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kstocke1 |
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\@writefile{toc}{\contentsline {section}{\numberline {1}Introduction}{2}} |
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\@writefile{toc}{\contentsline {section}{\numberline {2}Methodology}{2}} |
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\@writefile{toc}{\contentsline {subsection}{\numberline {2.1}Force field parameters}{2}} |
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\@writefile{toc}{\contentsline {subsection}{\numberline {2.2}Dynamics for non-periodic systems}{2}} |
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\@writefile{toc}{\contentsline {subsection}{\numberline {2.3}VSS-RNEMD for non-periodic systems}{3}} |
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\@writefile{toc}{\contentsline {section}{\numberline {3}Tests and Applications}{4}} |
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\@writefile{toc}{\contentsline {subsection}{\numberline {3.1}Thermal conductivities}{4}} |
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\@writefile{lot}{\contentsline {table}{\numberline {1}{\ignorespaces Calculated thermal conductivity of a crystalline gold nanoparticle of radius 40 \r A. Calculations were performed at 300 K and ambient density. Gold-gold interactions are described by the Quantum Sutton-Chen potential.}}{4}} |
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\newlabel{table:goldconductivity}{{Table\nobreakspace {}1}{4}} |
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\@writefile{lot}{\contentsline {table}{\numberline {2}{\ignorespaces Calculated thermal conductivity of a cluster of 6912 SPC/E water molecules. Calculations were performed at 300 K and ambient density.}}{5}} |
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\newlabel{table:waterconductivity}{{Table\nobreakspace {}2}{5}} |
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\@writefile{toc}{\contentsline {subsection}{\numberline {3.2}Shear viscosity}{5}} |
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\@writefile{toc}{\contentsline {subsection}{\numberline {3.3}Interfacial thermal conductance}{5}} |
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\@writefile{toc}{\contentsline {subsection}{\numberline {3.4}Interfacial friction}{5}} |
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\@writefile{lot}{\contentsline {table}{\numberline {3}{\ignorespaces Calculated interfacial friction coefficients ($\kappa $) and slip length ($\delta $) of gold nanostructures solvated in TraPPE-UA hexane. The ellipsoid is aligned with the long axis along the $z$ direction.}}{5}} |
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\@writefile{lot}{\contentsline {table}{\numberline {3}{\ignorespaces Calculated interfacial friction coefficients ($\kappa $) and slip length ($\delta $) of gold nanostructures solvated in TraPPE-UA hexane. The ellipsoid is aligned with the long axis along the $z$ direction.}}{6}} |
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\@writefile{toc}{\contentsline {section}{\numberline {4}Discussion}{6}} |
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\bibdata{acs-nonperiodicVSS,nonperiodicVSS} |
