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Visualization and Analysis Strategies for Atomistic Simulations

Stukowski, Alexander :
Visualization and Analysis Strategies for Atomistic Simulations.
[Online-Edition: http://dx.doi.org/10.1007/978-3-319-33480-6_10]
In: Multiscale Materials Modeling for Nanomechanics. Springer International Publishing , pp. 317-336. ISBN 978-3-319-33478-3 ISSN 0933-033X
[Buchkapitel], (2016)

Offizielle URL: http://dx.doi.org/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.

Typ des Eintrags: Buchkapitel
Erschienen: 2016
Autor(en): Stukowski, Alexander
Titel: Visualization and Analysis Strategies for Atomistic Simulations
Sprache: Englisch
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.

Buchtitel: Multiscale Materials Modeling for Nanomechanics
Band: 245
Verlag: Springer International Publishing
Fachbereich(e)/-gebiet(e): 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Materialmodellierung
Hinterlegungsdatum: 29 Sep 2016 10:19
Offizielle URL: http://dx.doi.org/10.1007/978-3-319-33480-6_10
ID-Nummer: 10.1007/978-3-319-33480-6_10
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