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\relax |
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\citation{achemso-control} |
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\providecommand{\mciteSetMaxWidth}[3]{\relax} |
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\bibstyle{achemso} |
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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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\newlabel{eq:bc}{{1}{3}} |
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\newlabel{eq:bh}{{2}{3}} |
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\newlabel{eq:Kc}{{3}{3}} |
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\newlabel{eq:Kh}{{4}{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}{{1}{5}} |
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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}{{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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\newlabel{eq:Xi}{{5}{6}} |
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\newlabel{eq:S}{{6}{6}} |
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\newlabel{eq:Xia}{{7}{6}} |
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\newlabel{eq:Xibc}{{8}{6}} |
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{1}{57.0pt}} |
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{1}{81.23506pt}} |
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\@writefile{lot}{\contentsline {table}{\numberline {3}{\ignorespaces Calculated ``stick'' interfacial friction coefficients ($\kappa $) and friction factors ($f$) of gold nanostructures solvated in TraPPE-UA hexane. The ellipsoid is oriented with the long axis along the $z$ direction.}}{7}} |
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\newlabel{table:interfacialfriction}{{3}{7}} |
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\@writefile{lot}{\contentsline {table}{\numberline {4}{\ignorespaces Calculated ``slip'' interfacial friction coefficients ($\kappa $) and friction factors ($f$) of gold nanostructures solvated in TraPPE-UA hexane. The ellipsoid is oriented with the long axis along the $z$ direction.}}{7}} |
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\newlabel{table:interfacialfriction}{{4}{8}} |
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\@writefile{toc}{\contentsline {section}{\numberline {4}Discussion}{8}} |
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\bibdata{acs-nonperiodicVSS,nonperiodicVSS} |
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\@writefile{lof}{\contentsline {figure}{\numberline {1}{\ignorespaces Schematics of periodic (left) and nonperiodic (right) Velocity Shearing and Scaling RNEMD. A kinetic energy or momentum flux is applied from region B to region A. Thermal gradients are depicted by a color gradient. Linear or angular velocity gradients are shown as arrows.\relax }}{10}} |
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\providecommand*\caption@xref[2]{\@setref\relax\@undefined{#1}} |
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\newlabel{fig:VSS}{{1}{10}} |