### Session Q40: Metals: Nanoparticles, Compounds and Thermodynamics

11:15 AM–2:03 PM, Wednesday, March 12, 2008
Morial Convention Center Room: 232

Chair: William H. Butler, University of Alabama

Abstract ID: BAPS.2008.MAR.Q40.1

### Abstract: Q40.00001 : Sintering Behavior of Metallic Nanoparticles

11:15 AM–11:27 AM

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#### Authors:

Martin Fendrich
(Theoretical Physics, University of Duisburg-Essen, 47048 Duisburg, Germany)

Ralf Meyer
(Theoretical Physics, University of Duisburg-Essen, 47048 Duisburg, Germany)

Ruslan Zinetullin
(Theoretical Physics, University of Duisburg-Essen, 47048 Duisburg, Germany)

Dietrich E. Wolf
(Theoretical Physics, University of Duisburg-Essen, 47048 Duisburg, Germany)

Peter Entel
(Theoretical Physics, University of Duisburg-Essen, 47048 Duisburg, Germany)

Novel techological applications call increasingly for the controlled production of nanoparticles with well-defined physical properties. An important subject in this field is the sintering of agglomerated particles. We employ two different computer-simulation techniques to simulate the sintering of metallic nanoparticles. Molecular-dynamics simulations are used to study the early stage ($t<\,\approx$100\,ns) of the sintering of two Ni nanoparticles with a size of about 4\,nm. These simulations make it possible to observe important metallurgical details, like the role of (partial) dislocations in the process of the alignment of the crystal lattices. The data of the molecular-dynamics simulations are then used to calibrate the time-scale of kinetic Monte-Carlo simulations which can follow the sintering process over a much longer time-scale. A special technique is used in these simulations which makes it possible to take the misaligned crystal lattices into account.

To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2008.MAR.Q40.1