共 2 条
- [1] PUSZTAI L, 1997, IN PRESS MOL PHYS
- [2] Soper A. K., 1990, IOP C SER, V81, P71
MCGR: An inverse method for deriving the pair correlation function from the structure factor
被引：80
作者：
Pusztai, L
McGreevy, RL
机构：
[1] University of Uppsala, Studsvik Neutron Research Laboratory
来源：
PHYSICA B
|
1997年
/
234卷
关键词：
computer modelling;
disordered materials;
diffraction;
diffuse scattering;
D O I：
10.1016/S0921-4526(96)00986-6
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
MCGR is a Monte-Carlo program for determining the pair correlation function (pcf), G(r), of a material from the total structure factor (tsf), F(Q), by an inverse method. Some of the latest developments are reviewed here: (a) coordination constraints, (b) Gaussian smoothing, (c) refinement of a quadratic background and (d) pcf's for crystalline powders. Experience suggests that MCGR can be used as a sensitive test of data quality, allowing the rapid assessment of instrument performance.
引用
收藏
页码：357 / 358
页数：2
相关论文