Modelling Atomic Structure in Amorphous Solids and X-Ray Diffraction

ISBN-13: 9783659235139 / Angielski / Miękka / 2012 / 128 str.

Ruixing Feng

Opis

X-ray diffraction experiments were conducted on Zr base, Fe base, Ge base amorphous metal and several other kinds of amorphous material. On the other hand, computer simulations of X-ray diffraction of these materials were also developed, by means of applying Debye formula and Ehrenfests Formula, on the Ideal Amorphous Model (IAS). The results of the experiments and simulations were compared and analysed; however, although some results had high agreement between experiment and simulation, a portion of materials gave inconsistent results. The reasons of the inconsistency were found and analysed; a further developed X-ray diffraction simulation method was developed by using Generalized Debye Formula; and instead of IAS model, a new and more specific model were obtained, by using new simulation atomic packing technique. Finally, more accurate models were found and Generalized Debye Formula is introduced, which successfully solved the problem of disagreement of experiment and simulation X-ray diffraction results.

O autorze

Ruixing(Andy) Feng, born in 1989, obtained becholar degree from Australian National University, majoring in Materials. Now he is a PhD student in Research School of Physics and Engineering, Australian National University. Research area includes Molecular Dynamics, X-Ray Diffraction Simulation and Analysis, and Semiconducters.