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gezelter |
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kstocke1 |
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\@writefile{lof}{\contentsline {figure}{\numberline {1}{\ignorespaces Schematics of periodic (left) and non-periodic (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 }}{3}} |
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\@writefile{toc}{\contentsline {section}{\numberline {3}Computational Details}{5}} |
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kstocke1 |
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kstocke1 |
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\@writefile{toc}{\contentsline {subsection}{\numberline {3.2}Simulation protocol}{6}} |
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\@writefile{toc}{\contentsline {subsection}{\numberline {3.4}Interfacial thermal conductance}{7}} |
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\@writefile{lof}{\contentsline {figure}{\numberline {2}{\ignorespaces A gold nanoparticle with a radius of 20 \r A$\tmspace +\thinmuskip {.1667em}$ solvated in TraPPE-UA hexane. A thermal flux is applied between the nanoparticle and an outer shell of solvent.\relax }}{8}} |
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\@writefile{toc}{\contentsline {subsection}{\numberline {3.5}Interfacial rotational friction}{9}} |
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\@writefile{lof}{\contentsline {figure}{\numberline {3}{\ignorespaces A gold prolate ellipsoid of length 65 \r A$\tmspace +\thinmuskip {.1667em}$ and width 25 \r A$\tmspace +\thinmuskip {.1667em}$ solvated by TraPPE-UA hexane. An angular momentum flux is applied between the ellipsoid and an outer shell of solvent.\relax }}{10}} |
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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.}}{12}} |
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\newlabel{table:goldTC}{{1}{12}} |
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\citation{Zhang2005} |
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kstocke1 |
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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 5 atm.}}{13}} |
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\@writefile{toc}{\contentsline {subsection}{\numberline {4.2}Interfacial thermal conductance}{14}} |
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\@writefile{lot}{\contentsline {table}{\numberline {3}{\ignorespaces Calculated interfacial thermal conductance ($G$) values for gold nanoparticles of varying radii solvated in explicit TraPPE-UA hexane. The nanoparticle $G$ values are compared to previous results for a Au(111) interface in TraPPE-UA hexane.}}{14}} |
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\@writefile{toc}{\contentsline {subsection}{\numberline {4.3}Interfacial friction}{14}} |
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kstocke1 |
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\@writefile{lot}{\contentsline {table}{\numberline {4}{\ignorespaces Comparison of rotational friction coefficients under ideal ``slip'' ($\Xi ^{rr}_{\mathit {slip}}$) and ``stick'' ($\Xi ^{rr}_{\mathit {stick}}$) conditions and effective ($\Xi ^{rr}_{\mathit {eff}}$) rotational friction coefficients of gold nanostructures solvated in TraPPE-UA hexane at 230 K. The ellipsoid is oriented with the long axis along the $z$ direction.}}{15}} |
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\@writefile{toc}{\contentsline {section}{\numberline {5}Discussion}{16}} |
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kstocke1 |
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\bibdata{acs-nonperiodicVSS,nonperiodicVSS} |
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kstocke1 |
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| 123 |
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| 124 |
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\bibcite{Berthier:2002ij}{{5}{2002}{{Berthier and Barrat}}{{Berthier, and Barrat}}} |
| 125 |
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\bibcite{Evans:2002ai}{{6}{2002}{{Evans and Searles}}{{Evans, and Searles}}} |
| 126 |
kstocke1 |
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\bibcite{garde:nl2005}{{13}{2005}{{Patel et~al.}}{{Patel, Garde, and Keblinski}}} |
| 133 |
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\bibcite{garde:PhysRevLett2009}{{14}{2009}{{Shenogina et~al.}}{{Shenogina, Godawat, Keblinski, and Garde}}} |
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\bibcite{PhysRevB.59.3527}{{18}{1999}{{Qi et~al.}}{{Qi, \c {C}a\v {g}in, Kimura, and {Goddard III}}}} |
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kstocke1 |
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kstocke1 |
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