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Revision 3931 by kstocke1, Mon Aug 5 21:31:30 2013 UTC vs.
Revision 3974 by kstocke1, Wed Nov 20 19:08:08 2013 UTC

# Line 3 | Line 3
3   \providecommand{\mciteSetMaxWidth}[3]{\relax}
4   \providecommand{\mciteSetMaxCount}[3]{\relax}
5   \bibstyle{achemso}
6 + \citation{Vardeman2011}
7 + \citation{Vardeman2011}
8 + \citation{Kuang2012}
9 + \citation{Kuang2012}
10 + \citation{openmd}
11 + \citation{openmd}
12   \@writefile{toc}{\contentsline {section}{\numberline {1}Introduction}{2}}
13   \@writefile{toc}{\contentsline {section}{\numberline {2}Methodology}{2}}
14 < \@writefile{toc}{\contentsline {subsection}{\numberline {2.1}Force field parameters}{2}}
15 < \@writefile{toc}{\contentsline {subsection}{\numberline {2.2}Dynamics for non-periodic systems}{2}}
16 < \@writefile{toc}{\contentsline {subsection}{\numberline {2.3}VSS-RNEMD for non-periodic systems}{3}}
14 > \@writefile{toc}{\contentsline {subsection}{\numberline {2.1}Dynamics for non-periodic systems}{2}}
15 > \@writefile{toc}{\contentsline {subsection}{\numberline {2.2}VSS-RNEMD for non-periodic systems}{2}}
16 > \citation{Bedrov:2000}
17 > \citation{Kuang2010}
18 > \citation{Bedrov:2000,Kuang2010}
19   \newlabel{eq:bc}{{1}{3}}
20   \newlabel{eq:bh}{{2}{3}}
21   \newlabel{eq:Kc}{{3}{3}}
22   \newlabel{eq:Kh}{{4}{3}}
23 + \citation{PhysRevB.59.3527}
24 + \citation{PhysRevB.59.3527}
25 + \citation{TraPPE-UA.alkanes}
26 + \citation{TraPPE-UA.alkanes}
27 + \citation{kuang:AuThl}
28 + \citation{kuang:AuThl,Kuang2012}
29 + \citation{vlugt:cpc2007154}
30 + \citation{vlugt:cpc2007154}
31 + \citation{hautman:4994}
32 + \citation{hautman:4994}
33 + \@writefile{toc}{\contentsline {section}{\numberline {3}Computational Details}{4}}
34 + \@writefile{toc}{\contentsline {subsection}{\numberline {3.1}Simulation protocol}{4}}
35 + \@writefile{toc}{\contentsline {subsection}{\numberline {3.2}Force field parameters}{4}}
36 + \@writefile{toc}{\contentsline {subsection}{\numberline {3.3}Thermal conductivities}{4}}
37 + \@writefile{toc}{\contentsline {subsection}{\numberline {3.4}Interfacial thermal conductance}{5}}
38 + \newlabel{eq:G}{{6}{5}}
39 + \@writefile{toc}{\contentsline {subsection}{\numberline {3.5}Interfacial friction}{5}}
40 + \newlabel{eq:Xi}{{8}{5}}
41 + \citation{Kuang2010}
42 + \newlabel{eq:S}{{9}{6}}
43 + \newlabel{eq:Xia}{{10}{6}}
44 + \newlabel{eq:Xibc}{{11}{6}}
45 + \@writefile{toc}{\contentsline {section}{\numberline {4}Tests and Applications}{6}}
46 + \@writefile{toc}{\contentsline {subsection}{\numberline {4.1}Thermal conductivities}{6}}
47   \gdef \LT@i {\LT@entry
48 <    {1}{88.82234pt}\LT@entry
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19 < \@writefile{toc}{\contentsline {section}{\numberline {3}Tests and Applications}{4}}
20 < \@writefile{toc}{\contentsline {subsection}{\numberline {3.1}Thermal conductivities}{4}}
21 < \@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}}
22 < \newlabel{table:goldconductivity}{{1}{4}}
48 >    {1}{80.25342pt}\LT@entry
49 >    {1}{53.69913pt}\LT@entry
50 >    {1}{72.96097pt}}
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55 > \@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.}}{7}}
56 > \newlabel{table:goldconductivity}{{1}{7}}
57 > \@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.}}{7}}
58   \gdef \LT@iii {\LT@entry
59 <    {1}{83.13188pt}\LT@entry
60 <    {1}{97.35826pt}\LT@entry
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64 < \@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}}
65 < \newlabel{table:waterconductivity}{{2}{5}}
66 < \@writefile{toc}{\contentsline {subsection}{\numberline {3.2}Shear viscosity}{5}}
67 < \@writefile{toc}{\contentsline {subsection}{\numberline {3.3}Interfacial thermal conductance}{5}}
68 < \@writefile{toc}{\contentsline {subsection}{\numberline {3.4}Interfacial friction}{5}}
69 < \@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 oriented with the long axis along the $z$ direction.}}{5}}
70 < \@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 oriented with the long axis along the $z$ direction.}}{6}}
71 < \newlabel{table:interfacialfriction}{{3}{6}}
72 < \@writefile{toc}{\contentsline {section}{\numberline {4}Discussion}{6}}
59 >    {1}{110.31483pt}\LT@entry
60 >    {1}{72.96097pt}\LT@entry
61 >    {1}{0.0pt}}
62 > \newlabel{table:waterconductivity}{{2}{8}}
63 > \@writefile{toc}{\contentsline {subsection}{\numberline {4.2}Interfacial thermal conductance}{8}}
64 > \@writefile{lot}{\contentsline {table}{\numberline {3}{\ignorespaces Caption.}}{8}}
65 > \newlabel{table:waterconductivity}{{3}{8}}
66 > \@writefile{toc}{\contentsline {subsection}{\numberline {4.3}Interfacial friction}{8}}
67 > \gdef \LT@iv {\LT@entry
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72 >    {1}{33.27168pt}\LT@entry
73 >    {1}{57.0pt}}
74 > \@writefile{lot}{\contentsline {table}{\numberline {4}{\ignorespaces Calculated ``stick'' interfacial friction coefficients ($\kappa $) and friction factors ($f$) of gold nanostructures solvated in TraPPE-UA hexane at 230 K. The ellipsoid is oriented with the long axis along the $z$ direction.}}{9}}
75 > \newlabel{table:interfacialfrictionstick}{{4}{9}}
76 > \@writefile{toc}{\contentsline {section}{\numberline {5}Discussion}{9}}
77   \bibdata{acs-nonperiodicVSS,nonperiodicVSS}
78 + \bibcite{Vardeman2011}{{1}{2011}{{Vardeman et~al.}}{{Vardeman, Stocker, and Gezelter}}}
79 + \bibcite{Barber96}{{2}{1996}{{Barber et~al.}}{{Barber, Dobkin, and Huhdanpaa}}}
80 + \bibcite{EDELSBRUNNER:1994oq}{{3}{1994}{{Edelsbrunner and Mucke}}{{Edelsbrunner, and Mucke}}}
81 + \bibcite{openmd}{{4}{}{{Gezelter et~al.}}{{Gezelter, Kuang, Marr, Stocker, Li, Vardeman, Lin, Fennell, Sun, Daily, Zheng, and Meineke}}}
82 + \bibcite{Kuang2012}{{5}{2012}{{Kuang and Gezelter}}{{Kuang, and Gezelter}}}
83 + \bibcite{Bedrov:2000}{{6}{2000}{{Bedrov and Smith}}{{Bedrov, and Smith}}}
84 + \bibcite{Kuang2010}{{7}{2010}{{Kuang and Gezelter}}{{Kuang, and Gezelter}}}
85 + \bibcite{PhysRevB.59.3527}{{8}{1999}{{Qi et~al.}}{{Qi, \c {C}a\v {g}in, Kimura, and {Goddard III}}}}
86 + \bibcite{TraPPE-UA.alkanes}{{9}{1998}{{Martin and Siepmann}}{{Martin, and Siepmann}}}
87 + \bibcite{kuang:AuThl}{{10}{2011}{{Kuang and Gezelter}}{{Kuang, and Gezelter}}}
88 + \bibcite{vlugt:cpc2007154}{{11}{2007}{{Schapotschnikow et~al.}}{{Schapotschnikow, Pool, and Vlugt}}}
89 + \bibcite{hautman:4994}{{12}{1989}{{Hautman and Klein}}{{Hautman, and Klein}}}
90 + \mciteSetMaxCount{main}{bibitem}{12}
91 + \mciteSetMaxCount{main}{subitem}{1}
92 + \mciteSetMaxWidth{main}{bibitem}{786432}
93 + \mciteSetMaxWidth{main}{subitem}{0}

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