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Molecular dynamics simulation of crystal growth in Al50Ni50: The generation of defects

Kuhn, Philipp and Horbach, Jürgen (2013) Molecular dynamics simulation of crystal growth in Al50Ni50: The generation of defects. Physical Review B - Condensed Matter and Materials Physics, 87 (1), 014105-1-014105-5. American Physical Society. doi: 10.1103/PhysRevB.87.014105.

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Official URL: http://link.aps.org/doi/10.1103/PhysRevB.87.014105


The ordering processes in the interface of a solidifying binary alloy (Al50Ni50) are studied by molecular dynamics computer simulation. At various temperatures below the melting point, inhomogeneous systems with planar crystal-melt interfaces in (100) orientation are prepared. The growth of a new crystalline Al or Ni layer proceeds through different time-delayed ordering processes. Before the onset of crystallization, there is a segregation process of Al and Ni atoms in the region where a new layer forms. We show that the interplay between segregation and crystallization supports the formation of a high nonequilibrium concentration of point defects.

Item URL in elib:https://elib.dlr.de/80747/
Document Type:Article
Title:Molecular dynamics simulation of crystal growth in Al50Ni50: The generation of defects
AuthorsInstitution or Email of AuthorsAuthor's ORCID iDORCID Put Code
Horbach, JürgenHeinrich-Heine-Universität DüsseldorfUNSPECIFIEDUNSPECIFIED
Date:10 January 2013
Journal or Publication Title:Physical Review B - Condensed Matter and Materials Physics
Refereed publication:Yes
Open Access:No
Gold Open Access:No
In ISI Web of Science:No
Page Range:014105-1-014105-5
Publisher:American Physical Society
Keywords:crystal growth, aluminum-nickel, molecular dynamics simulation, defects
HGF - Research field:Aeronautics, Space and Transport
HGF - Program:Space
HGF - Program Themes:Research under Space Conditions
DLR - Research area:Raumfahrt
DLR - Program:R FR - Research under Space Conditions
DLR - Research theme (Project):R - Vorhaben Materialwissenschaftliche Forschung (old)
Location: Köln-Porz
Institutes and Institutions:Institute of Materials Physics in Space
Deposited By: Kuhn, Philipp
Deposited On:18 Jan 2013 08:48
Last Modified:29 Nov 2023 13:37

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