[ViewVC] Diff of: group/trunk/openmdDocs/openmdDoc.bib

Comparing trunk/openmdDocs/openmdDoc.bib (file contents):
Revision 3792 by kstocke1, Wed May 11 15:22:29 2011 UTC vs.
Revision 3793 by skuang, Mon Aug 20 21:03:35 2012 UTC

+%% http://bibdesk.sourceforge.net/
-<
+%% Created for Kelsey Stocker at 2011-05-11 11:18:09 -0400
->
+%% Created for Shenyu Kuang at 2012-08-20 16:52:36 -0400
+%% Saved with string encoding Unicode (UTF-8)
+@string{prl = {Phys. Rev. Lett.}}
+@string{rmp = {Rev. Mod. Phys.}}
-+
-+
-+
+@article{kuang:AuThl,
-+
+        Author = {Kuang, Shenyu and Gezelter, J. Daniel},
-+
+        Date-Added = {2012-08-20 20:52:32 +0000},
-+
+        Date-Modified = {2012-08-20 20:52:32 +0000},
-+
+        Doi = {10.1021/jp2073478},
-+
+        Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp2073478},
-+
+        Journal = {J. Phys. Chem. 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{2012MolPh.110..691K,
-+
+        Adsnote = {Provided by the SAO/NASA Astrophysics Data System},
-+
+        Adsurl = {http://adsabs.harvard.edu/abs/2012MolPh.110..691K},
-+
+        Author = {{Kuang}, S. and {Gezelter}, J.~D.},
-+
+        Date-Added = {2012-08-20 20:48:58 +0000},
-+
+        Date-Modified = {2012-08-20 20:48:58 +0000},
-+
+        Doi = {10.1080/00268976.2012.680512},
-+
+        Journal = {Molecular Physics},
-+
+        Month = may,
-+
+        Pages = {691-701},
-+
+        Title = {{Velocity shearing and scaling RNEMD: a minimally perturbing method for simulating temperature and momentum gradients}},
-+
+        Volume = 110,
-+
+        Year = 2012,
-+
+        Bdsk-Url-1 = {http://dx.doi.org/10.1080/00268976.2012.680512}}
-+
-+
+@article{kuang:164101,
-+
+        Author = {Shenyu Kuang and J. Daniel Gezelter},
-+
+        Date-Added = {2012-08-20 19:01:18 +0000},
-+
+        Date-Modified = {2012-08-20 19:01:18 +0000},
-+
+        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}}
-+
-+
+@article{Maginn:2010,
-+
+        Abstract = {The reverse nonequilibrium molecular dynamics
-+
+                  (RNEMD) method calculates the shear viscosity of a
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+                  fluid by imposing a nonphysical exchange of momentum
-+
+                  and measuring the resulting shear velocity
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+                  gradient. In this study we investigate the range of
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+                  momentum flux values over which RNEMD yields usable
-+
+                  (linear) velocity gradients. We find that nonlinear
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+                  velocity profiles result primarily from gradients in
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+                  fluid temperature and density. The temperature
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+                  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
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+                  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 = {2012-08-20 18:56:53 +0000},
-+
+        Date-Modified = {2012-08-20 18:56:53 +0000},
-+
+        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{MullerPlathe:1997xw,
-+
+        Abstract = {A nonequilibrium molecular dynamics method for
-+
+                  calculating the thermal conductivity is
-+
+                  presented. It reverses the usual cause and effect
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+                  picture. The ``effect,'' the heat flux, is imposed
-+
+                  on the system and the ``cause,'' the temperature
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+                  gradient is obtained from the simulation. Besides
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+                  being very simple to implement, the scheme offers
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+                  several advantages such as compatibility with
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+                  periodic boundary conditions, conservation of total
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+                  energy and total linear momentum, and the sampling
-+
+                  of a rapidly converging quantity (temperature
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+                  gradient) rather than a slowly converging one (heat
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+                  flux). The scheme is tested on the Lennard-Jones
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+                  fluid. (C) 1997 American Institute of Physics.},
-+
+        Address = {WOODBURY},
-+
+        Author = {M\"{u}ller-Plathe, F.},
-+
+        Cited-Reference-Count = {13},
-+
+        Date = {APR 8},
-+
+        Date-Added = {2012-08-20 18:53:56 +0000},
-+
+        Date-Modified = {2012-08-20 18:53:56 +0000},
-+
+        Document-Type = {Article},
-+
+        Isi = {ISI:A1997WR62000032},
-+
+        Isi-Document-Delivery-Number = {WR620},
-+
+        Iso-Source-Abbreviation = {J. Chem. Phys.},
-+
+        Issn = {0021-9606},
-+
+        Journal = jcp,
-+
+        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{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 = {2012-08-20 18:52:38 +0000},
-+
+        Date-Modified = {2012-08-20 18:52:38 +0000},
-+
+        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{Vardeman2011,
+        Author = {Vardeman, Charles F. II and Stocker, Kelsey M. and Gezelter, J. Daniel},
+        Date-Added = {2011-05-11 11:18:00 -0400},

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Comparing trunk/openmdDocs/openmdDoc.bib (file contents): Revision 3792 by kstocke1, Wed May 11 15:22:29 2011 UTC vs. Revision 3793 by skuang, Mon Aug 20 21:03:35 2012 UTC

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Comparing trunk/openmdDocs/openmdDoc.bib (file contents):
Revision 3792 by kstocke1, Wed May 11 15:22:29 2011 UTC vs.
Revision 3793 by skuang, Mon Aug 20 21:03:35 2012 UTC