<oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
  <dc:creator>Wittmann, René</dc:creator>
  <dc:creator>Sitta, Christoph E.</dc:creator>
  <dc:creator>Smallenburg, Frank</dc:creator>
  <dc:creator>Löwen, Hartmut</dc:creator>
  <dc:date>2017-10-05</dc:date>
  <dc:description xmlns:ns0="xml" ns0:lang="en">A density functional theory for the bulk phase diagram of two-dimensional orientable  hard rods is proposed and tested against Monte Carlo computer simulation data. In  detail, an explicit density functional is derived from fundamental mixed measure  theory and freely minimized numerically for hard discorectangles. The phase diagram,  which involves stable isotropic, nematic, smectic, and crystalline phases, is obtained  and shows good agreement with the simulation data. Our functional is valid for a  multicomponent mixture of hard particles with arbitrary convex shapes and provides a  reliable starting point to explore various inhomogeneous situations of two-dimensional  hard rods and their Brownian dynamics.</dc:description>
  <dc:format>application/pdf</dc:format>
  <dc:identifier>https://folia.unifr.ch/global/documents/306120</dc:identifier>
  <dc:identifier>https://folia.unifr.ch/documents/306120/files/wit_pdt.pdf</dc:identifier>
  <dc:language>eng</dc:language>
  <dc:relation>info:eu-repo/semantics/altIdentifier/doi/10.1063/1.4996131</dc:relation>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>License undefined</dc:rights>
  <dc:source>The Journal of Chemical Physics. - 2017, vol. 147, no. 13, p. 134908</dc:source>
  <dc:subject>info:eu-repo/classification/udc/53</dc:subject>
  <dc:title xmlns:ns1="xml" ns1:lang="en">Phase diagram of two-dimensional hard rods from fundamental mixed measure density functional theory</dc:title>
  <dc:type>http://purl.org/coar/resource_type/c_6501</dc:type>
</oai_dc:dc>
