Irreversible bilayer adsorption of straight semirigid rods on two-dimensional square lattices: Jamming and percolation properties

Autores
De La Cruz Félix, Nelphy; Centres, Paulo Marcelo; Ramirez Pastor, Antonio Jose
Año de publicación
2020
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Numerical simulations and finite-size scaling analysis have been performed to study the jamming and percolation behavior of straight semirigid rods adsorbed on two-dimensional square lattices. The depositing objects can be adsorbed on the surface forming two layers. The filling of the lattice is carried out following a generalized random sequential adsorption (RSA) mechanism. In each elementary step, (i) a set of k consecutive nearest-neighbor sites (aligned along one of two lattice axes) is randomly chosen and (ii) if each selected site is either empty or occupied by a k -mer unit in the first layer, then a new k -mer is then deposited onto the lattice. Otherwise, the attempt is rejected. The process starts with an initially empty lattice and continues until the jamming state is reached and no more objects can be deposited due to the absence of empty site clusters of appropriate size and shape. A wide range of values of k ( 2 ≤ k ≤ 64 ) is investigated. The study of the kinetic properties of the system shows that (1) the jamming coverage θ j , k is a decreasing function with increasing k , with θ j , k → ∞ = 0.7299 ( 21 ) the limit value for infinitely long k -mers and (2) the jamming exponent ν j remains close to 1, regardless of the size k considered. These findings are discussed in terms of the lattice dimensionality and number of sites available for adsorption. The dependence of the percolation threshold θ c , k as a function of k is also determined, with θ c , k = A + B exp ( − k / C ) , where A = θ c , k → ∞ = 0.0457 ( 68 ) is the value of the percolation threshold by infinitely long k -mers, B = 0.276 ( 25 ) , and C = 14 ( 2 ) . This monotonic decreasing behavior is completely different from that observed for the standard problem of straight rods on square lattices, where the percolation threshold shows a nonmonotonic k -mer size dependence. The differences between the results obtained from bilayer and monolayer phases are explained on the basis of the transversal overlaps between rods occurring in the bilayer problem. This effect (which we call a “cross-linking effect”), its consequences on the filling kinetics, and its implications in the field of conductivity of composites filled with elongated particles (or fibers) are discussed in detail. Finally, the precise determination of the critical exponents ν , β , and γ indicates that, although the increasing in the width of the deposited layer drastically affects the behavior of the percolation threshold with k and other critical properties (such as the crossing points of the percolation probability functions), it does not alter the nature of the percolation transition occurring in the system. Accordingly, the bilayer model belongs to the same universality class as two-dimensional standard percolation model.
Fil: De La Cruz Félix, Nelphy. Universidad Nacional de San Luis; Argentina. Universidad Autonoma de Santo Domingo.; República Dominicana
Fil: Centres, Paulo Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; Argentina
Fil: Ramirez Pastor, Antonio Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; Argentina
Materia
SEMIRIGID
JAMMING
PERCOLATION
ADSORPTION
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/136535

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spelling Irreversible bilayer adsorption of straight semirigid rods on two-dimensional square lattices: Jamming and percolation propertiesDe La Cruz Félix, NelphyCentres, Paulo MarceloRamirez Pastor, Antonio JoseSEMIRIGIDJAMMINGPERCOLATIONADSORPTIONhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1Numerical simulations and finite-size scaling analysis have been performed to study the jamming and percolation behavior of straight semirigid rods adsorbed on two-dimensional square lattices. The depositing objects can be adsorbed on the surface forming two layers. The filling of the lattice is carried out following a generalized random sequential adsorption (RSA) mechanism. In each elementary step, (i) a set of k consecutive nearest-neighbor sites (aligned along one of two lattice axes) is randomly chosen and (ii) if each selected site is either empty or occupied by a k -mer unit in the first layer, then a new k -mer is then deposited onto the lattice. Otherwise, the attempt is rejected. The process starts with an initially empty lattice and continues until the jamming state is reached and no more objects can be deposited due to the absence of empty site clusters of appropriate size and shape. A wide range of values of k ( 2 ≤ k ≤ 64 ) is investigated. The study of the kinetic properties of the system shows that (1) the jamming coverage θ j , k is a decreasing function with increasing k , with θ j , k → ∞ = 0.7299 ( 21 ) the limit value for infinitely long k -mers and (2) the jamming exponent ν j remains close to 1, regardless of the size k considered. These findings are discussed in terms of the lattice dimensionality and number of sites available for adsorption. The dependence of the percolation threshold θ c , k as a function of k is also determined, with θ c , k = A + B exp ( − k / C ) , where A = θ c , k → ∞ = 0.0457 ( 68 ) is the value of the percolation threshold by infinitely long k -mers, B = 0.276 ( 25 ) , and C = 14 ( 2 ) . This monotonic decreasing behavior is completely different from that observed for the standard problem of straight rods on square lattices, where the percolation threshold shows a nonmonotonic k -mer size dependence. The differences between the results obtained from bilayer and monolayer phases are explained on the basis of the transversal overlaps between rods occurring in the bilayer problem. This effect (which we call a “cross-linking effect”), its consequences on the filling kinetics, and its implications in the field of conductivity of composites filled with elongated particles (or fibers) are discussed in detail. Finally, the precise determination of the critical exponents ν , β , and γ indicates that, although the increasing in the width of the deposited layer drastically affects the behavior of the percolation threshold with k and other critical properties (such as the crossing points of the percolation probability functions), it does not alter the nature of the percolation transition occurring in the system. Accordingly, the bilayer model belongs to the same universality class as two-dimensional standard percolation model.Fil: De La Cruz Félix, Nelphy. Universidad Nacional de San Luis; Argentina. Universidad Autonoma de Santo Domingo.; República DominicanaFil: Centres, Paulo Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; ArgentinaFil: Ramirez Pastor, Antonio Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; ArgentinaAmerican Physical Society2020-07-30info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/136535De La Cruz Félix, Nelphy; Centres, Paulo Marcelo; Ramirez Pastor, Antonio Jose; Irreversible bilayer adsorption of straight semirigid rods on two-dimensional square lattices: Jamming and percolation properties; American Physical Society; Physical Review E: Statistical, Nonlinear and Soft Matter Physics; 102; 1; 30-7-2020; 1-13; 0121532470-00452470-0053CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevE.102.012153info:eu-repo/semantics/altIdentifier/url/https://journals.aps.org/pre/abstract/10.1103/PhysRevE.102.012153info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:55:36Zoai:ri.conicet.gov.ar:11336/136535instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-03 09:55:36.428CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Irreversible bilayer adsorption of straight semirigid rods on two-dimensional square lattices: Jamming and percolation properties
title Irreversible bilayer adsorption of straight semirigid rods on two-dimensional square lattices: Jamming and percolation properties
spellingShingle Irreversible bilayer adsorption of straight semirigid rods on two-dimensional square lattices: Jamming and percolation properties
De La Cruz Félix, Nelphy
SEMIRIGID
JAMMING
PERCOLATION
ADSORPTION
title_short Irreversible bilayer adsorption of straight semirigid rods on two-dimensional square lattices: Jamming and percolation properties
title_full Irreversible bilayer adsorption of straight semirigid rods on two-dimensional square lattices: Jamming and percolation properties
title_fullStr Irreversible bilayer adsorption of straight semirigid rods on two-dimensional square lattices: Jamming and percolation properties
title_full_unstemmed Irreversible bilayer adsorption of straight semirigid rods on two-dimensional square lattices: Jamming and percolation properties
title_sort Irreversible bilayer adsorption of straight semirigid rods on two-dimensional square lattices: Jamming and percolation properties
dc.creator.none.fl_str_mv De La Cruz Félix, Nelphy
Centres, Paulo Marcelo
Ramirez Pastor, Antonio Jose
author De La Cruz Félix, Nelphy
author_facet De La Cruz Félix, Nelphy
Centres, Paulo Marcelo
Ramirez Pastor, Antonio Jose
author_role author
author2 Centres, Paulo Marcelo
Ramirez Pastor, Antonio Jose
author2_role author
author
dc.subject.none.fl_str_mv SEMIRIGID
JAMMING
PERCOLATION
ADSORPTION
topic SEMIRIGID
JAMMING
PERCOLATION
ADSORPTION
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Numerical simulations and finite-size scaling analysis have been performed to study the jamming and percolation behavior of straight semirigid rods adsorbed on two-dimensional square lattices. The depositing objects can be adsorbed on the surface forming two layers. The filling of the lattice is carried out following a generalized random sequential adsorption (RSA) mechanism. In each elementary step, (i) a set of k consecutive nearest-neighbor sites (aligned along one of two lattice axes) is randomly chosen and (ii) if each selected site is either empty or occupied by a k -mer unit in the first layer, then a new k -mer is then deposited onto the lattice. Otherwise, the attempt is rejected. The process starts with an initially empty lattice and continues until the jamming state is reached and no more objects can be deposited due to the absence of empty site clusters of appropriate size and shape. A wide range of values of k ( 2 ≤ k ≤ 64 ) is investigated. The study of the kinetic properties of the system shows that (1) the jamming coverage θ j , k is a decreasing function with increasing k , with θ j , k → ∞ = 0.7299 ( 21 ) the limit value for infinitely long k -mers and (2) the jamming exponent ν j remains close to 1, regardless of the size k considered. These findings are discussed in terms of the lattice dimensionality and number of sites available for adsorption. The dependence of the percolation threshold θ c , k as a function of k is also determined, with θ c , k = A + B exp ( − k / C ) , where A = θ c , k → ∞ = 0.0457 ( 68 ) is the value of the percolation threshold by infinitely long k -mers, B = 0.276 ( 25 ) , and C = 14 ( 2 ) . This monotonic decreasing behavior is completely different from that observed for the standard problem of straight rods on square lattices, where the percolation threshold shows a nonmonotonic k -mer size dependence. The differences between the results obtained from bilayer and monolayer phases are explained on the basis of the transversal overlaps between rods occurring in the bilayer problem. This effect (which we call a “cross-linking effect”), its consequences on the filling kinetics, and its implications in the field of conductivity of composites filled with elongated particles (or fibers) are discussed in detail. Finally, the precise determination of the critical exponents ν , β , and γ indicates that, although the increasing in the width of the deposited layer drastically affects the behavior of the percolation threshold with k and other critical properties (such as the crossing points of the percolation probability functions), it does not alter the nature of the percolation transition occurring in the system. Accordingly, the bilayer model belongs to the same universality class as two-dimensional standard percolation model.
Fil: De La Cruz Félix, Nelphy. Universidad Nacional de San Luis; Argentina. Universidad Autonoma de Santo Domingo.; República Dominicana
Fil: Centres, Paulo Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; Argentina
Fil: Ramirez Pastor, Antonio Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; Argentina
description Numerical simulations and finite-size scaling analysis have been performed to study the jamming and percolation behavior of straight semirigid rods adsorbed on two-dimensional square lattices. The depositing objects can be adsorbed on the surface forming two layers. The filling of the lattice is carried out following a generalized random sequential adsorption (RSA) mechanism. In each elementary step, (i) a set of k consecutive nearest-neighbor sites (aligned along one of two lattice axes) is randomly chosen and (ii) if each selected site is either empty or occupied by a k -mer unit in the first layer, then a new k -mer is then deposited onto the lattice. Otherwise, the attempt is rejected. The process starts with an initially empty lattice and continues until the jamming state is reached and no more objects can be deposited due to the absence of empty site clusters of appropriate size and shape. A wide range of values of k ( 2 ≤ k ≤ 64 ) is investigated. The study of the kinetic properties of the system shows that (1) the jamming coverage θ j , k is a decreasing function with increasing k , with θ j , k → ∞ = 0.7299 ( 21 ) the limit value for infinitely long k -mers and (2) the jamming exponent ν j remains close to 1, regardless of the size k considered. These findings are discussed in terms of the lattice dimensionality and number of sites available for adsorption. The dependence of the percolation threshold θ c , k as a function of k is also determined, with θ c , k = A + B exp ( − k / C ) , where A = θ c , k → ∞ = 0.0457 ( 68 ) is the value of the percolation threshold by infinitely long k -mers, B = 0.276 ( 25 ) , and C = 14 ( 2 ) . This monotonic decreasing behavior is completely different from that observed for the standard problem of straight rods on square lattices, where the percolation threshold shows a nonmonotonic k -mer size dependence. The differences between the results obtained from bilayer and monolayer phases are explained on the basis of the transversal overlaps between rods occurring in the bilayer problem. This effect (which we call a “cross-linking effect”), its consequences on the filling kinetics, and its implications in the field of conductivity of composites filled with elongated particles (or fibers) are discussed in detail. Finally, the precise determination of the critical exponents ν , β , and γ indicates that, although the increasing in the width of the deposited layer drastically affects the behavior of the percolation threshold with k and other critical properties (such as the crossing points of the percolation probability functions), it does not alter the nature of the percolation transition occurring in the system. Accordingly, the bilayer model belongs to the same universality class as two-dimensional standard percolation model.
publishDate 2020
dc.date.none.fl_str_mv 2020-07-30
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/136535
De La Cruz Félix, Nelphy; Centres, Paulo Marcelo; Ramirez Pastor, Antonio Jose; Irreversible bilayer adsorption of straight semirigid rods on two-dimensional square lattices: Jamming and percolation properties; American Physical Society; Physical Review E: Statistical, Nonlinear and Soft Matter Physics; 102; 1; 30-7-2020; 1-13; 012153
2470-0045
2470-0053
CONICET Digital
CONICET
url http://hdl.handle.net/11336/136535
identifier_str_mv De La Cruz Félix, Nelphy; Centres, Paulo Marcelo; Ramirez Pastor, Antonio Jose; Irreversible bilayer adsorption of straight semirigid rods on two-dimensional square lattices: Jamming and percolation properties; American Physical Society; Physical Review E: Statistical, Nonlinear and Soft Matter Physics; 102; 1; 30-7-2020; 1-13; 012153
2470-0045
2470-0053
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevE.102.012153
info:eu-repo/semantics/altIdentifier/url/https://journals.aps.org/pre/abstract/10.1103/PhysRevE.102.012153
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv American Physical Society
publisher.none.fl_str_mv American Physical Society
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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