DOI: 10.1063/1.453924. Phase diagram and dynamics of Yukawa systems

Phase diagram and dynamics of Yukawa systems

10.1063/1.453924

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The phase diagram and dynamical properties of systems of particles interacting through a repulsive screened Coulomb (Yukawa) potential have been calculated using molecular and lattice dynamics techniques. The phase diagram contains both a melting transition and a transition from fcc to bcc crystalline phases. These phase transitions have been studied as a function of potential shape (screening length) and compared to phenomenological criteria for transition temperatures such as those of Lindemann and of Hansen and Verlet. The transition from fcc to bcc with increasing temperature is shown to result from a higher entropy in the bcc phase because of its softer shear modes. Even when the stable solid phase below the melting temperature is fcc, bcc-like local order is found in the liquid phase. This may substantially slow crystallization. The calculated phase diagram and shear modulus are in good agreement with experiments on colloidal suspensions of polystyrene spheres. The single particle dynamics of Yukawa systems show several unusual features. There is a pronounced subdiffusive regime in liquids near and below the melting temperature. This regime reflects the existence of two time scales: a typical phonon period, and the time for a particle to feel a new environment. The second time scale becomes longer as the temperature is lowered or the range of interaction (screening length) increases.

Bibliography

Robbins, Mark. O., Kremer, K., & Grest, G. S. (1988). Phase diagram and dynamics of Yukawa systems. The Journal of Chemical Physics, 88(5), 3286â3312.

Authors 3

Mark. O. Robbins (first)
Kurt Kremer (additional)
Gary S. Grest (additional)

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Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 9:10 a.m.)
Deposited	1 year, 6 months ago (Feb. 10, 2024, 2:27 a.m.)
Indexed	1 day, 12 hours ago (Aug. 28, 2025, 8:19 a.m.)
Issued	37 years, 5 months ago (March 1, 1988)
Published	37 years, 5 months ago (March 1, 1988)
Published Print	37 years, 5 months ago (March 1, 1988)

Funders 0

None

BibTeX

@article{Robbins_1988, title={Phase diagram and dynamics of Yukawa systems}, volume={88}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.453924}, DOI={10.1063/1.453924}, number={5}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Robbins, Mark. O. and Kremer, Kurt and Grest, Gary S.}, year={1988}, month=mar, pages={3286–3312} }

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