- 作者: 陳伯毅 ; 牟中原
- 作者服務機構: 台灣大學化學系
- 中文摘要: We describe a method to calculate the distribution of sizes of fine crystals from pure powder-diffraction profile using a method of maximum entropy (MAXENT). We apply a Monte-Carlo technique of simulated annealing to seek a global minimum of the error surface in fitting this diffraction profile. We consider pure diffraction profile(instrument de-convoluted) of a powder specimen without lattice imperfection to a significant extent. Under these circumstances, the distribution of the pure diffraction profile can be attributed to the distribution of crystallite size. We applied this method to three cases of crystal sizes having a highly inhomogeneous distribution with certain noise-tolerance. The results agree well with synthetic data of diffraction.
- 英文摘要: --
- 中文關鍵字: Powder X-Ray Diffraction; Crystal Size; Maximum Entropy Method; Monte Carlo Simulation
- 英文關鍵字: 粉末X射線繞射;晶體大小;最大熵法;蒙地卡羅模擬