We present results on the percolation loci for chemical clusters and physical clusters of long lifespan. Chemical clusters are defined as sets of particles connected through particle-particle bonds that last for a given time . Physical clusters are sets of particles that remain close together at every instant for a given period of time . By using molecular dynamics simulations of a Lennard-Jones system we obtain the percolation loci at different values of as the lines in the temperature-density plane at which the system presents a spanning cluster in 50% of the configurations. We find that the percolation loci for chemical clusters shifts rapidly toward high densities as is increased. For moderate values of this line converges to the low-density branch of the liquid-solid coexistence curve. This implies that no stable chemical clusters can be found in the fluid phase. In contrast, the percolation loci for physical clusters tend to a limiting line, as tends to infinity, which is far from the liquid-solid transition line.
Skip Nav Destination
Article navigation
14 August 2008
Research Article|
August 12 2008
Continuum percolation of long lifespan clusters in a simple fluid
Luis A. Pugnaloni;
Luis A. Pugnaloni
a)
1Instituto de Física de Líquidos y Sistemas Biológicos,
UNLP-CONICET
, c.c. 565, 1900 La Plata, Argentina
Search for other works by this author on:
Carlos M. Carlevaro;
Carlos M. Carlevaro
1Instituto de Física de Líquidos y Sistemas Biológicos,
UNLP-CONICET
, c.c. 565, 1900 La Plata, Argentina
2FRBA, UDB Física,
Universidad Tecnológica Nacional
, Mozart 2300, C1407IVT Buenos Aires, Argentina
Search for other works by this author on:
Marcos G. Valluzzi;
Marcos G. Valluzzi
b)
1Instituto de Física de Líquidos y Sistemas Biológicos,
UNLP-CONICET
, c.c. 565, 1900 La Plata, Argentina
Search for other works by this author on:
Fernando Vericat
Fernando Vericat
1Instituto de Física de Líquidos y Sistemas Biológicos,
UNLP-CONICET
, c.c. 565, 1900 La Plata, Argentina
3Grupo de Aplicaciones Matemáticas y Estadísticas de la Facultad de Ingeniería, Área Ciencias Básicas, Facultad de Ingeniería,
Universidad Nacional de La Plata
, 1900 La Plata, Argentina
Search for other works by this author on:
a)
Electronic mail: [email protected].
b)
Present address: Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas, UNLP-CONICET, 1900 La Plata, Argentina.
J. Chem. Phys. 129, 064510 (2008)
Article history
Received:
January 31 2008
Accepted:
July 10 2008
Citation
Luis A. Pugnaloni, Carlos M. Carlevaro, Marcos G. Valluzzi, Fernando Vericat; Continuum percolation of long lifespan clusters in a simple fluid. J. Chem. Phys. 14 August 2008; 129 (6): 064510. https://doi.org/10.1063/1.2965879
Download citation file:
Pay-Per-View Access
$40.00
Sign In
You could not be signed in. Please check your credentials and make sure you have an active account and try again.
Citing articles via
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.
CREST—A program for the exploration of low-energy molecular chemical space
Philipp Pracht, Stefan Grimme, et al.
Related Content
Range effect on percolation threshold and structural properties for short-range attractive spheres
J. Chem. Phys. (January 2015)
Probabilistic characterization of the Widom delta in supercritical region
J. Chem. Phys. (July 2018)
Percolation in supercritical water: Do the Widom and percolation lines coincide?
J. Chem. Phys. (August 2018)
Cluster pair correlation function of simple fluids: Energetic connectivity criteria
J. Chem. Phys. (November 2006)
Widom line, dynamical crossover, and percolation transition of supercritical oxygen via molecular dynamics simulations
J. Chem. Phys. (January 2018)