A numerical simulation method based on inverse discrete Fourier transform(IDFT)is presented for generating Gaussian rough surface with a desired autocorrelation function(ACF). The probability density function of the h...A numerical simulation method based on inverse discrete Fourier transform(IDFT)is presented for generating Gaussian rough surface with a desired autocorrelation function(ACF). The probability density function of the height distribution of the generated Gaussian surface and the root-mean-square height of the rough surface are also considered. It is found that the height distribution of the generated surface follows the Gaussian distribution, the deviation of the root-mean-square height of the modeled rough surface from the desired value is smaller than that of Patir's method, and the autocorrelation function of the modeled surface is also in good agreement with the desired autocorrelation function. Compared with Patir's method, the modeled surface generated by the IDFT method is in better agreement with the desired autocorrelation function, especially when the correlation length is relatively large.展开更多
The existence of nanographene in cluster form is discussed in organic solvents. Theories are developed based on the columnlet, bundlet and droplet models describing the size-distribution functions. Phenomena present a...The existence of nanographene in cluster form is discussed in organic solvents. Theories are developed based on the columnlet, bundlet and droplet models describing the size-distribution functions. Phenomena present a unified explanation in the columnlet model in which free energy of Cgraphene involved in cluster is combined from a volume part proportional to the number of molecules n in cluster and a constant. The columnlet model enables describing distribution function of Cgraphene clusters by size. From purely geometrical considerations the columnlet （Cgraphene）, bundlet （single-wall carbon nanotube）, CNT （carbon nanotube）, SWNT （single-wall C-nanotube）, and carbon nanobud, CNB （carbon nanobud）） and droplet （fullerene） models predict dissimilar behaviours. The interaction-energy parameters of Cgraphene are taken from C60. An CNB behaviour or further is expected. The decay of solubility with rising temperature is smaller for Cgraphene than for SWNT and CNB and, furthermore, than for C60, in agreement with lesser numbers of units in Cgraphene clusters. The discrepancy between the experimental data of the heat of solution of fullerenes, CNTs, CNBs and graphenes is ascribed to the sharp concentration dependence of the heat of solution. The diffusion coefficient drops with temperature result greater for Cgraphene than CNB and SWNT than C60 corresponding to lesser number of units in clusters. The aggregates near （C60）13, SWNT/CNB7 and （Cgraphene）3 could be representative of the droplet, bundlet and columnlet models.展开更多
基金Supported by the National Basic Research Program of China("973"Program,No.2013CB632305)
文摘A numerical simulation method based on inverse discrete Fourier transform(IDFT)is presented for generating Gaussian rough surface with a desired autocorrelation function(ACF). The probability density function of the height distribution of the generated Gaussian surface and the root-mean-square height of the rough surface are also considered. It is found that the height distribution of the generated surface follows the Gaussian distribution, the deviation of the root-mean-square height of the modeled rough surface from the desired value is smaller than that of Patir's method, and the autocorrelation function of the modeled surface is also in good agreement with the desired autocorrelation function. Compared with Patir's method, the modeled surface generated by the IDFT method is in better agreement with the desired autocorrelation function, especially when the correlation length is relatively large.
文摘The existence of nanographene in cluster form is discussed in organic solvents. Theories are developed based on the columnlet, bundlet and droplet models describing the size-distribution functions. Phenomena present a unified explanation in the columnlet model in which free energy of Cgraphene involved in cluster is combined from a volume part proportional to the number of molecules n in cluster and a constant. The columnlet model enables describing distribution function of Cgraphene clusters by size. From purely geometrical considerations the columnlet （Cgraphene）, bundlet （single-wall carbon nanotube）, CNT （carbon nanotube）, SWNT （single-wall C-nanotube）, and carbon nanobud, CNB （carbon nanobud）） and droplet （fullerene） models predict dissimilar behaviours. The interaction-energy parameters of Cgraphene are taken from C60. An CNB behaviour or further is expected. The decay of solubility with rising temperature is smaller for Cgraphene than for SWNT and CNB and, furthermore, than for C60, in agreement with lesser numbers of units in Cgraphene clusters. The discrepancy between the experimental data of the heat of solution of fullerenes, CNTs, CNBs and graphenes is ascribed to the sharp concentration dependence of the heat of solution. The diffusion coefficient drops with temperature result greater for Cgraphene than CNB and SWNT than C60 corresponding to lesser number of units in clusters. The aggregates near （C60）13, SWNT/CNB7 and （Cgraphene）3 could be representative of the droplet, bundlet and columnlet models.
