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Towards an accurate volume reconstruction in atom probe tomography
Ultramicroscopy, 2016An alternative concept for the reconstruction of atom probe data is outlined. It is based on the calculation of realistic trajectories of the evaporated ions in a recursive refinement process. To this end, the electrostatic problem is solved on a Delaunay tessellation.
Daniel, Beinke +2 more
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Atomic volume and allotropy of the elements
Journal of Chemical Education, 1984Presents reliable values of atomic volumes determined through X-ray methods, as well as allotropic forms of the elements under nonstandard temperatures and pressures.
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Haloethanes, geometric volume and atomic contribution method
Computers & Chemistry, 1994Abstract 629 haloethanes are theoretically possible by different combinations of fluorine, chlorine, bromine and iodine atoms. Geometric and common volumes of all these compounds have been computed. Rotation of the methyl group about the CC single bond effects changes in the geometric and common volumes.
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Properties of atoms in molecules: atomic volumes
Journal of the American Chemical Society, 1987Richard F. W. Bader +3 more
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Variations in atomic volume for alloy-systems
Physics Letters A, 1972Abstract The formation of intermetallic compounds is often accompanied by large volume changes. It is demonstrated that these can be calculated from a simple extension of pseudopotential theory.
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Time-averaged atomic volume spectrum: locating and identifying vacancies
Materials HorizonsWe developed the TAVS method to accurately locate and fully identify vacancies based on a new concept of the atomic cage enwrapping vacancies. This flexible method is believed to be applicable to any type of vacancy in any type of material.
YongQuan Wu +5 more
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