pair distribution functionnanostructure problemnanoparticlesinternal strainThe conventional X-ray diffraction (XRD) methods probe for the presence of long-range order towards a solution of the average crystal structure. Experimentally, structural information about long-range, periodic atomic ordering is ...
and Billinge, S. J. L. (2009), Atomic pair distribution function analysis from the ARCS chopper spectrometer at the Spallation Neutron Source. Jnl Applied Crystallography, 42: 724–725. doi: 10.1107/S0021889809023504 Author Information *S. J. L. Billinge, e-mail: sb2896@columbia.edu...
RDF (radial distribution function) Atomic Simulation Environment (ASE)是一组工具和Python模块,用于设置、操作、运行、可视化和分析原子模拟。 Note: 现在这些小代码都可以用chatgpt直接生成,一般都不会有错(不过会读会写代码总是更好)。例如: Prompt: 用python+ASE写脚本,读入POSCAR文件,把结构括胞为原来的(3,...
Structure of nanocrystalline materials using atomic pair distribution function analysis: Study ofLiMoS2 The structure of LiMoS2 has been experimentally determined. The approach of atomic pair distribution function analysis was used because of the l... V.,Petkov,S.,... - 《Physical Review B》 被...
Quantitativelyeliabletomic pair distributionunctions (PDFs)aveeenbtainedrom nanomaterials intraightforward wayromtandard laboratoryrans-mission electronicroscope (TEM).hepproch looks very promisingoraking electron derived PDFs (ePDFs)outinetep inheharacterizationf nanomaterialse-causefhebiquityfuchEMs in...
athis part of the city has become quite respectable in the last ten years this part of the city has become quite respectable in the last ten years[translate] adetermined atomic pair distribution function fits the description 坚定的原子对分布函数符合描述[translate]...
Lattice dynamics and correlated atomic motion from the atomic pair distribution function The mean-square relative displacements (MSRD) of atomic pair motions in crystals are studied as a function of pair distance and temperature using the atomi... IK Jeong,RH Heffner,MJ Graf,... - arXiv 被引...
Systematic local structural studies of the Ba(1-x)K(x)Fe(2)As(2) system are undertaken at room temperature using atomic pair distribution function analysis. The local structure of the Ba(1-x)K(x)Fe(2)As(2) is found to be well described by the long-range structure extracted from diffr...
pdffitx A python package to model atomic pair distribution function (PDF) based on diffpy-cmi. Free software: 3-clause BSD license Documentation: (COMING SOON!) https://st3107.github.io/pdffitx.About A python package to model atomic pair distribution function (PDF) based on diffpy-cmi. st...
Specifically, we obtain the pair-distribution functions for various atomic pairs based on high-energy x-ray diffraction data taken from an amorphous Co20Fe61B19 specimen. We start our reverse Monte Carlo cycles to determine the disordered structure with a two-phase model in which a small amount...