Calculation of x-ray spectra for nanocrystalline materials

被引：57

作者：

Derlet, PM ^{[1
]}

Van Petegem, S ^{[1
]}

Van Swygenhoven, H ^{[1
]}

机构：

[1] Paul Scherrer Inst, CH-5232 Villigen, Switzerland

来源：

PHYSICAL REVIEW B | 2005年 / 71卷 / 02期

关键词：

D O I：

10.1103/PhysRevB.71.024114

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The calculation of two-theta x-ray diffraction profiles for multimillion atom computer generated nanocrystalline (nc) Ni systems is presented. Peak profile analysis is performed using a standard Williamson-Hall analysis. The derived mean grain size and root-mean-square inhomogeneous strain quantities are compared to similar quantities obtained by direct structural investigation and visualization of the nc atomic configurations. Debye-Waller factors are also calculated from the theoretical x-ray spectra and compare well with those derived from the phonon properties of the nc system.

引用

页数：8

共 36 条

[1]

Blackman M, 1937, P CAMB PHILOS SOC, V33, P380

[2] Plastic deformation with reversible peak broadening in nanocrystalline nickel [J].