Zobrazeno 1 - 10
of 30
pro vyhledávání: '"Pond, Mark"'
Autor:
Pond, Mark Jeffrey
Relationships between structure and dynamics have been well studied in molecular fluids, both in computer simulations and in experiments. However, the development of simple structure-dynamics relationships would also be useful in understanding colloi
Externí odkaz:
http://hdl.handle.net/2152/ETD-UT-2011-08-4069
This study uses a combination of stochastic optimization, statistical mechanical theory, and molecular simulation to test the extent to which the long-time dynamics of a single tracer particle can be enhanced by rationally modifying its interactions-
Externí odkaz:
http://arxiv.org/abs/1110.2510
Publikováno v:
Soft Matter, 2011, 7, 9859-9862
We use computer simulations to test a simple idea for mapping between long-time self diffusivities obtained from molecular and Brownian dynamics. The strategy we explore is motivated by the behavior of fluids comprising particles that interact via in
Externí odkaz:
http://arxiv.org/abs/1108.1038
Publikováno v:
Journal of Chemical Physics 135, 124513 (2011)
Partial pair-correlation functions of colloidal suspensions with continuous polydispersity can be challenging to characterize from optical microscopy or computer simulation data due to inadequate sampling. As a result, it is common to adopt an effect
Externí odkaz:
http://arxiv.org/abs/1107.4996
Publikováno v:
Journal of Chemical Physics 134 081101 (2011)
Computer simulations are used to test whether a recently introduced generalization of Rosenfeld's excess-entropy scaling method for estimating transport coefficients in systems obeying molecular dynamics can be extended to predict long-time diffusivi
Externí odkaz:
http://arxiv.org/abs/1101.1982
Autor:
Krekelberg, William P., Pond, Mark J., Goel, Gaurav, Shen, Vincent K., Errington, Jeffrey R., Truskett, Thomas M.
Publikováno v:
PHYSICAL REVIEW E 80, 061205 (2009)
Rosenfeld [Phys. Rev. A 15, 2545 (1977)] noticed that casting transport coefficients of simple monatomic, equilibrium fluids in specific dimensionless forms makes them approximately single-valued functions of excess entropy. This has predictive value
Externí odkaz:
http://arxiv.org/abs/0910.0280
Autor:
Pond, Mark J., Krekelberg, William P., Shen, Vincent K., Errington, Jeffrey R., Truskett, Thomas M.
Publikováno v:
Journal of Chemical Physics 131, 161101 (2009)
We report molecular dynamics simulation results for two-component fluid mixtures of Gaussian-core particles, focusing on how tracer diffusivities and static pair correlations depend on temperature, particle concentration, and composition. At low part
Externí odkaz:
http://arxiv.org/abs/0908.3014
Autor:
Goel, Gaurav, Krekelberg, William P., Pond, Mark J., Mittal, Jeetain, Shen, Vincent K., Errington, Jeffrey R., Truskett, Thomas M.
Publikováno v:
Journal of Statistical Mechanics: Theory and Experiment. P04006 (2009).
Although density functional theory provides reliable predictions for the static properties of simple fluids under confinement, a theory of comparative accuracy for the transport coefficients has yet to emerge. Nonetheless, there is evidence that know
Externí odkaz:
http://arxiv.org/abs/0901.2917
Publikováno v:
Journal of Urban Regeneration & Renewal. Spring2023, Vol. 16 Issue 3, p267-276. 10p.
Publikováno v:
Journal of Chemical Physics; 2/28/2011, Vol. 134 Issue 8, p081101, 4p, 2 Graphs