Molecular Dynamics and X-ray Powder Diffraction simulations
Investigation of nano-polycrystalline microstructure at the atomic scale
(Sprache: Englisch)
Atomistic simulations based on Molecular Dynamics were used to model the lattice distortions in metallic nano-polycrystalline microstructures. Complex microstructures were generated with a new modified Voronoi tessellation method which provides a direct...
Leider schon ausverkauft
versandkostenfrei
Buch
71.90 €
Produktdetails
Produktinformationen zu „Molecular Dynamics and X-ray Powder Diffraction simulations “
Klappentext zu „Molecular Dynamics and X-ray Powder Diffraction simulations “
Atomistic simulations based on Molecular Dynamics were used to model the lattice distortions in metallic nano-polycrystalline microstructures. Complex microstructures were generated with a new modified Voronoi tessellation method which provides a direct relation between generation parameters and statistical properties of the resulting model. Line Profile Analysis (LPA) was employed to retrieve the microstructure information from the powder diffraction patterns. The study provided a new point of view on the role of the grain boundary regions in nano-polycrystalline aggregates, exploring the interference effects between different domains and between grain boundary and crystalline regions. Usual concepts of solid mechanics were brought in the atomistic models to describe the strain effects on the powder diffraction pattern. The new concept of Directional Pair Distribution Function (D-PDF) was developed. D-PDFs provide a representation of the strain field which is directly comparablewith the results of LPA. The D-PDF opens a new chapter in powder diffraction as new insights and a more sound interpretation of the results are made possible with this new approach to diffraction LPA.
Bibliographische Angaben
- Autor: Alberto Leonardi
- 2013, 164 Seiten, Maße: 22 cm, Kartoniert (TB), Englisch
- Verlag: LAP Lambert Academic Publishing
- ISBN-10: 365940764X
- ISBN-13: 9783659407642
Sprache:
Englisch
Kommentar zu "Molecular Dynamics and X-ray Powder Diffraction simulations"
0 Gebrauchte Artikel zu „Molecular Dynamics and X-ray Powder Diffraction simulations“
Zustand | Preis | Porto | Zahlung | Verkäufer | Rating |
---|
Schreiben Sie einen Kommentar zu "Molecular Dynamics and X-ray Powder Diffraction simulations".
Kommentar verfassen