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Thermostat choice significantly influences water flow rates in molecular dynamics studies of carbon nanotubes

✍ Scribed by Thomas, Michael (author);Corry, Ben (author)


Book ID
121785211
Publisher
Springer Verlag
Year
2014
Tongue
English
Weight
894 KB
Volume
18
Category
Article
ISSN
1613-4982

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Molecular dynamics simulation was carried out to investigate the behavior of (5,5) and (10,10) armchair carbon nanotubes in water under tensile loading. The water molecules inside a nanoscale tube, unlike inside a bulk tube, have a confined effect. The local density distributions of oxygen and hydro