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平衡系ミクロ相分離モルホロジーに焦点を絞り開発された方法である.モノマーを格子点に置き,格子の辺にボンドを這わせる格子モデル(左)は教科書でもお馴染みであろう.対角線法では辺の他に,立方体の面の対角線(長さ )と立方体の対角線(長さ )を用いるという拡張(右)を行う .




A new lattice model for Monte Carlo simulations of dense polymer melts was developed in the spirit of Verdier-Stockmayer local move algorithm. By introducing diagonals of squares and cubes as bonds the lattice model acquires a large number of configurations (entropy), which leads to good statistical properties. Bond directions emanating from one lattice point increase from 6 to 26 , bonds feel low density and move very easily; consequently, we can pack many polymers in a simulation box. In addition, while the method maintains the excluded volume interactions of monomers, it allows bond crossings (peace mark in the figure) and phantom moves, which result in high mobility of polymers.

Although it is a really simple extension of the simplest model, dramatic changes occur!