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# |
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../../bin/nanoparticleBuilder -o vacancy_alloy.md --radius=30.0 --latticeConstant=4.09 --molFraction=0.4 --vacancyPercent=80 bimetallic.md |
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../../bin/thermalizer -o vacancy_alloy-900K.md -t 900 vacancy_alloy.md |
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+ |
# |
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#Example 9: |
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# Builds a spherically-capped nanorod (FCC) from the <MetaData> block in gold.md |
| 118 |
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# using a nanorod radius of 20 Angstroms, a length of 50 Angstroms and a lattice constant of 4.08 |
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# angstroms. Places the output (which can be used to start an OpenMD job) in |
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# gold_fccrod.md |
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# |
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# Note that builders will rewrite the number of molecules in each component |
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# to match the number of lattice sites. |
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# |
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../../bin/nanorodBuilder -o gold_fccrod.md --radius=20.0 --length=50.0 --latticeConstant=4.08 gold.md |
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# |
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#Example 10: |
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# Builds a pentagonal nanorod from the <MetaData> block in gold.md |
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# using a nanorod radius of 15 Angstroms, a length of 64 Angstroms and a lattice constant of 4.08 |
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# angstroms. Places the output (which can be used to start an OpenMD job) in |
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# gold_pentrod.md |
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# |
| 133 |
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# Note that builders will rewrite the number of molecules in each component |
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# to match the number of lattice sites. |
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# |
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../../bin/nanorod_pentBuilder -o gold_pentrod.md --radius=15.0 --length=64.0 --latticeConstant=4.08 gold.md |