The Mathematics of Finding Atoms in Nanoparticles
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When atoms arrange themselves in crystals, x-ray crystallography can be used to find them. In nanostructures, atoms are much harder to find.
Essential issues are:
Loss of signal in the experiments
Loss of information in those signals
Increased complexity of the structural solutions
This team is addressing this through a three-pronged attack by developing advanced mathematical, computational, and data analytic approaches.
The problem and recent developments have been reviewed. (1)
A sub-field of Graph Theory, Distance Geometry, has been explored to aid in the solution of nanostructure reconstructions from ensembles of particles (2).
Related Project: DMREF: Deblurring our View of Atomic Arrangements in Complex Materials for Advanced Technologies
Additional Materials
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