Zobrazeno 1 - 10
of 67
pro vyhledávání: '"Wilding, N. B."'
Autor:
Underwood, T. L., Purton, J. A., Manning, J. R. H., Brukhno, A. V., Stratford, K., Düren, T., Wilding, N. B., Parker, S. C.
We present an open source Python 3 library aimed at practitioners of molecular simulation, especially Monte Carlo simulation. The aims of the library are to facilitate the generation of simulation data for a wide range of problems; and to support dat
Externí odkaz:
http://arxiv.org/abs/2104.03822
We investigate Monte Carlo simulation strategies for determining the effective ("depletion") potential between a pair of hard spheres immersed in a dense sea of much smaller hard spheres. Two routes to the depletion potential are considered. The firs
Externí odkaz:
http://arxiv.org/abs/1306.5600
We show that condensation in a capped capillary slit is a continuous interfacial critical phenomenon, related intimately to several other surface phase transitions. In three dimensions (3d), the adsorption and desorption branches correspond to the un
Externí odkaz:
http://arxiv.org/abs/0704.2148
Autor:
Wilding, N. B.
The inverse problem for a disordered system involves determining the interparticle interaction parameters consistent with a given set of experimental data. Recently, Rutledge has shown (Phys. Rev. E63, 021111 (2001)) that such problems can be general
Externí odkaz:
http://arxiv.org/abs/cond-mat/0307613
The density profile and Gibbs adsorption of a near-critical fluid confined between two identical planar walls is studied by means of Monte Carlo simulation and by density functional theory for a Lennard-Jones fluid. By reducing the strength of wall-f
Externí odkaz:
http://arxiv.org/abs/cond-mat/0306028
Autor:
Bruce, A. D., Wilding, N. B.
We survey the portfolio of computational strategies available for tackling the generic problems of phase behavior - free-energy-estimation and coexistence-curve mapping.
Comment: 45 pages RevTex, 11 figures, Review article: Adv. Chem. Phys
Comment: 45 pages RevTex, 11 figures, Review article: Adv. Chem. Phys
Externí odkaz:
http://arxiv.org/abs/cond-mat/0210457
Publikováno v:
J. Chem. Phys. 115, 2702 (2001)
We study a model for an argon-like fluid parameterised in terms of a hard-core repulsion and a two-Yukawa potential. The liquid-gas phase behaviour of the model is obtained from the thermodynamically self-consistent Ornstein-Zernike approximation (SC
Externí odkaz:
http://arxiv.org/abs/cond-mat/0103276
Autor:
Wilding, N. B.
The task of accurately locating fluid phase boundaries by means of computer simulation is hampered by problems associated with sampling both coexisting phases in a single simulation run. We explain the physical background to these problems and descri
Externí odkaz:
http://arxiv.org/abs/cond-mat/0103248
Autor:
Wilding, N. B., Bruce, A. D.
We describe a Monte Carlo procedure which allows sampling of the disjoint configuration spaces associated with crystalline and fluid phases, within a single simulation. The method utilises biased sampling techniques to enhance the probabilities of ga
Externí odkaz:
http://arxiv.org/abs/cond-mat/0009062
Autor:
Schmid, F., Wilding, N. B.
We study the wetting behaviour of a symmetrical binary fluid below the demixing temperature at a non-selective attractive wall. Although it demixes in the bulk, a sufficiently thin liquid film remains mixed. On approaching liquid/vapour coexistence,
Externí odkaz:
http://arxiv.org/abs/cond-mat/0007298