33 |
|
Date-Added = {2010-09-16 19:01:51 -0400}, |
34 |
|
Date-Modified = {2010-09-16 19:01:51 -0400}, |
35 |
|
Doi = {10.1063/1.478738}, |
36 |
< |
Journal = {The Journal of Chemical Physics}, |
36 |
> |
Journal = {J. Chem. Phys.}, |
37 |
|
Keywords = {POTENTIAL ENERGY; COULOMB FIELD; COULOMB ENERGY; LATTICE PARAMETERS; potential energy functions; lattice dynamics; lattice energy}, |
38 |
|
Number = {17}, |
39 |
|
Pages = {8254-8282}, |
46 |
|
Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.478738}} |
47 |
|
|
48 |
|
@article{HeX:1993, |
49 |
< |
Abstract = {{A recently developed non-equilibrium molecular dynamics algorithm for |
49 |
> |
Abstract = {A recently developed non-equilibrium molecular dynamics algorithm for |
50 |
|
heat conduction is used to compute the thermal conductivity, thermal |
51 |
|
diffusion factor, and heat of transfer in binary Lennard-Jones |
52 |
|
mixtures. An internal energy flux is established with local source and |
68 |
|
side. Even for very large heat fluxes, we find a linear or almost |
69 |
|
linear temperature profile through the system, and a constant thermal |
70 |
|
conductivity. The entropy production per unit volume and unit time |
71 |
< |
increases from the hot to the cold side.}}, |
72 |
< |
Author = {HAFSKJOLD, B and IKESHOJI, T and RATKJE, SK}, |
71 |
> |
increases from the hot to the cold side.}, |
72 |
> |
Author = {Hafskjold, B and Ikeshoji, T and Ratkje, SK}, |
73 |
|
Date-Added = {2010-09-15 16:52:45 -0400}, |
74 |
|
Date-Modified = {2010-09-15 16:54:23 -0400}, |
75 |
|
Issn = {{0026-8976}}, |
76 |
< |
Journal = {{MOLECULAR PHYSICS}}, |
77 |
< |
Month = {{DEC 20}}, |
78 |
< |
Number = {{6}}, |
79 |
< |
Pages = {{1389-1412}}, |
80 |
< |
Title = {{ON THE MOLECULAR MECHANISM OF THERMAL-DIFFUSION IN LIQUIDS}}, |
81 |
< |
Unique-Id = {{ISI:A1993MQ34500009}}, |
82 |
< |
Volume = {{80}}, |
83 |
< |
Year = {{1993}}} |
76 |
> |
Journal = {Mol. Phys.}, |
77 |
> |
Month = {DEC}, |
78 |
> |
Number = {6}, |
79 |
> |
Pages = {1389-1412}, |
80 |
> |
Title = {ON THE MOLECULAR MECHANISM OF THERMAL-DIFFUSION IN LIQUIDS}, |
81 |
> |
Unique-Id = {ISI:A1993MQ34500009}, |
82 |
> |
Volume = {80}, |
83 |
> |
Year = {1993} |
84 |
> |
} |
85 |
|
|
86 |
|
@article{HeX:1994, |
87 |
< |
Abstract = {{This paper presents a new algorithm for non-equilibrium molecular |
87 |
> |
Abstract = {This paper presents a new algorithm for non-equilibrium molecular |
88 |
|
dynamics, where a temperature gradient is established in a system with |
89 |
|
periodic boundary conditions. At each time step in the simulation, a |
90 |
|
fixed amount of energy is supplied to a hot region by scaling the |
104 |
|
and a hot region in the perimeter of the cube, an initial gaseous state |
105 |
|
of argon was separated into gas and liquid phases. Energy fluxes due to |
106 |
|
intermolecular energy transfer and transport of kinetic energy dominate |
107 |
< |
in the liquid and gas phases, respectively.}}, |
108 |
< |
Author = {IKESHOJI, T and HAFSKJOLD, B}, |
107 |
> |
in the liquid and gas phases, respectively.}, |
108 |
> |
Author = {Ikeshoji, T and Hafskjold, B}, |
109 |
|
Date-Added = {2010-09-15 16:52:45 -0400}, |
110 |
|
Date-Modified = {2010-09-15 16:54:37 -0400}, |
111 |
< |
Issn = {{0026-8976}}, |
112 |
< |
Journal = {{MOLECULAR PHYSICS}}, |
113 |
< |
Month = {{FEB 10}}, |
114 |
< |
Number = {{2}}, |
115 |
< |
Pages = {{251-261}}, |
116 |
< |
Title = {{NONEQUILIBRIUM MOLECULAR-DYNAMICS CALCULATION OF HEAT-CONDUCTION IN LIQUID AND THROUGH LIQUID-GAS INTERFACE}}, |
117 |
< |
Unique-Id = {{ISI:A1994MY17400001}}, |
118 |
< |
Volume = {{81}}, |
119 |
< |
Year = {{1994}}} |
111 |
> |
Issn = {0026-8976}, |
112 |
> |
Journal = {Mol. Phys.}, |
113 |
> |
Month = {FEB}, |
114 |
> |
Number = {2}, |
115 |
> |
Pages = {251-261}, |
116 |
> |
Title = {NONEQUILIBRIUM MOLECULAR-DYNAMICS CALCULATION OF HEAT-CONDUCTION IN LIQUID AND THROUGH LIQUID-GAS INTERFACE}, |
117 |
> |
Unique-Id = {ISI:A1994MY17400001}, |
118 |
> |
Volume = {81}, |
119 |
> |
Year = {1994} |
120 |
> |
} |
121 |
|
|
122 |
|
@article{plech:195423, |
123 |
|
Author = {A. Plech and V. Kotaidis and S. Gresillon and C. Dahmen and G. von Plessen}, |
124 |
|
Date-Added = {2010-08-12 11:34:55 -0400}, |
125 |
|
Date-Modified = {2010-08-12 11:34:55 -0400}, |
126 |
|
Eid = {195423}, |
127 |
< |
Journal = {Physical Review B (Condensed Matter and Materials Physics)}, |
127 |
> |
Journal = {Phys. Rev. B}, |
128 |
|
Keywords = {gold; laser materials processing; melting; nanoparticles; time resolved spectra; X-ray scattering; lattice dynamics; high-speed optical techniques; cooling; thermal resistance; thermal conductivity; long-range order}, |
129 |
|
Local-Url = {file://localhost/Users/charles/Documents/Papers/PhysRevB_70_195423.pdf}, |
130 |
|
Number = {19}, |
171 |
|
Date-Added = {2010-08-06 17:02:22 -0400}, |
172 |
|
Date-Modified = {2010-08-06 17:02:22 -0400}, |
173 |
|
Doi = {10.1063/1.1524305}, |
174 |
< |
Journal = {Journal of Applied Physics}, |
174 |
> |
Journal = {J. Applied Phys.}, |
175 |
|
Keywords = {nanostructured materials; reviews; thermal conductivity; interface phenomena; molecular dynamics method; thermal management (packaging); Boltzmann equation; carbon nanotubes; porosity; semiconductor superlattices; thermoreflectance; interface phonons; thermoelectricity; phonon-phonon interactions}, |
176 |
|
Number = {2}, |
177 |
|
Pages = {793-818}, |
232 |
|
Isi = {000253512400021}, |
233 |
|
Isi-Recid = {160903603}, |
234 |
|
Isi-Ref-Recids = {144152922 81445483 98913099 146167982 55512304 50985260 52031423 29272311 151055545 134895634 130292830 101988637 100757730 98524559 123952006 6025131 59492217 2078548 135495737 136941603 90709964 160903604 130558416 113800688 30137926 117888234 63632785 38926953 158293976 135246439 125693419 125789026 155583142 156430464 65888620 130160487 97576420 109490154 150229560 116057234 134425927 142869781 121706070 89390336 119150946 143383743 64066027 171282998 142688207 51429664 84591083 127696312 58160909 155366996 155654757 137551818 128633299 109033408 120457571 171282999 124947095 126857514 49630702 64115284 84689627 71842426 96309965 79034659 92658330 146168029 119238036 144824430 132319357 160903607 171283000 100274448}, |
235 |
< |
Journal = {Journal of Physical Chemistry C}, |
235 |
> |
Journal = {J. Phys. Chem. C}, |
236 |
|
Month = mar, |
237 |
|
Number = {9}, |
238 |
|
Pages = {3283-3293}, |
389 |
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Date-Added = {2010-07-13 11:16:00 -0400}, |
390 |
|
Date-Modified = {2010-07-19 16:27:45 -0400}, |
391 |
|
Howpublished = {Available at {\tt http://openmd.net}}, |
392 |
< |
Title = {{OpenMD}}} |
392 |
> |
Title = {{OpenMD, an open source engine for molecular dynamics}}} |
393 |
|
|
394 |
|
@inbook{AshcroftMermin, |
395 |
< |
Author = {N.~David Mermin and Neil W. Ashcroft}, |
395 |
> |
Author = {Neil W. Ashcroft and N.~David Mermin}, |
396 |
|
Date-Added = {2010-07-12 14:26:49 -0400}, |
397 |
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Date-Modified = {2010-07-22 13:37:20 -0400}, |
398 |
|
Pages = {21}, |
399 |
|
Publisher = {Brooks Cole}, |
400 |
|
Title = {Solid State Physics}, |
401 |
< |
Year = {1976}} |
401 |
> |
Year = {1976}, |
402 |
> |
Address = {Belmont, CA} |
403 |
> |
} |
404 |
|
|
405 |
|
@book{WagnerKruse, |
406 |
|
Address = {Berlin}, |
409 |
|
Date-Modified = {2010-07-12 14:13:44 -0400}, |
410 |
|
Publisher = {Springer-Verlag}, |
411 |
|
Title = {Properties of Water and Steam, the Industrial Standard IAPWS-IF97 for the Thermodynamic Properties and Supplementary Equations for Other Properties}, |
412 |
< |
Year = {1998}} |
412 |
> |
Year = {1998} |
413 |
> |
} |
414 |
|
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415 |
|
@article{ISI:000266247600008, |
416 |
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Abstract = {Temperature dependence of viscosity of butyl-3-methylimidazolium |
1521 |
|
Title = {Polynomial root finding using iterated Eigenvalue computation}, |
1522 |
|
Year = {2001}, |
1523 |
|
Bdsk-Url-1 = {http://doi.acm.org/10.1145/384101.384119}} |
1524 |
+ |
|
1525 |
+ |
@article{Fennell06, |
1526 |
+ |
Author = {C.~J. Fennell and J.~D. Gezelter}, |
1527 |
+ |
Date-Added = {2006-08-24 09:49:57 -0400}, |
1528 |
+ |
Date-Modified = {2006-08-24 09:49:57 -0400}, |
1529 |
+ |
Doi = {10.1063/1.2206581}, |
1530 |
+ |
Journal = {J. Chem. Phys.}, |
1531 |
+ |
Number = {23}, |
1532 |
+ |
Pages = {234104(12)}, |
1533 |
+ |
Rating = {5}, |
1534 |
+ |
Read = {Yes}, |
1535 |
+ |
Title = {Is the \uppercase{E}wald summation still necessary? \uppercase{P}airwise alternatives to the accepted standard for long-range electrostatics}, |
1536 |
+ |
Volume = {124}, |
1537 |
+ |
Year = {2006}} |
1538 |
+ |
|
1539 |
+ |
@Book{Sommese2005, |
1540 |
+ |
author = {Andrew J. Sommese and Charles W. Wampler}, |
1541 |
+ |
title = {The numerical solution of systems of polynomials arising in engineering and science}, |
1542 |
+ |
publisher = {World Scientific Press}, |
1543 |
+ |
year = 2005, |
1544 |
+ |
address = {Singapore} |
1545 |
+ |
} |
1546 |
+ |
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