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A class of special periodic windows in coupled Logistic lattice and its bifurcation behaviors versus the coupling strength are investigated, The system has long chaotic transient and the average transient length increases exponentially with respect to the system size. 相似文献
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液铜快速冷却过程微观结构演变的计算机模拟 总被引:2,自引:0,他引:2
利用计算机模拟了在周期性边界条件下由500个原子构成的液态Cu模型系统以 4.2 * 10~(13) K/s的速率快速凝固的全过程。模拟在FS相互作用势的基础上,通 过双体分布函数、键对分析技术、键取向序等多种方法,对液Cu快冷凝固过程的微 观结构转变特性作了分析,给出了连续快速冷凝过程中液Cu原子间依靠相互作用力 形成的独特的微观结构图像。模拟结果重现了实验值,且表明在快速冷却过程中液 Cu没有形成body center cubic结构的倾向。 相似文献
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In this paper, we present a computational study of L-serine using ab initio
molecular dynamics simulation based on density functional theory (DFT)
within the ultrasoft pseudopotentials and generalized-gradient
approximation. Taking into account the intermolecular interactions, we can
indeed simulate the features of the experimental results very well for
L-serine zwitterions in its solid state. The vibrational spectrum of
L-serine performed by DFT was in excellent agreement with our previous
inelastic incoherent neutron scattering spectra measured at 20K for
L-serine in the 10--200meV region on HET spectrometers at ISIS, Rutherford
Appleton Laboratory. 相似文献
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