Work and Thermal Fluctuations in Crystal Indentation under Deterministic and Stochastic Thermostats: The Role of System-Bath Coupling.

ABSTRACT: The Jarzynski equality (JE) was originally derived under the deterministic Hamiltonian formalism, and later, it was demonstrated that stochastic Langevin dynamics also lead to the JE. However, the JE has been verified mainly in small, low-dimensional systems described by Langevin dynamics. Although the two theoretical derivations apparently lead to the same expression, we illustrate that they describe fundamentally different experimental conditions. While the Hamiltonian framework assumes that the thermal bath producing the initial canonical equilibrium switches off for the duration of the work process, the Langevin bath effectively acts on the system. Moreover, the former considers an environment with which the system may interact, whereas the latter does not. In this study, we investigat

SUBMITTER: Varillas J 

PROVIDER: S-EPMC9497718 | biostudies-literature | 2022 Sep

REPOSITORIES: biostudies-literature