Download The Structure of Amorphous Materials using Molecular Dynamics
The Structure of Amorphous Materials using Molecular Dynamics: Methodology and applications book pdf download. This reference text demonstrates how molecular dynamics (MD) can be used in practice to achieve a precise understanding of structural properties for systems devoid of any order beyond the first interatomic distances. The reader will learn the basic principles underlying molecular dynamics with a special emphasis on first-principles methodology.
A roadmap of correct and efficient use is also provided using clear examples. The book concludes with a set of results that exemplify the level of accuracy and information inherent in (first-principles) molecular dynamics methodology when applied to amorphous and glassy materials.
- 1- Introduction
- 2- Amorphous materials via atomic-scale modeling
- 3- Molecular dynamics to describe (amorphous) materials
- 4- A practical roadmap for FPMD on amorphous materials
- 5- Cases treated via classical molecular dynamics
- 6- The atomic structure of disordered networks
- 7- The effect of pressure on the structure of glassy GeSe2 and GeSe4
- 8- Structural changes with composition in GexSe1−x glassy chalcogenides
- 9- Moving ahead, better and bigger: GeS2, GeSe9 and GeSe4 vs GeS4
- 10- Accounting for dispersion forces: glassy GeTe4 and related examples
- 11- Ternary systems for applications: meeting the challenge
- 12- Past, present and futur
eBook details
- Author (s): Dr Carlo Massobrio
- Year of publication: 2022
- Publisher: Institute of Physics Publishing
- Writing language: English
- ISBN: 9780750343640, 9780750324359, 9780750324342, 9780750324366
- Number of pages: 316 pages
- Book format: PDF
- File size: 15 MB
