Molecular dynamics exploration of thin liquid films on solid surfaces. 1. Monatomic fluid films

Nanoscale and Microscale Thermophysical Engineering

Volumn 9, Issue 4, 2005, Pages 331-349

  Wemhoff, A P ^a,b   Carey, V P ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

Author keywords

Grand canonical ensemble; Liquid solid interaction; Molecular dynamics; Stochastic methods

Indexed keywords

GRAND CANONICAL ENSEMBLE; LIQUID-SOLID INTERACTION; STOCHASTIC METHODS;

COMPUTER SIMULATION; PRESSURE EFFECTS; RANDOM PROCESSES; THIN FILMS; VAPORS;

MOLECULAR DYNAMICS;

EID: 29044438311     PISSN: 10893954     EISSN: 10917640     Source Type: Journal    
DOI: 10.1080/10893950500357814     Document Type: Article

References (37)

1. G. J. Martyna, D. J. Tobias, and M. L. Klein, Constant-Pressure Molecular Dynamics Algorithms, Journal of Chemical Physics, vol. 101, pp. 4177-4189, 1994.
2. H. C. Andersen, Molecular Dynamics at Constant Pressure and/or Temperature, Journal of Chemical Physics, vol. 72, pp. 2384-2393, 1980.
3. S. Nose, A Unified Formulation of the Constant Temperature Molecular Dynamics Method, Journal of Chemical Physics, vol. 81, pp. 511-519, 1984.
4. S. Nose, A Molecular Dynamics Method for Simulation in the Canonical Ensemble, Molecular Physics, vol. 52, pp. 255-268, 1984.
5. W. G. Hoover, Canonical Dynamics: Equilibrium Phase-Space Distributions, Physical Review A, vol. 31, pp. 1695-1697, 1985.
6. W. G. Hoover, Constant Pressure Equations of Motion, Physical Review A, vol. 34, pp. 2499-2500, 1986.
7. S. Toxvaerd, Molecular Dynamics at Constant Temperature and Pressure, Physical Review E, vol. 47, pp. 343-350, 1993.
8. M. Parrinello and A. Rahman, Polymorphic Transitions in Single Crystals: A New Molecular Dynamics Method, Journal of Applied Physics, vol. 52, pp. 7182-7190, 1981.
9. K. S. Liu, Phase Separation of Lennard-Jones Systems: A Film in Equilibrium with Vapor, Journal of Chemical Physics, vol. 60, pp. 4226-4230, 1974.
10. R. M. Townsend, J. Gryko, and S. A. Rice, Structure of the Liquid-Vapor Interface of Water, Journal of Chemical Physics, vol. 82, pp. 4391-4392, 1985.
11. D. O. Dunikov, S. P. Malyshenko, and V. V. Zhakhovskii, Corresponding States Law and Molecular Dynamics Simulations of the Lennard-Jones Fluid, Journal of Chemical Physics, vol. 115, pp. 6623-6631, 2001.
12. V. Gerweck and G. Yadigaroglu, A Local Equation of State for a Fluid in the Presence of a Wall and Its Application to Rewetting, International Journal of Heat and Mass Transfer, vol. 35, pp. 1823-1832, 1992.
13. V. P. Carey and A.P. Wemhoff, Thermodynamic Analysis of Near-Wall Effects on Phase Stability and Homogeneous Nucleation During Rapid Surface Heating, International Journal of Heat and Mass Transfer, in press, 2005.
14. J. Hove and J. A. Krumahnsl, The Evaluation of Lattice Sums for Cubic Crystals, Physical Review, vol. 92, pp. 569-572, 1953.
15. W. A. Steele, The Physical Interaction of Gases with Crystalline Solids. I. Gas-Solid Energies and Properties of Isolated Adsorbed Atoms, Surface Science, vol. 36, pp. 317-352, 1973.
16. I. K. Snook and W. van Megan, Solvation Forces in Simple Dense Fluids, Journal of Chemical Physics, vol. 72, pp. 2907-2913, 1980.
17. A. D. Novaco and F. J. Milford, Adsorption of Helium on Rare-Gas-Plated Graphite, Physical Review A, vol. 5, pp. 783-789, 1972.
18. F. F. Abraham, The Interfacial Density Profile of a Lennard-Jones Fluid in Contact with a (100) Lennard-Jones Wall and Its Relationship to Idealized Fluid/Wall Systems: A Monte Carlo Simulation, Journal of Chemical Physics, vol. 68, pp. 3713-3716, 1978.
19. A. D. Novaco and F. J. Milford, Quantum States of He Atoms Adsorbed on Surfaces of Rare Gas Solids, Journal of Low Temperature Physics, vol. 3, pp. 307-326, 1970.
20. F. Ricca, C. Pisani, and E. Garrone, States of Helium Atoms Adsorbed on Krypton and Xenon Crystals, Journal of Chemical Physics, vol. 51, pp. 4079-4091, 1969.
21. S. Toxvaerd, The Structure and Thermodynamics of a Solid-Fluid Interface, Journal of Chemical Physics, vol. 74, pp. 1998-2005, 1981.
22. J. J. Magda, M. Tirrell, and H. T. Davis, Molecular Dynamics of Narrow, Liquid-Filled Pores, Journal of Chemical Physics, vol. 83, pp. 1888-1901, 1985.
23. P. Yi, D. Poulikakos, J. Walther, and G. Yadigaroglu, Molecular Dynamics Simulation of Vaporization of an Ultra-Thin Liquid Argon Layer on a Surface, International Journal of Heat and Mass Transfer, vol. 45, pp. 2087-2100, 2002.
24. F. Raghavan, K. Foster, K. Motakabbir, and M. Berkowitz, Structure and Dynamics of Water at the Pt(111) Interface: Molecular Dynamics Study, Journal of Chemical Physics, vol. 94, pp. 2110-2117, 1991.
25. K. Raghavan, K. Foster, and M. Berkowitz, Comparison of the Structure and Dynamics of Water at the Pt(111) and Pt(100) Interfaces: Molecular Dynamics Study, Chemical Physics Letters, vol. 177, pp. 426-432, 1991.
26. A. P. Wemhoff and V. P. Carey, Exploration of Nanoscale Features of Thin Liquid Films on Solid Surfaces Using Molecular Dynamics Simulations, Proceedings of the 2004 ASME International Mechanical Engineering Conference and RD&D Exposition, paper IMECE2004-59429, 2004.
27. G. E. P. Box and M. E. Muller, A Note on the Generation of Random Normal Deviates, Annual Mathematical Statistics, vol. 29, pp. 610-611, 1958.
28. American Society of Heating, Refrigerating, and Air-Conditioning Engineers, ASHRAE Fundamentals Handbook, ASHRAE, Atlanta, 2001.
29. V. P. Carey, Statistical Thermodynamics and Microscale Thermophysics, Cambridge University Press, Cambridge, 1999.
30. D. Frenkel and B. Smit, Understanding molecular simulation; From algorithms to applications, 2nd ed., Academic Press, San Diego, 2002.
31. V. P. Carey and N. E. Hawks, Stochastic Modeling of Molecular Transport to an Evaporating Microdroplet in a Superheated Gas, Journal of Heat Transfer, vol. 117, pp. 432-439, 1995.
32. J. G. Weng, S. Park, J. R. Lukes, and C. L. Tien, Molecular Dynamics Investigation of Thickness Effect on Liquid Films, Journal of Chemical Physics, vol. 113, pp. 5917-5923, 2000.
33. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids, Clarendon Press, Oxford, 1987.
34. A. P. Wemhoff and V. P. Carey, Surface Tension Prediction Using Characteristics of the Density Profile Through the Interfacial Region, International Journal of Thermophysics, in press.
35. J. D. Van der Waals, On the Continuity of the Gaseous and Liquid States, In J. S. Rowlinson (ed.), Studies in Statistical Mechanics, vol. 14, North Holland, Amsterdam, 1988.
36. V. P. Carey, Liquid-Vapor Phase-Change Phenomena, Taylor and Francis, New York, 1992.
37. J. Israelachvili, Intermolecular and Surface Forces, Academic Press, London, 1992.