First-order phase transitions in repulsive rigid k-mers on two-dimensional lattices.
Identifieur interne : 001E03 ( PubMed/Corpus ); précédent : 001E02; suivant : 001E04First-order phase transitions in repulsive rigid k-mers on two-dimensional lattices.
Auteurs : P M Pasinetti ; F. Romá ; A J Ramirez-PastorSource :
- The Journal of chemical physics [ 1089-7690 ] ; 2012.
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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
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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></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><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></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="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></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><pubmed><MedlineCitation Status="MEDLINE" Owner="NLM"><PMID Version="1">22360175</PMID><DateCompleted><Year>2012</Year><Month>06</Month><Day>18</Day></DateCompleted><DateRevised><Year>2012</Year><Month>02</Month><Day>24</Day></DateRevised><Article PubModel="Print"><Journal><ISSN IssnType="Electronic">1089-7690</ISSN><JournalIssue CitedMedium="Internet"><Volume>136</Volume><Issue>6</Issue><PubDate><Year>2012</Year><Month>Feb</Month><Day>14</Day></PubDate></JournalIssue><Title>The Journal of chemical physics</Title><ISOAbbreviation>J Chem Phys</ISOAbbreviation></Journal><ArticleTitle>First-order phase transitions in repulsive rigid k-mers on two-dimensional lattices.</ArticleTitle><Pagination><MedlinePgn>064113</MedlinePgn></Pagination><ELocationID EIdType="doi" ValidYN="Y">10.1063/1.3678312</ELocationID><Abstract><AbstractText>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).</AbstractText><CopyrightInformation>© 2012 American Institute of Physics</CopyrightInformation></Abstract><AuthorList CompleteYN="Y"><Author ValidYN="Y"><LastName>Pasinetti</LastName><ForeName>P M</ForeName><Initials>PM</Initials><AffiliationInfo><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</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Romá</LastName><ForeName>F</ForeName><Initials>F</Initials></Author><Author ValidYN="Y"><LastName>Ramirez-Pastor</LastName><ForeName>A J</ForeName><Initials>AJ</Initials></Author></AuthorList><Language>eng</Language><PublicationTypeList><PublicationType UI="D016428">Journal Article</PublicationType><PublicationType UI="D013485">Research Support, Non-U.S. Gov't</PublicationType></PublicationTypeList></Article><MedlineJournalInfo><Country>United States</Country><MedlineTA>J Chem Phys</MedlineTA><NlmUniqueID>0375360</NlmUniqueID><ISSNLinking>0021-9606</ISSNLinking></MedlineJournalInfo><CitationSubset>IM</CitationSubset><MeshHeadingList><MeshHeading><DescriptorName UI="D000465" MajorTopicYN="N">Algorithms</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D003198" MajorTopicYN="N">Computer Simulation</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D008956" MajorTopicYN="N">Models, Chemical</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D009010" MajorTopicYN="N">Monte Carlo Method</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D044367" MajorTopicYN="Y">Phase Transition</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D013816" MajorTopicYN="N">Thermodynamics</DescriptorName></MeshHeading></MeshHeadingList></MedlineCitation><PubmedData><History><PubMedPubDate PubStatus="entrez"><Year>2012</Year><Month>2</Month><Day>25</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="pubmed"><Year>2012</Year><Month>3</Month><Day>1</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="medline"><Year>2012</Year><Month>6</Month><Day>19</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate></History><PublicationStatus>ppublish</PublicationStatus><ArticleIdList><ArticleId IdType="pubmed">22360175</ArticleId><ArticleId IdType="doi">10.1063/1.3678312</ArticleId></ArticleIdList></PubmedData></pubmed></record>Pour manipuler ce document sous Unix (Dilib)
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