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Comparing trunk/nonperiodicVSS/nonperiodicVSS.aux (file contents):
Revision 3976 by kstocke1, Thu Nov 21 21:10:22 2013 UTC vs.
Revision 3977 by gezelter, Fri Nov 22 22:27:38 2013 UTC

# Line 3 | Line 3
3   \providecommand{\mciteSetMaxWidth}[3]{\relax}
4   \providecommand{\mciteSetMaxCount}[3]{\relax}
5   \bibstyle{achemso}
6 + \citation{ASHURST:1975tg}
7 + \citation{Evans:1982zk}
8 + \citation{ERPENBECK:1984sp}
9 + \citation{MAGINN:1993hc}
10 + \citation{Berthier:2002ij}
11 + \citation{Evans:2002ai}
12 + \citation{Schelling:2002dp}
13 + \citation{PhysRevA.34.1449}
14 + \citation{JiangHao_jp802942v}
15 + \citation{ASHURST:1975tg,Evans:1982zk,ERPENBECK:1984sp,MAGINN:1993hc,Berthier:2002ij,Evans:2002ai,Schelling:2002dp,PhysRevA.34.1449,JiangHao_jp802942v}
16 + \citation{MullerPlathe:1997xw}
17 + \citation{ISI:000080382700030}
18 + \citation{Kuang:2010uq}
19 + \citation{MullerPlathe:1997xw,ISI:000080382700030,Kuang:2010uq}
20 + \citation{Maginn:2010}
21 + \citation{MullerPlathe:1997xw,ISI:000080382700030,Maginn:2010}
22 + \citation{garde:nl2005}
23 + \citation{garde:PhysRevLett2009}
24 + \citation{kuang:AuThl}
25 + \citation{garde:nl2005,garde:PhysRevLett2009,kuang:AuThl}
26 + \citation{2012MolPh.110..691K}
27 + \citation{2012MolPh.110..691K}
28 + \@writefile{toc}{\contentsline {section}{\numberline {1}Introduction}{2}}
29 + \@writefile{toc}{\contentsline {section}{\numberline {2}Velocity Shearing and Scaling (VSS) for non-periodic systems}{2}}
30 + \newlabel{eq:bc}{{1}{3}}
31 + \newlabel{eq:bh}{{2}{3}}
32   \citation{Vardeman2011}
33   \citation{Vardeman2011}
34 + \newlabel{eq:Kc}{{3}{4}}
35 + \newlabel{eq:Kh}{{4}{4}}
36 + \@writefile{toc}{\contentsline {subsection}{\numberline {2.1}Dynamics for non-periodic systems}{4}}
37   \citation{Kuang2012}
38   \citation{Kuang2012}
39   \citation{openmd}
40   \citation{openmd}
41 < \@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}}
41 > \@writefile{toc}{\contentsline {subsection}{\numberline {2.2}VSS-RNEMD for non-periodic systems}{5}}
42   \citation{Bedrov:2000}
43   \citation{Kuang2010}
44   \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}}
45   \citation{PhysRevB.59.3527}
46   \citation{PhysRevB.59.3527}
47 + \newlabel{eq:bc}{{6}{6}}
48 + \newlabel{eq:bh}{{7}{6}}
49 + \newlabel{eq:Kc}{{8}{6}}
50 + \newlabel{eq:Kh}{{9}{6}}
51 + \@writefile{toc}{\contentsline {section}{\numberline {3}Computational Details}{6}}
52 + \@writefile{toc}{\contentsline {subsection}{\numberline {3.1}Simulation protocol}{6}}
53 + \@writefile{toc}{\contentsline {subsection}{\numberline {3.2}Force field parameters}{6}}
54   \citation{TraPPE-UA.alkanes}
55   \citation{TraPPE-UA.alkanes}
27 \citation{kuang:AuThl}
56   \citation{kuang:AuThl,Kuang2012}
57   \citation{vlugt:cpc2007154}
58   \citation{vlugt:cpc2007154}
59   \citation{hautman:4994}
60   \citation{hautman:4994}
61 < \@writefile{toc}{\contentsline {section}{\numberline {3}Computational Details}{4}}
62 < \@writefile{toc}{\contentsline {subsection}{\numberline {3.1}Simulation protocol}{4}}
63 < \@writefile{toc}{\contentsline {subsection}{\numberline {3.2}Force field parameters}{4}}
64 < \@writefile{toc}{\contentsline {subsection}{\numberline {3.3}Thermal conductivities}{4}}
65 < \@writefile{toc}{\contentsline {subsection}{\numberline {3.4}Interfacial thermal conductance}{5}}
66 < \newlabel{eq:G}{{6}{5}}
39 < \@writefile{toc}{\contentsline {subsection}{\numberline {3.5}Interfacial friction}{5}}
40 < \newlabel{eq:Xi}{{8}{5}}
61 > \@writefile{toc}{\contentsline {subsection}{\numberline {3.3}Thermal conductivities}{7}}
62 > \@writefile{toc}{\contentsline {subsection}{\numberline {3.4}Interfacial thermal conductance}{7}}
63 > \newlabel{eq:G}{{11}{8}}
64 > \@writefile{toc}{\contentsline {subsection}{\numberline {3.5}Interfacial friction}{8}}
65 > \newlabel{eq:Xi}{{13}{8}}
66 > \newlabel{eq:S}{{14}{8}}
67   \citation{Kuang2010}
68 < \newlabel{eq:S}{{9}{6}}
69 < \newlabel{eq:Xia}{{10}{6}}
70 < \newlabel{eq:Xibc}{{11}{6}}
71 < \@writefile{toc}{\contentsline {section}{\numberline {4}Tests and Applications}{6}}
46 < \@writefile{toc}{\contentsline {subsection}{\numberline {4.1}Thermal conductivities}{6}}
68 > \newlabel{eq:Xia}{{15}{9}}
69 > \newlabel{eq:Xibc}{{16}{9}}
70 > \@writefile{toc}{\contentsline {section}{\numberline {4}Tests and Applications}{9}}
71 > \@writefile{toc}{\contentsline {subsection}{\numberline {4.1}Thermal conductivities}{9}}
72   \gdef \LT@i {\LT@entry
73      {1}{80.25342pt}\LT@entry
74      {1}{53.69913pt}\LT@entry
# Line 52 | Line 77
77      {1}{80.25342pt}\LT@entry
78      {1}{53.69913pt}\LT@entry
79      {1}{72.96097pt}}
80 < \@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}}
81 < \newlabel{table:goldconductivity}{{1}{7}}
82 < \@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}}
80 > \@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.}}{10}}
81 > \newlabel{table:goldconductivity}{{1}{10}}
82 > \@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.}}{10}}
83 > \newlabel{table:waterconductivity}{{2}{10}}
84   \gdef \LT@iii {\LT@entry
85      {1}{110.31483pt}\LT@entry
86      {1}{72.96097pt}\LT@entry
87      {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}}
88   \gdef \LT@iv {\LT@entry
89      {1}{96.74344pt}\LT@entry
90      {1}{92.00313pt}\LT@entry
# Line 71 | Line 92
92      {1}{81.23506pt}\LT@entry
93      {1}{33.27168pt}\LT@entry
94      {1}{57.0pt}}
95 < \@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}}
96 < \newlabel{table:interfacialfrictionstick}{{4}{9}}
97 < \@writefile{toc}{\contentsline {section}{\numberline {5}Discussion}{9}}
95 > \@writefile{toc}{\contentsline {subsection}{\numberline {4.2}Interfacial thermal conductance}{11}}
96 > \@writefile{lot}{\contentsline {table}{\numberline {3}{\ignorespaces Caption.}}{11}}
97 > \newlabel{table:waterconductivity}{{3}{11}}
98 > \@writefile{toc}{\contentsline {subsection}{\numberline {4.3}Interfacial friction}{11}}
99 > \@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.}}{11}}
100 > \newlabel{table:interfacialfrictionstick}{{4}{12}}
101 > \@writefile{toc}{\contentsline {section}{\numberline {5}Discussion}{12}}
102   \bibdata{acs-nonperiodicVSS,nonperiodicVSS}
103 < \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}
103 > \mciteSetMaxCount{main}{bibitem}{0}
104   \mciteSetMaxCount{main}{subitem}{1}
105 < \mciteSetMaxWidth{main}{bibitem}{786432}
106 < \mciteSetMaxWidth{main}{subitem}{0}
107 < \@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}}
105 > \mciteSetMaxWidth{main}{bibitem}{0}
106 > \mciteSetMaxWidth{main}{subitem}{}
107 > \@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 }}{15}}
108   \providecommand*\caption@xref[2]{\@setref\relax\@undefined{#1}}
109 < \newlabel{fig:VSS}{{1}{12}}
109 > \newlabel{fig:VSS}{{1}{15}}
110 > \@writefile{lof}{\contentsline {figure}{\numberline {2}{\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 }}{16}}
111 > \newlabel{fig:VSS}{{2}{16}}

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