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Kinetic structures for glass transition in a modified 2d Fredrickson model

机译:改进的二维Fredrickson模型中玻璃化转变的动力学结构

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摘要

Butler Harrowell pictures (BHP) are presented for a modified Fredrickson 2d-50 x 50 lattice model in a large temperature interval above and below the onset temperature. The fraction of "mobile" (spin down) sites in equilibrium is also numerically calculated as a function of temperature. The results are discussed with respect to a characteristic length of glass transition and to exhaustion of fluctuating free volume at about half of the onset temperature. The contributions from alpha cooperativity and accidental combinations of local beta modes to the characteristic length cannot clearly be separated from the BHPs alone. Below the a onset temperature a cellular pattern is obtained with less mobile cell walls and islands of mobility within. Comparison with an analytical onset model and with cooperativities from heat capacity spectroscopy experiments on polymers results in the conclusion that one monomeric unit of a real glass former corresponds to an array of several or even many sites. (C) 1998 Elsevier Science B.V. All rights reserved. [References: 24]
机译:提出了Butler Harrowell图片(BHP),用于在高于和低于起始温度的较大温度区间内修改的Fredrickson 2d-50 x 50晶格模型。平衡中“移动”(旋转)位点的比例也根据温度进行数值计算。关于玻璃化转变的特征长度和在约一半的起始温度下耗尽波动的自由体积进行了讨论。 alpha合作性和局部beta模式的偶然组合对特征长度的贡献不能单独与BHP明确分开。在起始温度以下,获得的细胞模式具有较少的活动细胞壁和其中的活动岛。与分析起始模型和聚合物热容光谱实验的协同性进行比较,得出的结论是,真实玻璃形成剂的一个单体单元对应于多个甚至多个位置的阵列。 (C)1998 Elsevier Science B.V.保留所有权利。 [参考:24]

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