Elastic moduli of body-centered cubic lattice near rigidity percolation threshold: Finite-size effects and evidence for first-order phase transition.


Journal

Physical review. E
ISSN: 2470-0053
Titre abrégé: Phys Rev E
Pays: United States
ID NLM: 101676019

Informations de publication

Date de publication:
Apr 2021
Historique:
received: 10 11 2020
accepted: 02 04 2021
entrez: 19 5 2021
pubmed: 20 5 2021
medline: 20 5 2021
Statut: ppublish

Résumé

Extensive numerical simulations of rigidity percolation with only central forces in large three-dimensional lattices have indicated that many of their topological properties undergo a first-order phase transition at the rigidity percolation threshold p_{ce}. In contrast with such properties, past numerical calculations of the elastic moduli of the same lattices had provided evidence for a second-order phase transition. In this paper we present the results of extensive simulation of rigidity percolation in large body-centered cubic (bcc) lattices, and show that as the linear size L of the lattice increases, the elastic moduli close to p_{ce} decrease in a stepwise, discontinuous manner, a feature that is absent in lattices with L<30. The number and size of such steps increase with L. As p_{ce} is approached, long-range, nondecaying orientational correlations are built up, giving rise to compact, nonfractal clusters. As a result, we find that the backbone of the lattice at p_{ce} is compact with a fractal dimension D_{bb}≈3. The absence of fractal, scale-invariant clusters, the hallmark of second-order phase transitions, together with the stairwise behavior of the elastic moduli, provide strong evidence that, at least in bcc lattices, many of the topological properties of rigidity percolation as well as its elastic moduli may undergo a first-order phase transition at p_{ce}. In relatively small lattices, however, the boundary effects interfere with the nonlocal nature of the rigidity percolation. As a result, only when such effects diminish in large lattices does the true nature of the phase transition emerge.

Identifiants

pubmed: 34005887
doi: 10.1103/PhysRevE.103.042314
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

042314

Auteurs

Sepehr Arbabi (S)

Department of Chemical Engineering, The University of Texas Permian Basin, Odessa, Texas 79762, USA.

Muhammad Sahimi (M)

Mork Family Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, California 90089-1211, USA.

Classifications MeSH