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\@writefile{toc}{\contentsline {section}{\numberline {5}Calculating Transport Properties from Non-Periodic VSS-RNEMD}{4}} |
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\@writefile{lof}{\contentsline {figure}{\numberline {1}{\ignorespaces Interfacial thermal conductance ($G$) and corrugation values for 4 sizes of solvated nanoparticles that are bare or protected with a 50\% coverage of C$_{4}$, C$_{8}$, or C$_{12}$ alkanethiolate ligands.\relax }}{7}} |
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\@writefile{lof}{\contentsline {figure}{\numberline {2}{\ignorespaces Computed solvent escape rates, ligand orientational P$_2$ values, and interfacial solvent orientational $P_2$ values for 4 sizes of solvated nanoparticles that are bare or protected with a 50\% coverage of C$_{4}$, C$_{8}$, or C$_{12}$ alkanethiolate ligands.\relax }}{8}} |
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\@writefile{lof}{\contentsline {figure}{\numberline {3}{\ignorespaces Fraction of gold atoms with fcc ordering as a function of radius for a 10 \r A\ radius nanoparticle. The decreased fraction of fcc ordered atoms in ligand-protected nanoparticles relative to bare particles indicates restructuring of the nanoparticle surface by the thiolate sulfur atoms.\relax }}{10}} |
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\@writefile{lof}{\contentsline {figure}{\numberline {4}{\ignorespaces The two extreme cases of ligand orientation relative to the nanoparticle surface: the ligand completely outstretched ($\qopname \relax o{cos}{(\theta )} = -1$) and the ligand fully lying down on the particle surface ($\qopname \relax o{cos}{(\theta )} = 0$).\relax }}{13}} |
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\@writefile{lof}{\contentsline {figure}{\numberline {5}{\ignorespaces Radial hexane density profiles for 25 \r A\ radius nanoparticles with no ligands (circles), C$_{4}$ ligands (squares), C$_{8}$ ligands (triangles), and C$_{12}$ ligands (diamonds). As ligand chain length increases, the nearby solvent is excluded from the ligand layer. Some solvent is present inside the particle $r_{max}$ location due to faceting of the nanoparticle surface.\relax }}{15}} |
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