eRDF Analyser: An interactive GUI for electron reduced density function analysis

Abstract eRDF Analyser is an interactive MATLAB GUI for reduced density function (RDF) or pair distribution function (PDF) analysis of amorphous and polycrystalline materials to study their local structure. It is developed as an integrated tool with an easy-to-use interface that offers a streamlined approach to extract RDF from electron diffraction data without the need for external routines. The software incorporates recent developments in scattering factor parameterisation and an automated fitting routine for the atomic scattering curve. It also features an automated optimisation routine for determination of the position of the centre of diffraction patterns recorded using both central and off-centre locations of the incident beam. It is available in both open source code (MATLAB m-file) and executable form.

[1]  W. Ratcliff Reflections on the magnetic pair distribution function. , 2014, Acta crystallographica. Section A, Foundations and advances.

[2]  D R G Mitchell,et al.  RDFTools: A software tool for quantifying short‐range ordering in amorphous materials , 2012, Microscopy research and technique.

[3]  D. Cockayne The Study of Nanovolumes of Amorphous Materials Using Electron Scattering , 2007 .

[4]  Dynamics of size-selected gold nanoparticles studied by ultrafast electron nanocrystallography. , 2007, Nano letters.

[5]  A. Wright,et al.  Neutron scattering from vitreous silica IV. Time-of-flight diffraction☆ , 1990 .

[6]  SUePDF: a program to obtain quantitative pair distribution functions from electron diffraction data , 2016, Journal of applied crystallography.

[7]  M. Kanatzidis,et al.  Quantitative nanostructure characterization using atomic pair distribution functions obtained from laboratory electron microscopes , 2012, 1202.0295.

[8]  J. Karle,et al.  The computation of radial distribution functions for glassy materials. Errata , 1973 .

[9]  C. George,et al.  An electron diffraction study of amorphous silicon oxide films , 1979 .

[10]  C. Gammer,et al.  Quantitative local profile analysis of nanomaterials by electron diffraction , 2010 .

[11]  R. Mozzi,et al.  The structure of vitreous silica , 1969 .

[12]  M. Treacy,et al.  Diffraction microscopy for disordered tetrahedral networks. , 2004 .

[13]  D. Dyck,et al.  An accurate parameterization for scattering factors, electron densities and electrostatic potentials for neutral atoms that obey all physical constraints , 2014 .