Stukowski, Alexander (2016)
Visualization and Analysis Strategies for Atomistic Simulations.
In: Multiscale Materials Modeling for Nanomechanics
doi: 10.1007/978-3-319-33480-6_10
Buchkapitel, Bibliographie
Kurzbeschreibung (Abstract)
An important aspect of many molecular dynamics studies is the meaningful visualization of computed atomic configurations and trajectories, often contributing a lot to the understanding of the investigated phenomena. This chapter introduces visualization programs and analysis tools that have been developed for working with the output of classical molecular dynamics and other atomistic simulation models. Basic analysis techniques relevant for nanomechanics problems are described, which help to reveal structural phases, defects, and local deformations in materials. Furthermore, this chapter gives an overview of the dislocation extraction algorithm, which is a computational method for the automated detection and identification of dislocation lines in atomistic crystal models.
| Typ des Eintrags: | Buchkapitel |
|---|---|
| Erschienen: | 2016 |
| Autor(en): | Stukowski, Alexander |
| Art des Eintrags: | Bibliographie |
| Titel: | Visualization and Analysis Strategies for Atomistic Simulations |
| Sprache: | Englisch |
| Publikationsjahr: | 31 August 2016 |
| Verlag: | Springer International Publishing |
| Buchtitel: | Multiscale Materials Modeling for Nanomechanics |
| Band einer Reihe: | 245 |
| DOI: | 10.1007/978-3-319-33480-6_10 |
| Kurzbeschreibung (Abstract): | An important aspect of many molecular dynamics studies is the meaningful visualization of computed atomic configurations and trajectories, often contributing a lot to the understanding of the investigated phenomena. This chapter introduces visualization programs and analysis tools that have been developed for working with the output of classical molecular dynamics and other atomistic simulation models. Basic analysis techniques relevant for nanomechanics problems are described, which help to reveal structural phases, defects, and local deformations in materials. Furthermore, this chapter gives an overview of the dislocation extraction algorithm, which is a computational method for the automated detection and identification of dislocation lines in atomistic crystal models. |
| Fachbereich(e)/-gebiet(e): | 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Materialmodellierung 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft 11 Fachbereich Material- und Geowissenschaften |
| Hinterlegungsdatum: | 29 Sep 2016 10:19 |
| Letzte Änderung: | 29 Sep 2016 10:19 |
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