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Determining the shear viscosity of model liquids from molecular dynamics simulations
Open accessAbstract
Several methods are available for calculating shear viscosities of liquids from molecular dynamics simulations. There are equilibrium methods based on pressure or momentum fluctuations and several nonequilibrium methods. For the nonequilibrium method using a periodic shear flow, all relevant quantities, including the accuracy, can be estimated before performing the simulation. We compared the applicability, accuracy and efficiency of this method with two equilibrium methods and another nonequilibrium method, using simulations of a Lennard-Jones fluid and the SPC and SPC/E [(extended) simple point charge] water models.
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Citations
Cited by
Molecular origins of fluorocarbon hydrophobicity
Dalvi, V. H., & Rossky, P. J. (2010) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.0915169107 · Cited by 421
Osmotic coefficients of atomistic NaCl (aq) force fields
Hess, B., Holm, C., & van der Vegt, N. (2006) · The Journal of Chemical Physics · doi:10.1063/1.2185105 · Cited by 147
Self-citationMetastable Prepores in Tension-Free Lipid Bilayers
Ting, C. L., Awasthi, N., Müller, M., & Hub, J. S. (2018) · Physical Review Letters · doi:10.1103/physrevlett.120.128103 · Cited by 54
Shrivastava, K. C., Kumar, K. S. A., Sengupta, A., Ali, S. M., & Ramkumar, J. (2024) · Analytical Chemistry · doi:10.1021/acs.analchem.4c01357 · Cited by 9
Metadata
- Authors
- Hess, B.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 2002-01-01
- Volume
- 116
- Issue
- 1
- Pages
- 209-217
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2017019577
- Cited by
- 808
- References
- 0
- FWCI
- 3.77
- Type
- journal article
- Language
- en
- Open access
- bronze
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