Boundary conditions and the residual entropy of ice systems

In this work we address the classical statistical mechanical problem of calculating the residual entropy of ice models. The numerical work found in the literature is usually based on extrapolating to infinite-size results obtained for finite-size systems with periodic boundary conditions. In this wo...

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Autores principales: Ferreyra, María Victoria, Grigera, Santiago Andrés
Formato: Articulo
Lenguaje:Inglés
Publicado: 2018
Materias:
Física
Frustrated systems
Ice models
Residual entropy
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/97938
https://ri.conicet.gov.ar/11336/87908
https://link.aps.org/doi/10.1103/PhysRevE.98.042146
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata
id I19-R120-10915-97938
record_format dspace
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Física
Frustrated systems
Ice models
Residual entropy
spellingShingle Física
Frustrated systems
Ice models
Residual entropy
Ferreyra, María Victoria
Grigera, Santiago Andrés
Boundary conditions and the residual entropy of ice systems
topic_facet Física
Frustrated systems
Ice models
Residual entropy
description In this work we address the classical statistical mechanical problem of calculating the residual entropy of ice models. The numerical work found in the literature is usually based on extrapolating to infinite-size results obtained for finite-size systems with periodic boundary conditions. In this work we investigate how boundary conditions affect the calculation of the residual entropy for square, cubic, and hexagonal lattices using periodic, antiperiodic, and open boundary conditions. We show that periodic boundary conditions lead to noticeable oscillations in the entropy as a function of lattice size, and we calculate in open finite systems the contribution to the entropy from the open boundary. For our calculations we introduce a variation on multicanonical simulation methods that directly calculate the number of states in the ground state without the need of a Hamiltonian.
format Articulo
Articulo
author Ferreyra, María Victoria
Grigera, Santiago Andrés
author_facet Ferreyra, María Victoria
Grigera, Santiago Andrés
author_sort Ferreyra, María Victoria
title Boundary conditions and the residual entropy of ice systems
title_short Boundary conditions and the residual entropy of ice systems
title_full Boundary conditions and the residual entropy of ice systems
title_fullStr Boundary conditions and the residual entropy of ice systems
title_full_unstemmed Boundary conditions and the residual entropy of ice systems
title_sort boundary conditions and the residual entropy of ice systems
publishDate 2018
url http://sedici.unlp.edu.ar/handle/10915/97938
https://ri.conicet.gov.ar/11336/87908
https://link.aps.org/doi/10.1103/PhysRevE.98.042146
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bdutipo_str Repositorios
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