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EnglishThe powder diffraction patterns of spherical nanocrystals made of five different fcc metals were generated using atomistic models within a Molecular Dynamics simulation. Static and dynamic effects are interpreted and discussed within the framework of two different approaches, respectively, based on (1) a Reciprocal Space and (2) a Direct Space representation of diffraction. Chosen elements display a wide range of properties, especially related to material stiffness and elastic anisotropy, so to deeply challenge interpretation paradigms. The effect of the shape on static and dynamic features is also addressed.
| Titolo: | On the modeling of the diffraction pattern from metal nanocrystals |
| Autori Unitn: | |
| Anno di pubblicazione: | 2014 |
| Titolo del periodico: | |
| Abstract: | The powder diffraction patterns of spherical nanocrystals made of five different fcc metals were generated using atomistic models within a Molecular Dynamics simulation. Static and dynamic effects are interpreted and discussed within the framework of two different approaches, respectively, based on (1) a Reciprocal Space and (2) a Direct Space representation of diffraction. Chosen elements display a wide range of properties, especially related to material stiffness and elastic anisotropy, so to deeply challenge interpretation paradigms. The effect of the shape on static and dynamic features is also addressed. |
| Handle: | http://hdl.handle.net/11572/114351 |
| Appare nelle tipologie: | 03.1 Articolo su rivista (Journal article) |
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