MersV1, Main, Exploration, bibRecord, 002253

First-order phase transitions in repulsive rigid k-mers on two-dimensional lattices.

Identifieur interne : 002253 ( Main/Exploration ); précédent : 002252; suivant : 002254

First-order phase transitions in repulsive rigid k-mers on two-dimensional lattices.

Auteurs : P M Pasinetti [Argentine] ; F. Romá ; A J Ramirez-Pastor

Source :

The Journal of chemical physics [ 1089-7690 ] ; 2012.

RBID : pubmed:22360175

Descripteurs français

KwdFr :
- Algorithmes, Modèles chimiques, Méthode de Monte-Carlo, Simulation numérique, Thermodynamique, Transition de phase.
MESH :
- Algorithmes, Modèles chimiques, Méthode de Monte-Carlo, Simulation numérique, Thermodynamique, Transition de phase.

English descriptors

KwdEn :
- Algorithms, Computer Simulation, Models, Chemical, Monte Carlo Method, Phase Transition, Thermodynamics.
MESH :
- Algorithms, Computer Simulation, Models, Chemical, Monte Carlo Method, Phase Transition, Thermodynamics.

Abstract

In a previous paper [F. Romá, A. J. Ramirez-Pastor, and J. L. Riccardo, Phys. Rev. B 72, 035444 (2005)], the critical behavior of repulsive rigid rods of length k (k-mers) on a square lattice at half coverage has been studied by using Monte Carlo (MC) simulations. The obtained results indicated that (1) the phase transition occurring in the system is a second-order phase transition for all adsorbate sizes k; and (2) the universality class of the transition changes from 2D Ising-type for monomers (k = 1) to an unknown universality class for k ≥ 2. In the present work, we revisit our previous results together with further numerical evidences, resulting from new extensive MC simulations based on an efficient exchange algorithm and using high-performance computational capabilities. In contrast to our previous conclusions (1) and (2), the new numerical calculations clearly support the occurrence of a first-order phase transition for k ≥ 2. In addition, a similar scenario was found for k-mers adsorbed on the triangular lattice at coverage k/(2k+1).

DOI: 10.1063/1.3678312
PubMed: 22360175

Affiliations:

Argentine

Le document en format XML

<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">First-order phase transitions in repulsive rigid k-mers on two-dimensional lattices.</title>
<author><name sortKey="Pasinetti, P M" sort="Pasinetti, P M" uniqKey="Pasinetti P" first="P M" last="Pasinetti">P M Pasinetti</name>
<affiliation wicri:level="1"><nlm:affiliation>Departamento de Física, Instituto de Física Aplicada (INFAP), Universidad Nacional de San Luis,CONICET, Chacabuco 917, D5700BWS, San Luis, Argentina. pmp@unsl.edu.ar</nlm:affiliation>
<country xml:lang="fr">Argentine</country>
<wicri:regionArea>Departamento de Física, Instituto de Física Aplicada (INFAP), Universidad Nacional de San Luis,CONICET, Chacabuco 917, D5700BWS, San Luis</wicri:regionArea>
<wicri:noRegion>San Luis</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Roma, F" sort="Roma, F" uniqKey="Roma F" first="F" last="Romá">F. Romá</name>
</author>
<author><name sortKey="Ramirez Pastor, A J" sort="Ramirez Pastor, A J" uniqKey="Ramirez Pastor A" first="A J" last="Ramirez-Pastor">A J Ramirez-Pastor</name>
</author>
</titleStmt>
<publicationStmt><idno type="wicri:source">PubMed</idno>
<date when="2012">2012</date>
<idno type="RBID">pubmed:22360175</idno>
<idno type="pmid">22360175</idno>
<idno type="doi">10.1063/1.3678312</idno>
<idno type="wicri:Area/PubMed/Corpus">001E03</idno>
<idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Corpus" wicri:corpus="PubMed">001E03</idno>
<idno type="wicri:Area/PubMed/Curation">001E03</idno>
<idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Curation">001E03</idno>
<idno type="wicri:Area/PubMed/Checkpoint">001C80</idno>
<idno type="wicri:explorRef" wicri:stream="Checkpoint" wicri:step="PubMed">001C80</idno>
<idno type="wicri:Area/Ncbi/Merge">000933</idno>
<idno type="wicri:Area/Ncbi/Curation">000933</idno>
<idno type="wicri:Area/Ncbi/Checkpoint">000933</idno>
<idno type="wicri:Area/Main/Merge">002278</idno>
<idno type="wicri:Area/Main/Curation">002253</idno>
<idno type="wicri:Area/Main/Exploration">002253</idno>
</publicationStmt>
<sourceDesc><biblStruct><analytic><title xml:lang="en">First-order phase transitions in repulsive rigid k-mers on two-dimensional lattices.</title>
<author><name sortKey="Pasinetti, P M" sort="Pasinetti, P M" uniqKey="Pasinetti P" first="P M" last="Pasinetti">P M Pasinetti</name>
<affiliation wicri:level="1"><nlm:affiliation>Departamento de Física, Instituto de Física Aplicada (INFAP), Universidad Nacional de San Luis,CONICET, Chacabuco 917, D5700BWS, San Luis, Argentina. pmp@unsl.edu.ar</nlm:affiliation>
<country xml:lang="fr">Argentine</country>
<wicri:regionArea>Departamento de Física, Instituto de Física Aplicada (INFAP), Universidad Nacional de San Luis,CONICET, Chacabuco 917, D5700BWS, San Luis</wicri:regionArea>
<wicri:noRegion>San Luis</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Roma, F" sort="Roma, F" uniqKey="Roma F" first="F" last="Romá">F. Romá</name>
</author>
<author><name sortKey="Ramirez Pastor, A J" sort="Ramirez Pastor, A J" uniqKey="Ramirez Pastor A" first="A J" last="Ramirez-Pastor">A J Ramirez-Pastor</name>
</author>
</analytic>
<series><title level="j">The Journal of chemical physics</title>
<idno type="eISSN">1089-7690</idno>
<imprint><date when="2012" type="published">2012</date>
</imprint>
</series>
</biblStruct>
</sourceDesc>
</fileDesc>
<profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Algorithms</term>
<term>Computer Simulation</term>
<term>Models, Chemical</term>
<term>Monte Carlo Method</term>
<term>Phase Transition</term>
<term>Thermodynamics</term>
</keywords>
<keywords scheme="KwdFr" xml:lang="fr"><term>Algorithmes</term>
<term>Modèles chimiques</term>
<term>Méthode de Monte-Carlo</term>
<term>Simulation numérique</term>
<term>Thermodynamique</term>
<term>Transition de phase</term>
</keywords>
<keywords scheme="MESH" xml:lang="en"><term>Algorithms</term>
<term>Computer Simulation</term>
<term>Models, Chemical</term>
<term>Monte Carlo Method</term>
<term>Phase Transition</term>
<term>Thermodynamics</term>
</keywords>
<keywords scheme="MESH" xml:lang="fr"><term>Algorithmes</term>
<term>Modèles chimiques</term>
<term>Méthode de Monte-Carlo</term>
<term>Simulation numérique</term>
<term>Thermodynamique</term>
<term>Transition de phase</term>
</keywords>
</textClass>
</profileDesc>
</teiHeader>
<front><div type="abstract" xml:lang="en">In a previous paper [F. Romá, A. J. Ramirez-Pastor, and J. L. Riccardo, Phys. Rev. B 72, 035444 (2005)], the critical behavior of repulsive rigid rods of length k (k-mers) on a square lattice at half coverage has been studied by using Monte Carlo (MC) simulations. The obtained results indicated that (1) the phase transition occurring in the system is a second-order phase transition for all adsorbate sizes k; and (2) the universality class of the transition changes from 2D Ising-type for monomers (k = 1) to an unknown universality class for k ≥ 2. In the present work, we revisit our previous results together with further numerical evidences, resulting from new extensive MC simulations based on an efficient exchange algorithm and using high-performance computational capabilities. In contrast to our previous conclusions (1) and (2), the new numerical calculations clearly support the occurrence of a first-order phase transition for k ≥ 2. In addition, a similar scenario was found for k-mers adsorbed on the triangular lattice at coverage k/(2k+1).</div>
</front>
</TEI>
<affiliations><list><country><li>Argentine</li>
</country>
</list>
<tree><noCountry><name sortKey="Ramirez Pastor, A J" sort="Ramirez Pastor, A J" uniqKey="Ramirez Pastor A" first="A J" last="Ramirez-Pastor">A J Ramirez-Pastor</name>
<name sortKey="Roma, F" sort="Roma, F" uniqKey="Roma F" first="F" last="Romá">F. Romá</name>
</noCountry>
<country name="Argentine"><noRegion><name sortKey="Pasinetti, P M" sort="Pasinetti, P M" uniqKey="Pasinetti P" first="P M" last="Pasinetti">P M Pasinetti</name>
</noRegion>
</country>
</tree>
</affiliations>
</record>

Pour manipuler ce document sous Unix (Dilib)

EXPLOR_STEP=$WICRI_ROOT/Sante/explor/MersV1/Data/Main/Exploration

HfdSelect -h $EXPLOR_STEP/biblio.hfd -nk 002253 | SxmlIndent | more

HfdSelect -h $EXPLOR_AREA/Data/Main/Exploration/biblio.hfd -nk 002253 | SxmlIndent | more

Pour mettre un lien sur cette page dans le réseau Wicri

{{Explor lien
   |wiki=    Sante
   |area=    MersV1
   |flux=    Main
   |étape=   Exploration
   |type=    RBID
   |clé=     pubmed:22360175
   |texte=   First-order phase transitions in repulsive rigid k-mers on two-dimensional lattices.
}}

Pour générer des pages wiki

HfdIndexSelect -h $EXPLOR_AREA/Data/Main/Exploration/RBID.i   -Sk "pubmed:22360175" \
       | HfdSelect -Kh $EXPLOR_AREA/Data/Main/Exploration/biblio.hfd   \
       | NlmPubMed2Wicri -a MersV1

This area was generated with Dilib version V0.6.33.
Data generation: Mon Apr 20 23:26:43 2020. Site generation: Sat Mar 27 09:06:09 2021

Serveur d'exploration MERS

First-order phase transitions in repulsive rigid k-mers on two-dimensional lattices.

First-order phase transitions in repulsive rigid k-mers on two-dimensional lattices.

Source :

Descripteurs français

English descriptors

Abstract

Links toward previous steps (curation, corpus...)

Le document en format XML

Pour manipuler ce document sous Unix (Dilib)

Pour mettre un lien sur cette page dans le réseau Wicri

Pour générer des pages wiki

	Serveur d'exploration MERS
	Attention, ce site est en cours de développement ! Attention, site généré par des moyens informatiques à partir de corpus bruts. Les informations ne sont donc pas validées.