Liquid-solid coexistence via the metadynamics approach.
The metadynamics method, recently proposed by Laio and Parrinello as a general tool to map multidimensional free-energy landscapes [A. Laio and M. Parrinello, Proc. Natl. Acad. Sci. U.S.A. 99, 12562 (2002)], has been exploited with the aim of illustrating the properties of generalized thermodynamic potentials across a discontinuous phase transition. Virtues and limitations of the method are discussed in the exemplifying case of the freezing of a Lennard-Jones fluid in two dimensions.
Prestipino
Santi
S
Dipartimento di Fisica, Università degli Studi di Messina, Contrada Papardo, Messina, Italy. santi.prestipino@unime.it
Giaquinta
Paolo V
PV