group/stokes/stokes.bib

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


%% Created for Shenyu Kuang at 2011-12-05 18:29:14 -0500 


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


@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:	3771
Committed:	Tue Dec 6 01:26:56 2011 UTC (12 years, 9 months ago) by skuang
File size:	13350 byte(s)
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#	User	Rev	Content
1	skuang	3770	%% This BibTeX bibliography file was created using BibDesk.
2			%% http://bibdesk.sourceforge.net/
3
4
5	skuang	3771	%% Created for Shenyu Kuang at 2011-12-05 18:29:14 -0500
6	skuang	3770
7
8			%% Saved with string encoding Unicode (UTF-8)
9
10
11
12	skuang	3771	@article{Maginn:2010,
13			Abstract = {The reverse nonequilibrium molecular dynamics
14			(RNEMD) method calculates the shear viscosity of a
15			fluid by imposing a nonphysical exchange of momentum
16			and measuring the resulting shear velocity
17			gradient. In this study we investigate the range of
18			momentum flux values over which RNEMD yields usable
19			(linear) velocity gradients. We find that nonlinear
20			velocity profiles result primarily from gradients in
21			fluid temperature and density. The temperature
22			gradient results from conversion of heat into bulk
23			kinetic energy, which is transformed back into heat
24			elsewhere via viscous heating. An expression is
25			derived to predict the temperature profile resulting
26			from a specified momentum flux for a given fluid and
27			simulation cell. Although primarily bounded above,
28			we also describe milder low-flux limitations. RNEMD
29			results for a Lennard-Jones fluid agree with
30			equilibrium molecular dynamics and conventional
31			nonequilibrium molecular dynamics calculations at
32			low shear, but RNEMD underpredicts viscosity
33			relative to conventional NEMD at high shear.},
34			Address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA},
35			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.},
36			Article-Number = {014103},
37			Author = {Tenney, Craig M. and Maginn, Edward J.},
38			Author-Email = {ed@nd.edu},
39			Date-Added = {2011-12-05 18:29:08 -0500},
40			Date-Modified = {2011-12-05 18:29:08 -0500},
41			Doc-Delivery-Number = {542DQ},
42			Doi = {10.1063/1.3276454},
43			Funding-Acknowledgement = {U.S. Department of Energy {[}DE-FG36-08G088020]},
44			Funding-Text = {Support for this work was provided by the U.S. Department of Energy (Grant No. DE-FG36-08G088020)},
45			Issn = {0021-9606},
46			Journal = {J. Chem. Phys.},
47			Journal-Iso = {J. Chem. Phys.},
48			Keywords = {Lennard-Jones potential; molecular dynamics method; Navier-Stokes equations; viscosity},
49			Keywords-Plus = {CURRENT AUTOCORRELATION-FUNCTION; IONIC LIQUID; SIMULATIONS; TEMPERATURE},
50			Language = {English},
51			Month = {JAN 7},
52			Number = {1},
53			Number-Of-Cited-References = {20},
54			Pages = {014103},
55			Publisher = {AMER INST PHYSICS},
56			Subject-Category = {Physics, Atomic, Molecular \& Chemical},
57			Times-Cited = {0},
58			Title = {Limitations and recommendations for the calculation of shear viscosity using reverse nonequilibrium molecular dynamics},
59			Type = {Article},
60			Unique-Id = {ISI:000273472300004},
61			Volume = {132},
62			Year = {2010},
63			Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.3276454}}
64
65			@article{ISI:000080382700030,
66			Abstract = {A nonequilibrium method for calculating the shear
67			viscosity is presented. It reverses the
68			cause-and-effect picture customarily used in
69			nonequilibrium molecular dynamics: the effect, the
70			momentum flux or stress, is imposed, whereas the
71			cause, the velocity gradient or shear rate, is
72			obtained from the simulation. It differs from other
73			Norton-ensemble methods by the way in which the
74			steady-state momentum flux is maintained. This
75			method involves a simple exchange of particle
76			momenta, which is easy to implement. Moreover, it
77			can be made to conserve the total energy as well as
78			the total linear momentum, so no coupling to an
79			external temperature bath is needed. The resulting
80			raw data, the velocity profile, is a robust and
81			rapidly converging property. The method is tested on
82			the Lennard-Jones fluid near its triple point. It
83			yields a viscosity of 3.2-3.3, in Lennard-Jones
84			reduced units, in agreement with literature
85			results. {[}S1063-651X(99)03105-0].},
86			Address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA},
87			Affiliation = {Muller-Plathe, F (Reprint Author), Max Planck Inst Polymerforsch, Ackermannweg 10, D-55128 Mainz, Germany. Max Planck Inst Polymerforsch, D-55128 Mainz, Germany.},
88			Author = {M\"{u}ller-Plathe, F},
89			Date-Added = {2011-12-05 18:18:37 -0500},
90			Date-Modified = {2011-12-05 18:18:37 -0500},
91			Doc-Delivery-Number = {197TX},
92			Issn = {1063-651X},
93			Journal = {Phys. Rev. E},
94			Journal-Iso = {Phys. Rev. E},
95			Language = {English},
96			Month = {MAY},
97			Number = {5, Part A},
98			Number-Of-Cited-References = {17},
99			Pages = {4894-4898},
100			Publisher = {AMERICAN PHYSICAL SOC},
101			Subject-Category = {Physics, Fluids \& Plasmas; Physics, Mathematical},
102			Times-Cited = {57},
103			Title = {Reversing the perturbation in nonequilibrium molecular dynamics: An easy way to calculate the shear viscosity of fluids},
104			Type = {Article},
105			Unique-Id = {ISI:000080382700030},
106			Volume = {59},
107			Year = {1999}}
108
109			@article{MullerPlathe:1997xw,
110			Abstract = {A nonequilibrium molecular dynamics method for
111			calculating the thermal conductivity is
112			presented. It reverses the usual cause and effect
113			picture. The ''effect,'' the heat flux, is imposed
114			on the system and the ''cause,'' the temperature
115			gradient is obtained from the simulation. Besides
116			being very simple to implement, the scheme offers
117			several advantages such as compatibility with
118			periodic boundary conditions, conservation of total
119			energy and total linear momentum, and the sampling
120			of a rapidly converging quantity (temperature
121			gradient) rather than a slowly converging one (heat
122			flux). The scheme is tested on the Lennard-Jones
123			fluid. (C) 1997 American Institute of Physics.},
124			Address = {WOODBURY},
125			Author = {M\"{u}ller-Plathe, F.},
126			Cited-Reference-Count = {13},
127			Date = {APR 8},
128			Date-Added = {2011-12-05 18:18:37 -0500},
129			Date-Modified = {2011-12-05 18:18:37 -0500},
130			Document-Type = {Article},
131			Isi = {ISI:A1997WR62000032},
132			Isi-Document-Delivery-Number = {WR620},
133			Iso-Source-Abbreviation = {J. Chem. Phys.},
134			Issn = {0021-9606},
135			Journal = {J. Chem. Phys.},
136			Language = {English},
137			Month = {Apr},
138			Number = {14},
139			Page-Count = {4},
140			Pages = {6082--6085},
141			Publication-Type = {J},
142			Publisher = {AMER INST PHYSICS},
143			Publisher-Address = {CIRCULATION FULFILLMENT DIV, 500 SUNNYSIDE BLVD, WOODBURY, NY 11797-2999},
144			Reprint-Address = {MullerPlathe, F, MAX PLANCK INST POLYMER RES, D-55128 MAINZ, GERMANY.},
145			Source = {J CHEM PHYS},
146			Subject-Category = {Physics, Atomic, Molecular & Chemical},
147			Times-Cited = {106},
148			Title = {A simple nonequilibrium molecular dynamics method for calculating the thermal conductivity},
149			Volume = {106},
150			Year = {1997}}
151
152	skuang	3770	@article{priezjev:204704,
153			Author = {Nikolai V. Priezjev},
154			Date-Added = {2011-11-28 14:39:18 -0500},
155			Date-Modified = {2011-11-28 14:39:18 -0500},
156			Doi = {10.1063/1.3663384},
157			Eid = {204704},
158			Journal = {The Journal of Chemical Physics},
159			Keywords = {channel flow; diffusion; flow simulation; hydrodynamics; molecular dynamics method; pattern formation; random processes; shear flow; slip flow; wetting},
160			Number = {20},
161			Numpages = {9},
162			Pages = {204704},
163			Publisher = {AIP},
164			Title = {Molecular diffusion and slip boundary conditions at smooth surfaces with periodic and random nanoscale textures},
165			Url = {http://link.aip.org/link/?JCP/135/204704/1},
166			Volume = {135},
167			Year = {2011},
168			Bdsk-Url-1 = {http://link.aip.org/link/?JCP/135/204704/1},
169			Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.3663384}}
170
171			@article{bryk:10258,
172			Author = {Taras Bryk and A. D. J. Haymet},
173			Date-Added = {2011-11-22 17:06:35 -0500},
174			Date-Modified = {2011-11-22 17:06:35 -0500},
175			Doi = {10.1063/1.1519538},
176			Journal = {The Journal of Chemical Physics},
177			Keywords = {liquid structure; molecular dynamics method; water; ice; interface structure},
178			Number = {22},
179			Pages = {10258-10268},
180			Publisher = {AIP},
181			Title = {Ice 1h/water interface of the SPC/E model: Molecular dynamics simulations of the equilibrium basal and prism interfaces},
182			Url = {http://link.aip.org/link/?JCP/117/10258/1},
183			Volume = {117},
184			Year = {2002},
185			Bdsk-Url-1 = {http://link.aip.org/link/?JCP/117/10258/1},
186			Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1519538}}
187
188			@article{kuang:164101,
189			Author = {Shenyu Kuang and J. Daniel Gezelter},
190			Date-Added = {2011-11-18 15:32:23 -0500},
191			Date-Modified = {2011-11-18 15:32:23 -0500},
192			Doi = {10.1063/1.3499947},
193			Eid = {164101},
194			Journal = {J. Chem. Phys.},
195			Keywords = {linear momentum; molecular dynamics method; thermal conductivity; total energy; viscosity},
196			Number = {16},
197			Numpages = {9},
198			Pages = {164101},
199			Publisher = {AIP},
200			Title = {A gentler approach to RNEMD: Nonisotropic velocity scaling for computing thermal conductivity and shear viscosity},
201			Url = {http://link.aip.org/link/?JCP/133/164101/1},
202			Volume = {133},
203			Year = {2010},
204			Bdsk-Url-1 = {http://link.aip.org/link/?JCP/133/164101/1},
205			Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.3499947}}
206
207			@misc{openmd,
208			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},
209			Date-Added = {2011-11-18 15:32:23 -0500},
210			Date-Modified = {2011-11-18 15:32:23 -0500},
211			Howpublished = {Available at {\tt http://openmd.net}},
212			Title = {{OpenMD, an open source engine for molecular dynamics}}}
213
214	skuang	3771	@article{kuang:AuThl,
215	skuang	3770	Author = {Kuang, Shenyu and Gezelter, J. Daniel},
216			Date-Added = {2011-11-18 13:03:06 -0500},
217	skuang	3771	Date-Modified = {2011-12-05 17:58:01 -0500},
218	skuang	3770	Doi = {10.1021/jp2073478},
219			Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp2073478},
220			Journal = {The Journal of Physical Chemistry C},
221			Number = {45},
222			Pages = {22475-22483},
223			Title = {Simulating Interfacial Thermal Conductance at Metal-Solvent Interfaces: The Role of Chemical Capping Agents},
224			Url = {http://pubs.acs.org/doi/abs/10.1021/jp2073478},
225			Volume = {115},
226			Year = {2011},
227			Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp2073478},
228			Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp2073478}}
229
230			@article{10.1063/1.2772547,
231			Author = {Hideo Kaburaki and Ju Li and Sidney Yip and Hajime Kimizuka},
232			Coden = {JAPIAU},
233			Date-Added = {2011-11-01 16:46:32 -0400},
234			Date-Modified = {2011-11-01 16:46:32 -0400},
235			Doi = {DOI:10.1063/1.2772547},
236			Eissn = {10897550},
237			Issn = {00218979},
238			Keywords = {argon; Lennard-Jones potential; phonons; thermal conductivity;},
239			Number = {4},
240			Pages = {043514},
241			Publisher = {AIP},
242			Title = {Dynamical thermal conductivity of argon crystal},
243			Url = {http://dx.doi.org/10.1063/1.2772547},
244			Volume = {102},
245			Year = {2007},
246			Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.2772547}}
247
248			@article{PhysRevLett.82.4671,
249			Author = {Barrat, Jean-Louis and Bocquet, Lyd\'eric},
250			Date-Added = {2011-11-01 16:44:29 -0400},
251			Date-Modified = {2011-11-01 16:44:29 -0400},
252			Doi = {10.1103/PhysRevLett.82.4671},
253			Issue = {23},
254			Journal = {Phys. Rev. Lett.},
255			Month = {Jun},
256			Pages = {4671--4674},
257			Publisher = {American Physical Society},
258			Title = {Large Slip Effect at a Nonwetting Fluid-Solid Interface},
259			Url = {http://link.aps.org/doi/10.1103/PhysRevLett.82.4671},
260			Volume = {82},
261			Year = {1999},
262			Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.82.4671},
263			Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.82.4671}}
264
265			@article{10.1063/1.1610442,
266			Author = {J. R. Schmidt and J. L. Skinner},
267			Coden = {JCPSA6},
268			Date-Added = {2011-10-13 16:28:43 -0400},
269			Date-Modified = {2011-10-13 16:28:43 -0400},
270			Doi = {DOI:10.1063/1.1610442},
271			Eissn = {10897690},
272			Issn = {00219606},
273			Keywords = {hydrodynamics; Brownian motion; molecular dynamics method; diffusion;},
274			Number = {15},
275			Pages = {8062-8068},
276			Publisher = {AIP},
277			Title = {Hydrodynamic boundary conditions, the Stokes?Einstein law, and long-time tails in the Brownian limit},
278			Url = {http://dx.doi.org/10.1063/1.1610442},
279			Volume = {119},
280			Year = {2003},
281			Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.1610442}}
282
283			@article{10.1063/1.3274802,
284			Author = {Ting Chen and Berend Smit and Alexis T. Bell},
285			Coden = {JCPSA6},
286			Doi = {DOI:10.1063/1.3274802},
287			Eissn = {10897690},
288			Issn = {00219606},
289			Keywords = {fluctuations; molecular dynamics method; viscosity;},
290			Number = {24},
291			Pages = {246101},
292			Publisher = {AIP},
293			Title = {Are pressure fluctuation-based equilibrium methods really worse than nonequilibrium methods for calculating viscosities?},
294			Url = {http://dx.doi.org/doi/10.1063/1.3274802},
295			Volume = {131},
296			Year = {2009},
297			Bdsk-Url-1 = {http://dx.doi.org/doi/10.1063/1.3274802},
298			Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.3274802}}