화학공학소재연구정보센터
Materials Science Forum, Vol.404-7, 309-314, 2002
Determination of crystal lattice parameters by the maximum entropy technique
A technique for X-ray diffraction determination of structural parameters (SP) of materials on the basis of the optimized maximum entropy method is proposed. It was tested using a reference quartz sample with known SP. The parameters optimized were the total number of angle's steps of an X-ray diagram, the regularized factor which determined the contribution of noise entropy to the common functional, the step of Lagrange multipliers and the total number of iterations. The technique can be used to estimate the SP of materials within the errors that almost coincide with the SP determined by photo registration. The advantage of this technique are as follows: 1) it can be employed in the precision range of SP determination using spectral lines K(alpha1) and K(alpha2); 2) the SP of materials can be estimated automatically.