May 02 2007
Qausi-equilbiurm heating of {100} rod with a fixed core (5 layers)
The core of the {100} rod has been fixed so that only the 5 outmost layers
can move. It was heated up step by step with the temperature interval of 100K.
At each temperature 10^6 MD steps have been performed.
Average shapes
Surface and Cross-section pictures
They are the last configurations at each temperature. Brown spheres represent
fixed core atoms. For surface, golden atoms represent {111} facets, green
atoms represent {100} atoms, and gray atoms are others. For interior,
golden atoms have a local fcc structure, green atoms have a local hcp
structure, and gray atoms have neither.
T |
Surface |
Cross-section |
100K |
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200K |
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300K |
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400K |
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500K |
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600K |
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700K |
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800K |
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900K |
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1000K |
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1100K |
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1200K |
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