ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/group/trunk/nonperiodicVSS/nonperiodicVSS.aux
(Generate patch)

Comparing trunk/nonperiodicVSS/nonperiodicVSS.aux (file contents):
Revision 3946 by kstocke1, Tue Sep 3 19:30:21 2013 UTC vs.
Revision 3947 by kstocke1, Fri Sep 6 13:09:47 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}{80.25342pt}\LT@entry
49      {1}{53.69913pt}\LT@entry
50      {1}{72.96097pt}}
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}}
51   \gdef \LT@ii {\LT@entry
52      {1}{80.25342pt}\LT@entry
53      {1}{53.69913pt}\LT@entry
54      {1}{72.96097pt}}
55 < \newlabel{table:goldconductivity}{{1}{5}}
56 < \@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}}
57 < \newlabel{table:waterconductivity}{{2}{5}}
29 < \@writefile{toc}{\contentsline {subsection}{\numberline {3.2}Shear viscosity}{5}}
30 < \@writefile{toc}{\contentsline {subsection}{\numberline {3.3}Interfacial thermal conductance}{5}}
31 < \@writefile{toc}{\contentsline {subsection}{\numberline {3.4}Interfacial friction}{5}}
32 < \newlabel{eq:Xi}{{5}{6}}
33 < \newlabel{eq:S}{{6}{6}}
34 < \newlabel{eq:Xia}{{7}{6}}
35 < \newlabel{eq:Xibc}{{8}{6}}
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
# Line 40 | Line 62
62      {1}{81.23506pt}\LT@entry
63      {1}{33.27168pt}\LT@entry
64      {1}{57.0pt}}
65 < \gdef \LT@iv {\LT@entry
66 <    {1}{92.33887pt}\LT@entry
67 <    {1}{87.99518pt}\LT@entry
68 <    {1}{81.23506pt}\LT@entry
69 <    {1}{81.23506pt}}
70 < \@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.}}{7}}
49 < \newlabel{table:interfacialfriction}{{3}{7}}
50 < \@writefile{lot}{\contentsline {table}{\numberline {4}{\ignorespaces Calculated ``slip'' 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.}}{7}}
51 < \newlabel{table:interfacialfriction}{{4}{8}}
52 < \@writefile{toc}{\contentsline {section}{\numberline {4}Discussion}{8}}
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}{8}}
70 > \@writefile{toc}{\contentsline {section}{\numberline {5}Discussion}{9}}
71   \bibdata{acs-nonperiodicVSS,nonperiodicVSS}
72 < \@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 }}{10}}
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}{10}}
90 > \newlabel{fig:VSS}{{1}{12}}

Diff Legend

Removed lines
+ Added lines
< Changed lines
> Changed lines