非晶铁中位形熵与信息维的压力响应

PRESSURE RESPONES OF CONFIGURATION ENTROPY AND INFORMATION DIMENSION IN AMORPHOUS IRON

本文分析了非晶铁模型中原子能量分布的信息维和位形熵随压力的变化。计算了原子相互作用能的粒子数分布,将其分布的信息维作为非晶态位形熵的度量。计算结果表明,原子能量分布曲线和位形熵与统计时所取能量间隔有关;位形熵与能量间隔之间具有分形标度关系。用介于由能量间隔的下截止限和上截止限所确定的无标度区内的平均值表示各压力下的位形熵。模拟结果表明,原子能量分布的信息维是描述非晶系统无序状态的另一有效参量;压力对非晶金属结构无序及分维值的影响呈较复杂的波动变化趋势。

The pressure respones of Configuration entropy and information dimension of atomic energy distribution in amorphous iron is aralysed We calculate the particle number distribution of atomic energy, and take the information entropy of it as the configuration entropy of the amorphous structure. The calculated results suggest that the atomic energy distribution curve and the configuration entropy are relate to the energy interual in statistics, e. g. , there is a fractal scaling ruler between configuration entropy and the interval. The configuration entropy is determined by the average value of it in no scaling distribution range of atomic energy between lower bound and upper bound. The results of simulation indicate that information dimension is another efficient parameter to describe the degree of disorder in amorphous system, and the effects of pressure on fractal dimension and the degree of structural disorder in amouphous structure show complicated behavior.