Search results for "Ewald's sphere"

showing 2 items of 2 documents

An algorithm based in Ewald's method to calculate lattice sums in the framework of crystal field theory

1992

A simple procedure to help calculate the electrostatic potential at any point inside an ionic crystal is proposed and tested. The rationale for the mathematical algorithm to calculate lattice sums is based on Ewald's technique. The method is discussed with regard to the dimensions and shape of the crystal lattice. Electrostatic potential for NaCl and MgO type structures are obtained and compared with the values calculated by means of Ewald's method

ChemistryCrystal chemistryCrystal structureCondensed Matter PhysicsBiochemistryP3MEwald summationCondensed Matter::Materials ScienceParticle in a one-dimensional latticeCrystal field theoryLattice (order)Ewald's spherePhysical and Theoretical ChemistryAlgorithmJournal of Molecular Structure: THEOCHEM
researchProduct

Automated Electron Diffraction Tomography

2012

Ab-initio structure analysis by electron diffraction is hampered by two major problems: insufficient number of reflections sampled and an intensity alteration by dynamical scattering contribution or beam damage. Thus, in recent years the principles of automated diffraction tomography (ADT) allowing systematic reciprocal space sampling and automated data analysis were developed. Here the basic ideas of ADT and its general applicability will be discussed along with some examples of solved structures.

Diffraction tomographyReciprocal latticeSampling (signal processing)Electron diffractionElectron crystallographyScatteringEwald's sphereTomographyComputational physics
researchProduct