Construction of the free energy landscape by the density functional theory
Takashi Yoshidome, Akira Yoshimori, Takashi Odagaki
Abstract
On the basis of the density functional theory, we give a clear definition of the free energy landscape. To show the usefulness of the definition, we construct the free energy landscape for rearrangement of atoms in an FCC crystal of hard spheres. In this description, the cooperatively rearranging region (CRR) is clealy related to the hard spheres involved in the saddle between two adjacent basins. A new concept of the simultaneously rearranging region (SRR) emerges naturally as spheres defined by the difference between two adjacent basins. We show that the SRR and the CRR can be determined explicitly from the free energylandscape.
Create a lesson
Related papers
Dynamically Reentrant Skyrmion Phase in Oscillating Magnetic Fields
Z. Demir Vatansever, E. Vatansever, A. Vasilopoulos et al.
Mutual linearity in semi-Markov networks
Julian B. Voits, Ulrich S. Schwarz
Steady states in asymmetric exclusion processes with reactions: Fluctuations and non-mean field behaviour
Rohn Chatterjee, Atri Goswami, Sudip Mukherjee
Marginal Operator Deformations and Pseudocriticality in Baxter--Wu Models
Hyun-Yong Lee, Naoki Kawashima, Nikolaos G. Fytas et al.
Kardar--Parisi--Zhang density hydrodynamics in a coherent XXZ--ASEP Lindbladian
Yansheng Liu, Daoguang Li, Kaixiang Lu et al.
Brownian gyrator model with stochastic resetting
Satya N. Majumdar, Gregory Schehr, Pascal Viot et al.