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root/group/trunk/nonperiodicVSS/nonperiodicVSS.aux
Revision: 3962
Committed: Thu Sep 19 19:42:05 2013 UTC (10 years, 9 months ago) by kstocke1
File size: 5229 byte(s)
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File Contents

# Content
1 \relax
2 \citation{achemso-control}
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}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}{80.25342pt}\LT@entry
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52 {1}{80.25342pt}\LT@entry
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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}{92.33887pt}\LT@entry
60 {1}{87.99518pt}\LT@entry
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64 {1}{57.0pt}}
65 \newlabel{table:waterconductivity}{{2}{8}}
66 \@writefile{toc}{\contentsline {subsection}{\numberline {4.2}Interfacial thermal conductance}{8}}
67 \@writefile{toc}{\contentsline {subsection}{\numberline {4.3}Interfacial friction}{8}}
68 \@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.}}{8}}
69 \newlabel{table:interfacialfrictionstick}{{3}{9}}
70 \@writefile{toc}{\contentsline {section}{\numberline {5}Discussion}{9}}
71 \bibdata{acs-nonperiodicVSS,nonperiodicVSS}
72 \bibcite{Vardeman2011}{{1}{2011}{{Vardeman et~al.}}{{Vardeman, Stocker, and Gezelter}}}
73 \bibcite{Barber96}{{2}{1996}{{Barber et~al.}}{{Barber, Dobkin, and Huhdanpaa}}}
74 \bibcite{EDELSBRUNNER:1994oq}{{3}{1994}{{Edelsbrunner and Mucke}}{{Edelsbrunner, and Mucke}}}
75 \bibcite{openmd}{{4}{}{{Gezelter et~al.}}{{Gezelter, Kuang, Marr, Stocker, Li, Vardeman, Lin, Fennell, Sun, Daily, Zheng, and Meineke}}}
76 \bibcite{Kuang2012}{{5}{2012}{{Kuang and Gezelter}}{{Kuang, and Gezelter}}}
77 \bibcite{Bedrov:2000}{{6}{2000}{{Bedrov and Smith}}{{Bedrov, and Smith}}}
78 \bibcite{Kuang2010}{{7}{2010}{{Kuang and Gezelter}}{{Kuang, and Gezelter}}}
79 \bibcite{PhysRevB.59.3527}{{8}{1999}{{Qi et~al.}}{{Qi, \c {C}a\v {g}in, Kimura, and {Goddard III}}}}
80 \bibcite{TraPPE-UA.alkanes}{{9}{1998}{{Martin and Siepmann}}{{Martin, and Siepmann}}}
81 \bibcite{kuang:AuThl}{{10}{2011}{{Kuang and Gezelter}}{{Kuang, and Gezelter}}}
82 \bibcite{vlugt:cpc2007154}{{11}{2007}{{Schapotschnikow et~al.}}{{Schapotschnikow, Pool, and Vlugt}}}
83 \bibcite{hautman:4994}{{12}{1989}{{Hautman and Klein}}{{Hautman, and Klein}}}
84 \mciteSetMaxCount{main}{bibitem}{12}
85 \mciteSetMaxCount{main}{subitem}{1}
86 \mciteSetMaxWidth{main}{bibitem}{786432}
87 \mciteSetMaxWidth{main}{subitem}{0}
88 \@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 }}{12}}
89 \providecommand*\caption@xref[2]{\@setref\relax\@undefined{#1}}
90 \newlabel{fig:VSS}{{1}{12}}

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