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root/group/trunk/nonperiodicVSS/nonperiodicVSS.aux
Revision: 3978
Committed: Tue Nov 26 20:33:01 2013 UTC (10 years, 7 months ago) by kstocke1
File size: 6831 byte(s)
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# Content
1 \relax
2 \citation{achemso-control}
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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 {subsection}{\numberline {2.2}VSS-RNEMD for non-periodic systems}{5}}
42 \citation{Bedrov:2000}
43 \citation{Kuang2010}
44 \citation{Bedrov:2000,Kuang2010}
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}
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 {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: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}}
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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}}
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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:interfacialconductance}{{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}}}
104 \bibcite{Barber96}{{2}{1996}{{Barber et~al.}}{{Barber, Dobkin, and Huhdanpaa}}}
105 \bibcite{EDELSBRUNNER:1994oq}{{3}{1994}{{Edelsbrunner and Mucke}}{{Edelsbrunner, and Mucke}}}
106 \bibcite{openmd}{{4}{}{{Gezelter et~al.}}{{Gezelter, Kuang, Marr, Stocker, Li, Vardeman, Lin, Fennell, Sun, Daily, Zheng, and Meineke}}}
107 \bibcite{Kuang2012}{{5}{2012}{{Kuang and Gezelter}}{{Kuang, and Gezelter}}}
108 \bibcite{Bedrov:2000}{{6}{2000}{{Bedrov and Smith}}{{Bedrov, and Smith}}}
109 \bibcite{Kuang2010}{{7}{2010}{{Kuang and Gezelter}}{{Kuang, and Gezelter}}}
110 \bibcite{PhysRevB.59.3527}{{8}{1999}{{Qi et~al.}}{{Qi, \c {C}a\v {g}in, Kimura, and {Goddard III}}}}
111 \bibcite{TraPPE-UA.alkanes}{{9}{1998}{{Martin and Siepmann}}{{Martin, and Siepmann}}}
112 \bibcite{kuang:AuThl}{{10}{2011}{{Kuang and Gezelter}}{{Kuang, and Gezelter}}}
113 \bibcite{vlugt:cpc2007154}{{11}{2007}{{Schapotschnikow et~al.}}{{Schapotschnikow, Pool, and Vlugt}}}
114 \bibcite{hautman:4994}{{12}{1989}{{Hautman and Klein}}{{Hautman, and Klein}}}
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119 \@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}}
120 \providecommand*\caption@xref[2]{\@setref\relax\@undefined{#1}}
121 \newlabel{fig:VSS}{{1}{15}}
122 \@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}}
123 \newlabel{fig:VSS}{{2}{16}}

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