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    Electronic Resource
    Electronic Resource
    A Computational Model for Nanoscale Self-Assembly of Monolayer Surfaces (2007)
    s.l. ; Stafa-Zurich, Switzerland
    Solid state phenomena Vol. 121-123 (Mar. 2007), p. 1033-1036 
    Details
    ISSN: 1662-9779
    Source: Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
    Topics: Physics
    Notes: A computational model is proposed to analyze the nanoscale self-assemblingphenomenon of monolayers on heterogeneous surfaces. Morse potential is used to describe the pairpotentialbetween molecules or atoms. Minimization of free energy is used to regulate differentphases and lattices to form optimized heterogeneous structures of different sizes with periodicalpatterns. A representative volume element (RVE) is first defined and an optimization algorithm isdeveloped to adjust the positions of particles in it to reduce its potential until global equilibrium isreached. The pair-potential distribution in the monolayer and the substrate layers are studied. It isinteresting to observe that the pair-potential distribution in the substrate layers resumes uniformityjust a few layers away from the interfacial boundary
    Type of Medium: Electronic Resource
    URL: http://www.tib-hannover.de/fulltexts/2011/0528/02/23/transtech_doi~10.4028%252Fwww.scientific.net%252FSSP.121-123.1033.pdf
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