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Molecular Dynamics of Nanophase Intermetallics

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Nanophase Materials

Part of the book series: NATO ASI Series ((NSSE,volume 260))

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Abstract

We have performed computer simulations on a NiAl Intermetallic Nanophase using Molecular Dynamics of Embedded Atom Method.

We have studied the stability and the structural and elastic behavior of a NiAl intermetallic nanophase of 16 Ni and Al alternating monolayers. The simulation shows an amorphization (disorder) reaction of the Ni terminating surface at about 700°K. The disordering process continues as a function of temperatures through the rest of the nanophase which melts at the expected temperature of 2100°K. Calculations of the Radial Distribution Function and other Structural Parameters demonstrate the premelting and surface disordering behavior at low temperatures.

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Author information

Authors and Affiliations

  1. Dept. of Mechanics and Materials Science, Rutgers University, P.O. Box 909, Piscataway, NJ, 08855-0909, USA

    G.-C. Joo & T. Tsakalakos

  2. Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM, 87545, USA

    S. P. Chen

Authors
  1. G.-C. Joo
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  2. S. P. Chen
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  3. T. Tsakalakos
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Editor information

Editors and Affiliations

  1. Department of Physics and Astronomy, University of Delaware, Newark, DE, USA

    George C. Hadjipanayis

  2. Materials Science Division, Argonne National Laboratory, Argonne, IL, USA

    Richard W. Siegel

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© 1994 Springer Science+Business Media Dordrecht

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Joo, GC., Chen, S.P., Tsakalakos, T. (1994). Molecular Dynamics of Nanophase Intermetallics. In: Hadjipanayis, G.C., Siegel, R.W. (eds) Nanophase Materials. NATO ASI Series, vol 260. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-1076-1_37

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  • DOI: https://doi.org/10.1007/978-94-011-1076-1_37

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-010-4469-1

  • Online ISBN: 978-94-011-1076-1

  • eBook Packages: Springer Book Archive

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