dorsal/arxiv
View SchemaSimulations of a single membrane between two walls using a Monte Carlo method
| Authors | Nikolai Gouliaev, John F. Nagle |
|---|---|
| Categories | |
| ArXiv ID | physics/9805007 |
| URL | https://arxiv.org/abs/physics/9805007 |
| DOI | 10.1103/PhysRevE.58.881 |
Abstract
Quantitative theory of interbilayer interactions is essential to interpret x-ray scattering data and to elucidate these interactions for biologically relevant systems. For this purpose Monte Carlo simulations have been performed to obtain pressure P and positional fluctuations sigma. A new method, called Fourier Monte-Carlo (FMC), that is based on a Fourier representation of the displacement field, is developed and its superiority over the standard method is demonstrated. The FMC method is applied to simulating a single membrane between two hard walls, which models a stack of lipid bilayer membranes with non-harmonic interactions. Finite size scaling is demonstrated and used to obtain accurate values for P and sigma in the limit of a large continuous membrane. The results are compared with perturbation theory approximations, and numerical differences are found in the non-harmonic case. Therefore, the FMC method, rather than the approximations, should be used for establishing the connection between model potentials and observable quantities, as well as for pure modeling purposes.
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"abstract": "Quantitative theory of interbilayer interactions is essential to interpret\nx-ray scattering data and to elucidate these interactions for biologically\nrelevant systems. For this purpose Monte Carlo simulations have been performed\nto obtain pressure P and positional fluctuations sigma. A new method, called\nFourier Monte-Carlo (FMC), that is based on a Fourier representation of the\ndisplacement field, is developed and its superiority over the standard method\nis demonstrated. The FMC method is applied to simulating a single membrane\nbetween two hard walls, which models a stack of lipid bilayer membranes with\nnon-harmonic interactions. Finite size scaling is demonstrated and used to\nobtain accurate values for P and sigma in the limit of a large continuous\nmembrane. The results are compared with perturbation theory approximations, and\nnumerical differences are found in the non-harmonic case. Therefore, the FMC\nmethod, rather than the approximations, should be used for establishing the\nconnection between model potentials and observable quantities, as well as for\npure modeling purposes.",
"arxiv_id": "physics/9805007",
"authors": [
"Nikolai Gouliaev",
"John F. Nagle"
],
"categories": [
"physics.bio-ph",
"physics.comp-ph"
],
"doi": "10.1103/PhysRevE.58.881",
"title": "Simulations of a single membrane between two walls using a Monte Carlo method",
"url": "https://arxiv.org/abs/physics/9805007"
},
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