Radial Distribution Function for HCP and FCC lattices

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SUMMARY

The discussion focuses on the radial distribution functions (RDF) for hexagonal close-packed (HCP) and face-centered cubic (FCC) lattices, highlighting the differences in their RDFs due to variations in the c/a ratio. Users note that while ideal ratios may not show significant differences, real metals like cobalt deviate from these ideals, leading to unique RDFs. A spreadsheet for predicting diffractogram peaks for simple lattices is provided, emphasizing the need to use the direct metric tensor for accurate calculations.

PREREQUISITES
  • Understanding of radial distribution functions (RDF) in crystallography
  • Familiarity with hexagonal close-packed (HCP) and face-centered cubic (FCC) lattice structures
  • Knowledge of metric tensors in crystallography
  • Basic skills in using spreadsheet software for data analysis
NEXT STEPS
  • Explore the differences in radial distribution functions for various metals and alloys
  • Learn about the application of direct metric tensors in crystallography
  • Investigate the impact of c/a ratio variations on lattice structures
  • Utilize the provided spreadsheet to analyze diffractogram peaks for different lattice types
USEFUL FOR

Researchers, materials scientists, and crystallographers interested in the structural analysis of metals and alloys, particularly those studying the radial distribution functions of HCP and FCC lattices.

thepopasmurf
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I was wondering, does anyone have any images that show the difference between the radial distribution functions for hcp and fcc lattices? I would be useful for reference purposes.
 
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thepopasmurf said:
I was wondering, does anyone have any images that show the difference between the radial distribution functions for hcp and fcc lattices? I would be useful for reference purposes.
With the ideal ratio c/a, surely no difference.
But no real metal has this ideal ratio when hexagonal. Maybe cobalt ?
So as many histograms as metals - and alloys...

Maybe you can adapt the speadsheet I made for predicting the diffractogram peaks for any simple lattice, here for chlorite :
http://deonto-ethics.org/resources/chlorite.xls
The main adaptation you have to do is to use the direct metric tensor, rather than the reciprocal metric tensor.
It will save you hours and hours of work.
 
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