate the heat shock response in E.coli.We found several rules in this network by analyzing the simulation results.And we consider the regulation on gene expression ofσ³²should be relevant to network control mechanism.4.The folding process of Honeycutt-Thirumalai model protein chain was simulated with Replica-Exchange Multicanonical Monte Carlo method in a three- dimensional off-lattice model.The results demonstrate that was a two-step folding process according to the Nuclear-Condensation-Growth Model,and the possible conformations of intermediates should include threeβ-sheet segments.The good agreement between the native conformations in simulation and in literature prove the efficiency of our method.