group/stokes/stokes.bib

%% This BibTeX bibliography file was created using BibDesk.
%% http://bibdesk.sourceforge.net/


%% Created for Shenyu Kuang at 2011-12-06 14:23:44 -0500 


%% Saved with string encoding Unicode (UTF-8) 


@article{hoover85,
        Author = {W.~G. Hoover},
        Date-Added = {2011-12-06 14:23:41 -0500},
        Date-Modified = {2011-12-06 14:23:41 -0500},
        Journal = pra,
        Pages = 1695,
        Title = {Canonical dynamics: Equilibrium phase-space distributions},
        Volume = 31,
        Year = 1985}

@article{Maginn:2010,
        Abstract = {The reverse nonequilibrium molecular dynamics
                  (RNEMD) method calculates the shear viscosity of a
                  fluid by imposing a nonphysical exchange of momentum
                  and measuring the resulting shear velocity
                  gradient. In this study we investigate the range of
                  momentum flux values over which RNEMD yields usable
                  (linear) velocity gradients. We find that nonlinear
                  velocity profiles result primarily from gradients in
                  fluid temperature and density. The temperature
                  gradient results from conversion of heat into bulk
                  kinetic energy, which is transformed back into heat
                  elsewhere via viscous heating. An expression is
                  derived to predict the temperature profile resulting
                  from a specified momentum flux for a given fluid and
                  simulation cell. Although primarily bounded above,
                  we also describe milder low-flux limitations. RNEMD
                  results for a Lennard-Jones fluid agree with
                  equilibrium molecular dynamics and conventional
                  nonequilibrium molecular dynamics calculations at
                  low shear, but RNEMD underpredicts viscosity
                  relative to conventional NEMD at high shear.},
        Address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA},
        Affiliation = {Tenney, CM (Reprint Author), Univ Notre Dame, Dept Chem \& Biomol Engn, 182 Fitzpatrick Hall, Notre Dame, IN 46556 USA. {[}Tenney, Craig M.; Maginn, Edward J.] Univ Notre Dame, Dept Chem \& Biomol Engn, Notre Dame, IN 46556 USA.},
        Article-Number = {014103},
        Author = {Tenney, Craig M. and Maginn, Edward J.},
        Author-Email = {ed@nd.edu},
        Date-Added = {2011-12-05 18:29:08 -0500},
        Date-Modified = {2011-12-05 18:29:08 -0500},
        Doc-Delivery-Number = {542DQ},
        Doi = {10.1063/1.3276454},
        Funding-Acknowledgement = {U.S. Department of Energy {[}DE-FG36-08G088020]},
        Funding-Text = {Support for this work was provided by the U.S. Department of Energy (Grant No. DE-FG36-08G088020)},
        Issn = {0021-9606},
        Journal = {J. Chem. Phys.},
        Journal-Iso = {J. Chem. Phys.},
        Keywords = {Lennard-Jones potential; molecular dynamics method; Navier-Stokes equations; viscosity},
        Keywords-Plus = {CURRENT AUTOCORRELATION-FUNCTION; IONIC LIQUID; SIMULATIONS; TEMPERATURE},
        Language = {English},
        Month = {JAN 7},
        Number = {1},
        Number-Of-Cited-References = {20},
        Pages = {014103},
        Publisher = {AMER INST PHYSICS},
        Subject-Category = {Physics, Atomic, Molecular \& Chemical},
        Times-Cited = {0},
        Title = {Limitations and recommendations for the calculation of shear viscosity using reverse nonequilibrium molecular dynamics},
        Type = {Article},
        Unique-Id = {ISI:000273472300004},
        Volume = {132},
        Year = {2010},
        Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.3276454}}

@article{ISI:000080382700030,
        Abstract = {A nonequilibrium method for calculating the shear
                  viscosity is presented. It reverses the
                  cause-and-effect picture customarily used in
                  nonequilibrium molecular dynamics: the effect, the
                  momentum flux or stress, is imposed, whereas the
                  cause, the velocity gradient or shear rate, is
                  obtained from the simulation. It differs from other
                  Norton-ensemble methods by the way in which the
                  steady-state momentum flux is maintained. This
                  method involves a simple exchange of particle
                  momenta, which is easy to implement. Moreover, it
                  can be made to conserve the total energy as well as
                  the total linear momentum, so no coupling to an
                  external temperature bath is needed. The resulting
                  raw data, the velocity profile, is a robust and
                  rapidly converging property. The method is tested on
                  the Lennard-Jones fluid near its triple point. It
                  yields a viscosity of 3.2-3.3, in Lennard-Jones
                  reduced units, in agreement with literature
                  results. {[}S1063-651X(99)03105-0].},
        Address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA},
        Affiliation = {Muller-Plathe, F (Reprint Author), Max Planck Inst Polymerforsch, Ackermannweg 10, D-55128 Mainz, Germany. Max Planck Inst Polymerforsch, D-55128 Mainz, Germany.},
        Author = {M\"{u}ller-Plathe, F},
        Date-Added = {2011-12-05 18:18:37 -0500},
        Date-Modified = {2011-12-05 18:18:37 -0500},
        Doc-Delivery-Number = {197TX},
        Issn = {1063-651X},
        Journal = {Phys. Rev. E},
        Journal-Iso = {Phys. Rev. E},
        Language = {English},
        Month = {MAY},
        Number = {5, Part A},
        Number-Of-Cited-References = {17},
        Pages = {4894-4898},
        Publisher = {AMERICAN PHYSICAL SOC},
        Subject-Category = {Physics, Fluids \& Plasmas; Physics, Mathematical},
        Times-Cited = {57},
        Title = {Reversing the perturbation in nonequilibrium molecular dynamics: An easy way to calculate the shear viscosity of fluids},
        Type = {Article},
        Unique-Id = {ISI:000080382700030},
        Volume = {59},
        Year = {1999}}

@article{MullerPlathe:1997xw,
        Abstract = {A nonequilibrium molecular dynamics method for
                  calculating the thermal conductivity is
                  presented. It reverses the usual cause and effect
                  picture. The ''effect,'' the heat flux, is imposed
                  on the system and the ''cause,'' the temperature
                  gradient is obtained from the simulation. Besides
                  being very simple to implement, the scheme offers
                  several advantages such as compatibility with
                  periodic boundary conditions, conservation of total
                  energy and total linear momentum, and the sampling
                  of a rapidly converging quantity (temperature
                  gradient) rather than a slowly converging one (heat
                  flux). The scheme is tested on the Lennard-Jones
                  fluid. (C) 1997 American Institute of Physics.},
        Address = {WOODBURY},
        Author = {M\"{u}ller-Plathe, F.},
        Cited-Reference-Count = {13},
        Date = {APR 8},
        Date-Added = {2011-12-05 18:18:37 -0500},
        Date-Modified = {2011-12-05 18:18:37 -0500},
        Document-Type = {Article},
        Isi = {ISI:A1997WR62000032},
        Isi-Document-Delivery-Number = {WR620},
        Iso-Source-Abbreviation = {J. Chem. Phys.},
        Issn = {0021-9606},
        Journal = {J. Chem. Phys.},
        Language = {English},
        Month = {Apr},
        Number = {14},
        Page-Count = {4},
        Pages = {6082--6085},
        Publication-Type = {J},
        Publisher = {AMER INST PHYSICS},
        Publisher-Address = {CIRCULATION FULFILLMENT DIV, 500 SUNNYSIDE BLVD, WOODBURY, NY 11797-2999},
        Reprint-Address = {MullerPlathe, F, MAX PLANCK INST POLYMER RES, D-55128 MAINZ, GERMANY.},
        Source = {J CHEM PHYS},
        Subject-Category = {Physics, Atomic, Molecular & Chemical},
        Times-Cited = {106},
        Title = {A simple nonequilibrium molecular dynamics method for calculating the thermal conductivity},
        Volume = {106},
        Year = {1997}}

@article{priezjev:204704,
        Author = {Nikolai V. Priezjev},
        Date-Added = {2011-11-28 14:39:18 -0500},
        Date-Modified = {2011-11-28 14:39:18 -0500},
        Doi = {10.1063/1.3663384},
        Eid = {204704},
        Journal = {The Journal of Chemical Physics},
        Keywords = {channel flow; diffusion; flow simulation; hydrodynamics; molecular dynamics method; pattern formation; random processes; shear flow; slip flow; wetting},
        Number = {20},
        Numpages = {9},
        Pages = {204704},
        Publisher = {AIP},
        Title = {Molecular diffusion and slip boundary conditions at smooth surfaces with periodic and random nanoscale textures},
        Url = {http://link.aip.org/link/?JCP/135/204704/1},
        Volume = {135},
        Year = {2011},
        Bdsk-Url-1 = {http://link.aip.org/link/?JCP/135/204704/1},
        Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.3663384}}

@article{bryk:10258,
        Author = {Taras Bryk and A. D. J. Haymet},
        Date-Added = {2011-11-22 17:06:35 -0500},
        Date-Modified = {2011-11-22 17:06:35 -0500},
        Doi = {10.1063/1.1519538},
        Journal = {The Journal of Chemical Physics},
        Keywords = {liquid structure; molecular dynamics method; water; ice; interface structure},
        Number = {22},
        Pages = {10258-10268},
        Publisher = {AIP},
        Title = {Ice 1h/water interface of the SPC/E model: Molecular dynamics simulations of the equilibrium basal and prism interfaces},
        Url = {http://link.aip.org/link/?JCP/117/10258/1},
        Volume = {117},
        Year = {2002},
        Bdsk-Url-1 = {http://link.aip.org/link/?JCP/117/10258/1},
        Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1519538}}

@article{kuang:164101,
        Author = {Shenyu Kuang and J. Daniel Gezelter},
        Date-Added = {2011-11-18 15:32:23 -0500},
        Date-Modified = {2011-11-18 15:32:23 -0500},
        Doi = {10.1063/1.3499947},
        Eid = {164101},
        Journal = {J. Chem. Phys.},
        Keywords = {linear momentum; molecular dynamics method; thermal conductivity; total energy; viscosity},
        Number = {16},
        Numpages = {9},
        Pages = {164101},
        Publisher = {AIP},
        Title = {A gentler approach to RNEMD: Nonisotropic velocity scaling for computing thermal conductivity and shear viscosity},
        Url = {http://link.aip.org/link/?JCP/133/164101/1},
        Volume = {133},
        Year = {2010},
        Bdsk-Url-1 = {http://link.aip.org/link/?JCP/133/164101/1},
        Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.3499947}}

@misc{openmd,
        Author = {J. Daniel Gezelter and Shenyu Kuang and James Marr and Kelsey Stocker and Chunlei Li and Charles F. Vardeman and Teng Lin and Christopher J. Fennell and Xiuquan Sun and Kyle Daily and Yang Zheng and Matthew A. Meineke},
        Date-Added = {2011-11-18 15:32:23 -0500},
        Date-Modified = {2011-11-18 15:32:23 -0500},
        Howpublished = {Available at {\tt http://openmd.net}},
        Title = {{OpenMD, an open source engine for molecular dynamics}}}

@article{kuang:AuThl,
        Author = {Kuang, Shenyu and Gezelter, J. Daniel},
        Date-Added = {2011-11-18 13:03:06 -0500},
        Date-Modified = {2011-12-05 17:58:01 -0500},
        Doi = {10.1021/jp2073478},
        Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp2073478},
        Journal = {The Journal of Physical Chemistry C},
        Number = {45},
        Pages = {22475-22483},
        Title = {Simulating Interfacial Thermal Conductance at Metal-Solvent Interfaces: The Role of Chemical Capping Agents},
        Url = {http://pubs.acs.org/doi/abs/10.1021/jp2073478},
        Volume = {115},
        Year = {2011},
        Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp2073478},
        Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp2073478}}

@article{10.1063/1.2772547,
        Author = {Hideo Kaburaki and Ju Li and Sidney Yip and Hajime Kimizuka},
        Coden = {JAPIAU},
        Date-Added = {2011-11-01 16:46:32 -0400},
        Date-Modified = {2011-11-01 16:46:32 -0400},
        Doi = {DOI:10.1063/1.2772547},
        Eissn = {10897550},
        Issn = {00218979},
        Keywords = {argon; Lennard-Jones potential; phonons; thermal conductivity;},
        Number = {4},
        Pages = {043514},
        Publisher = {AIP},
        Title = {Dynamical thermal conductivity of argon crystal},
        Url = {http://dx.doi.org/10.1063/1.2772547},
        Volume = {102},
        Year = {2007},
        Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.2772547}}

@article{PhysRevLett.82.4671,
        Author = {Barrat, Jean-Louis and Bocquet, Lyd\'eric},
        Date-Added = {2011-11-01 16:44:29 -0400},
        Date-Modified = {2011-11-01 16:44:29 -0400},
        Doi = {10.1103/PhysRevLett.82.4671},
        Issue = {23},
        Journal = {Phys. Rev. Lett.},
        Month = {Jun},
        Pages = {4671--4674},
        Publisher = {American Physical Society},
        Title = {Large Slip Effect at a Nonwetting Fluid-Solid Interface},
        Url = {http://link.aps.org/doi/10.1103/PhysRevLett.82.4671},
        Volume = {82},
        Year = {1999},
        Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.82.4671},
        Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.82.4671}}

@article{10.1063/1.1610442,
        Author = {J. R. Schmidt and J. L. Skinner},
        Coden = {JCPSA6},
        Date-Added = {2011-10-13 16:28:43 -0400},
        Date-Modified = {2011-10-13 16:28:43 -0400},
        Doi = {DOI:10.1063/1.1610442},
        Eissn = {10897690},
        Issn = {00219606},
        Keywords = {hydrodynamics; Brownian motion; molecular dynamics method; diffusion;},
        Number = {15},
        Pages = {8062-8068},
        Publisher = {AIP},
        Title = {Hydrodynamic boundary conditions, the Stokes?Einstein law, and long-time tails in the Brownian limit},
        Url = {http://dx.doi.org/10.1063/1.1610442},
        Volume = {119},
        Year = {2003},
        Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.1610442}}

@article{10.1063/1.3274802,
        Author = {Ting Chen and Berend Smit and Alexis T. Bell},
        Coden = {JCPSA6},
        Doi = {DOI:10.1063/1.3274802},
        Eissn = {10897690},
        Issn = {00219606},
        Keywords = {fluctuations; molecular dynamics method; viscosity;},
        Number = {24},
        Pages = {246101},
        Publisher = {AIP},
        Title = {Are pressure fluctuation-based equilibrium methods really worse than nonequilibrium methods for calculating viscosities?},
        Url = {http://dx.doi.org/doi/10.1063/1.3274802},
        Volume = {131},
        Year = {2009},
        Bdsk-Url-1 = {http://dx.doi.org/doi/10.1063/1.3274802},
        Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.3274802}}
Revision:	3773
Committed:	Tue Dec 6 19:43:33 2011 UTC (12 years, 9 months ago) by skuang
File size:	13614 byte(s)
Log Message:	just start simulation details
#	User	Rev	Content
1	skuang	3770	%% This BibTeX bibliography file was created using BibDesk.
2			%% http://bibdesk.sourceforge.net/
3
4
5	skuang	3773	%% Created for Shenyu Kuang at 2011-12-06 14:23:44 -0500
6	skuang	3770
7
8			%% Saved with string encoding Unicode (UTF-8)
9
10
11
12	skuang	3773	@article{hoover85,
13			Author = {W.~G. Hoover},
14			Date-Added = {2011-12-06 14:23:41 -0500},
15			Date-Modified = {2011-12-06 14:23:41 -0500},
16			Journal = pra,
17			Pages = 1695,
18			Title = {Canonical dynamics: Equilibrium phase-space distributions},
19			Volume = 31,
20			Year = 1985}
21
22	skuang	3771	@article{Maginn:2010,
23			Abstract = {The reverse nonequilibrium molecular dynamics
24			(RNEMD) method calculates the shear viscosity of a
25			fluid by imposing a nonphysical exchange of momentum
26			and measuring the resulting shear velocity
27			gradient. In this study we investigate the range of
28			momentum flux values over which RNEMD yields usable
29			(linear) velocity gradients. We find that nonlinear
30			velocity profiles result primarily from gradients in
31			fluid temperature and density. The temperature
32			gradient results from conversion of heat into bulk
33			kinetic energy, which is transformed back into heat
34			elsewhere via viscous heating. An expression is
35			derived to predict the temperature profile resulting
36			from a specified momentum flux for a given fluid and
37			simulation cell. Although primarily bounded above,
38			we also describe milder low-flux limitations. RNEMD
39			results for a Lennard-Jones fluid agree with
40			equilibrium molecular dynamics and conventional
41			nonequilibrium molecular dynamics calculations at
42			low shear, but RNEMD underpredicts viscosity
43			relative to conventional NEMD at high shear.},
44			Address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA},
45			Affiliation = {Tenney, CM (Reprint Author), Univ Notre Dame, Dept Chem \& Biomol Engn, 182 Fitzpatrick Hall, Notre Dame, IN 46556 USA. {[}Tenney, Craig M.; Maginn, Edward J.] Univ Notre Dame, Dept Chem \& Biomol Engn, Notre Dame, IN 46556 USA.},
46			Article-Number = {014103},
47			Author = {Tenney, Craig M. and Maginn, Edward J.},
48			Author-Email = {ed@nd.edu},
49			Date-Added = {2011-12-05 18:29:08 -0500},
50			Date-Modified = {2011-12-05 18:29:08 -0500},
51			Doc-Delivery-Number = {542DQ},
52			Doi = {10.1063/1.3276454},
53			Funding-Acknowledgement = {U.S. Department of Energy {[}DE-FG36-08G088020]},
54			Funding-Text = {Support for this work was provided by the U.S. Department of Energy (Grant No. DE-FG36-08G088020)},
55			Issn = {0021-9606},
56			Journal = {J. Chem. Phys.},
57			Journal-Iso = {J. Chem. Phys.},
58			Keywords = {Lennard-Jones potential; molecular dynamics method; Navier-Stokes equations; viscosity},
59			Keywords-Plus = {CURRENT AUTOCORRELATION-FUNCTION; IONIC LIQUID; SIMULATIONS; TEMPERATURE},
60			Language = {English},
61			Month = {JAN 7},
62			Number = {1},
63			Number-Of-Cited-References = {20},
64			Pages = {014103},
65			Publisher = {AMER INST PHYSICS},
66			Subject-Category = {Physics, Atomic, Molecular \& Chemical},
67			Times-Cited = {0},
68			Title = {Limitations and recommendations for the calculation of shear viscosity using reverse nonequilibrium molecular dynamics},
69			Type = {Article},
70			Unique-Id = {ISI:000273472300004},
71			Volume = {132},
72			Year = {2010},
73			Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.3276454}}
74
75			@article{ISI:000080382700030,
76			Abstract = {A nonequilibrium method for calculating the shear
77			viscosity is presented. It reverses the
78			cause-and-effect picture customarily used in
79			nonequilibrium molecular dynamics: the effect, the
80			momentum flux or stress, is imposed, whereas the
81			cause, the velocity gradient or shear rate, is
82			obtained from the simulation. It differs from other
83			Norton-ensemble methods by the way in which the
84			steady-state momentum flux is maintained. This
85			method involves a simple exchange of particle
86			momenta, which is easy to implement. Moreover, it
87			can be made to conserve the total energy as well as
88			the total linear momentum, so no coupling to an
89			external temperature bath is needed. The resulting
90			raw data, the velocity profile, is a robust and
91			rapidly converging property. The method is tested on
92			the Lennard-Jones fluid near its triple point. It
93			yields a viscosity of 3.2-3.3, in Lennard-Jones
94			reduced units, in agreement with literature
95			results. {[}S1063-651X(99)03105-0].},
96			Address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA},
97			Affiliation = {Muller-Plathe, F (Reprint Author), Max Planck Inst Polymerforsch, Ackermannweg 10, D-55128 Mainz, Germany. Max Planck Inst Polymerforsch, D-55128 Mainz, Germany.},
98			Author = {M\"{u}ller-Plathe, F},
99			Date-Added = {2011-12-05 18:18:37 -0500},
100			Date-Modified = {2011-12-05 18:18:37 -0500},
101			Doc-Delivery-Number = {197TX},
102			Issn = {1063-651X},
103			Journal = {Phys. Rev. E},
104			Journal-Iso = {Phys. Rev. E},
105			Language = {English},
106			Month = {MAY},
107			Number = {5, Part A},
108			Number-Of-Cited-References = {17},
109			Pages = {4894-4898},
110			Publisher = {AMERICAN PHYSICAL SOC},
111			Subject-Category = {Physics, Fluids \& Plasmas; Physics, Mathematical},
112			Times-Cited = {57},
113			Title = {Reversing the perturbation in nonequilibrium molecular dynamics: An easy way to calculate the shear viscosity of fluids},
114			Type = {Article},
115			Unique-Id = {ISI:000080382700030},
116			Volume = {59},
117			Year = {1999}}
118
119			@article{MullerPlathe:1997xw,
120			Abstract = {A nonequilibrium molecular dynamics method for
121			calculating the thermal conductivity is
122			presented. It reverses the usual cause and effect
123			picture. The ''effect,'' the heat flux, is imposed
124			on the system and the ''cause,'' the temperature
125			gradient is obtained from the simulation. Besides
126			being very simple to implement, the scheme offers
127			several advantages such as compatibility with
128			periodic boundary conditions, conservation of total
129			energy and total linear momentum, and the sampling
130			of a rapidly converging quantity (temperature
131			gradient) rather than a slowly converging one (heat
132			flux). The scheme is tested on the Lennard-Jones
133			fluid. (C) 1997 American Institute of Physics.},
134			Address = {WOODBURY},
135			Author = {M\"{u}ller-Plathe, F.},
136			Cited-Reference-Count = {13},
137			Date = {APR 8},
138			Date-Added = {2011-12-05 18:18:37 -0500},
139			Date-Modified = {2011-12-05 18:18:37 -0500},
140			Document-Type = {Article},
141			Isi = {ISI:A1997WR62000032},
142			Isi-Document-Delivery-Number = {WR620},
143			Iso-Source-Abbreviation = {J. Chem. Phys.},
144			Issn = {0021-9606},
145			Journal = {J. Chem. Phys.},
146			Language = {English},
147			Month = {Apr},
148			Number = {14},
149			Page-Count = {4},
150			Pages = {6082--6085},
151			Publication-Type = {J},
152			Publisher = {AMER INST PHYSICS},
153			Publisher-Address = {CIRCULATION FULFILLMENT DIV, 500 SUNNYSIDE BLVD, WOODBURY, NY 11797-2999},
154			Reprint-Address = {MullerPlathe, F, MAX PLANCK INST POLYMER RES, D-55128 MAINZ, GERMANY.},
155			Source = {J CHEM PHYS},
156			Subject-Category = {Physics, Atomic, Molecular & Chemical},
157			Times-Cited = {106},
158			Title = {A simple nonequilibrium molecular dynamics method for calculating the thermal conductivity},
159			Volume = {106},
160			Year = {1997}}
161
162	skuang	3770	@article{priezjev:204704,
163			Author = {Nikolai V. Priezjev},
164			Date-Added = {2011-11-28 14:39:18 -0500},
165			Date-Modified = {2011-11-28 14:39:18 -0500},
166			Doi = {10.1063/1.3663384},
167			Eid = {204704},
168			Journal = {The Journal of Chemical Physics},
169			Keywords = {channel flow; diffusion; flow simulation; hydrodynamics; molecular dynamics method; pattern formation; random processes; shear flow; slip flow; wetting},
170			Number = {20},
171			Numpages = {9},
172			Pages = {204704},
173			Publisher = {AIP},
174			Title = {Molecular diffusion and slip boundary conditions at smooth surfaces with periodic and random nanoscale textures},
175			Url = {http://link.aip.org/link/?JCP/135/204704/1},
176			Volume = {135},
177			Year = {2011},
178			Bdsk-Url-1 = {http://link.aip.org/link/?JCP/135/204704/1},
179			Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.3663384}}
180
181			@article{bryk:10258,
182			Author = {Taras Bryk and A. D. J. Haymet},
183			Date-Added = {2011-11-22 17:06:35 -0500},
184			Date-Modified = {2011-11-22 17:06:35 -0500},
185			Doi = {10.1063/1.1519538},
186			Journal = {The Journal of Chemical Physics},
187			Keywords = {liquid structure; molecular dynamics method; water; ice; interface structure},
188			Number = {22},
189			Pages = {10258-10268},
190			Publisher = {AIP},
191			Title = {Ice 1h/water interface of the SPC/E model: Molecular dynamics simulations of the equilibrium basal and prism interfaces},
192			Url = {http://link.aip.org/link/?JCP/117/10258/1},
193			Volume = {117},
194			Year = {2002},
195			Bdsk-Url-1 = {http://link.aip.org/link/?JCP/117/10258/1},
196			Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1519538}}
197
198			@article{kuang:164101,
199			Author = {Shenyu Kuang and J. Daniel Gezelter},
200			Date-Added = {2011-11-18 15:32:23 -0500},
201			Date-Modified = {2011-11-18 15:32:23 -0500},
202			Doi = {10.1063/1.3499947},
203			Eid = {164101},
204			Journal = {J. Chem. Phys.},
205			Keywords = {linear momentum; molecular dynamics method; thermal conductivity; total energy; viscosity},
206			Number = {16},
207			Numpages = {9},
208			Pages = {164101},
209			Publisher = {AIP},
210			Title = {A gentler approach to RNEMD: Nonisotropic velocity scaling for computing thermal conductivity and shear viscosity},
211			Url = {http://link.aip.org/link/?JCP/133/164101/1},
212			Volume = {133},
213			Year = {2010},
214			Bdsk-Url-1 = {http://link.aip.org/link/?JCP/133/164101/1},
215			Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.3499947}}
216
217			@misc{openmd,
218			Author = {J. Daniel Gezelter and Shenyu Kuang and James Marr and Kelsey Stocker and Chunlei Li and Charles F. Vardeman and Teng Lin and Christopher J. Fennell and Xiuquan Sun and Kyle Daily and Yang Zheng and Matthew A. Meineke},
219			Date-Added = {2011-11-18 15:32:23 -0500},
220			Date-Modified = {2011-11-18 15:32:23 -0500},
221			Howpublished = {Available at {\tt http://openmd.net}},
222			Title = {{OpenMD, an open source engine for molecular dynamics}}}
223
224	skuang	3771	@article{kuang:AuThl,
225	skuang	3770	Author = {Kuang, Shenyu and Gezelter, J. Daniel},
226			Date-Added = {2011-11-18 13:03:06 -0500},
227	skuang	3771	Date-Modified = {2011-12-05 17:58:01 -0500},
228	skuang	3770	Doi = {10.1021/jp2073478},
229			Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp2073478},
230			Journal = {The Journal of Physical Chemistry C},
231			Number = {45},
232			Pages = {22475-22483},
233			Title = {Simulating Interfacial Thermal Conductance at Metal-Solvent Interfaces: The Role of Chemical Capping Agents},
234			Url = {http://pubs.acs.org/doi/abs/10.1021/jp2073478},
235			Volume = {115},
236			Year = {2011},
237			Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp2073478},
238			Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp2073478}}
239
240			@article{10.1063/1.2772547,
241			Author = {Hideo Kaburaki and Ju Li and Sidney Yip and Hajime Kimizuka},
242			Coden = {JAPIAU},
243			Date-Added = {2011-11-01 16:46:32 -0400},
244			Date-Modified = {2011-11-01 16:46:32 -0400},
245			Doi = {DOI:10.1063/1.2772547},
246			Eissn = {10897550},
247			Issn = {00218979},
248			Keywords = {argon; Lennard-Jones potential; phonons; thermal conductivity;},
249			Number = {4},
250			Pages = {043514},
251			Publisher = {AIP},
252			Title = {Dynamical thermal conductivity of argon crystal},
253			Url = {http://dx.doi.org/10.1063/1.2772547},
254			Volume = {102},
255			Year = {2007},
256			Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.2772547}}
257
258			@article{PhysRevLett.82.4671,
259			Author = {Barrat, Jean-Louis and Bocquet, Lyd\'eric},
260			Date-Added = {2011-11-01 16:44:29 -0400},
261			Date-Modified = {2011-11-01 16:44:29 -0400},
262			Doi = {10.1103/PhysRevLett.82.4671},
263			Issue = {23},
264			Journal = {Phys. Rev. Lett.},
265			Month = {Jun},
266			Pages = {4671--4674},
267			Publisher = {American Physical Society},
268			Title = {Large Slip Effect at a Nonwetting Fluid-Solid Interface},
269			Url = {http://link.aps.org/doi/10.1103/PhysRevLett.82.4671},
270			Volume = {82},
271			Year = {1999},
272			Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.82.4671},
273			Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.82.4671}}
274
275			@article{10.1063/1.1610442,
276			Author = {J. R. Schmidt and J. L. Skinner},
277			Coden = {JCPSA6},
278			Date-Added = {2011-10-13 16:28:43 -0400},
279			Date-Modified = {2011-10-13 16:28:43 -0400},
280			Doi = {DOI:10.1063/1.1610442},
281			Eissn = {10897690},
282			Issn = {00219606},
283			Keywords = {hydrodynamics; Brownian motion; molecular dynamics method; diffusion;},
284			Number = {15},
285			Pages = {8062-8068},
286			Publisher = {AIP},
287			Title = {Hydrodynamic boundary conditions, the Stokes?Einstein law, and long-time tails in the Brownian limit},
288			Url = {http://dx.doi.org/10.1063/1.1610442},
289			Volume = {119},
290			Year = {2003},
291			Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.1610442}}
292
293			@article{10.1063/1.3274802,
294			Author = {Ting Chen and Berend Smit and Alexis T. Bell},
295			Coden = {JCPSA6},
296			Doi = {DOI:10.1063/1.3274802},
297			Eissn = {10897690},
298			Issn = {00219606},
299			Keywords = {fluctuations; molecular dynamics method; viscosity;},
300			Number = {24},
301			Pages = {246101},
302			Publisher = {AIP},
303			Title = {Are pressure fluctuation-based equilibrium methods really worse than nonequilibrium methods for calculating viscosities?},
304			Url = {http://dx.doi.org/doi/10.1063/1.3274802},
305			Volume = {131},
306			Year = {2009},
307			Bdsk-Url-1 = {http://dx.doi.org/doi/10.1063/1.3274802},
308			Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.3274802}}