Accession Number : ADA258070


Title :   Molecular Films for Opto-Electronics


Descriptive Note : Final rept. 1 Oct 1989-30 Jun 1992


Corporate Author : MANCHESTER UNIV/UNIV OF MANCHESTER INST OF SCIENCE AND TECHNOLOGY (UNITED KINGDOM) DEPT OF METALLURGY


Personal Author(s) : Williams, J O


Full Text : https://apps.dtic.mil/dtic/tr/fulltext/u2/a258070.pdf


Report Date : 24 Sep 1992


Pagination or Media Count : 44


Abstract : Molecular dynamics computer simulations have been used to model monolayer and trilayer Langmuir-Blodgett films formed by model amphiphilic molecules. Several factors have been identified that control film structure and stability, thus giving insight into optimum molecular design. Head-groups and the substituent position of hydrocarbon chains should be designed to maximise the stability of layer-like packing. Molecular tilt is an important factor since it results in local structural defects and roughening of interfaces which could lead to formation of long range inhomogeneities. Numerical calculations of non- linear optical response have been performed for model LB films in which molecules are treated as rigid strings of beads to represent their size, shape and orientation. Interactions between molecules are obtained as planewise dipole sums which prove to be negligible except within a layer.


Descriptors :   *OPTICAL EQUIPMENT , *FILMS , *ELECTRONIC EQUIPMENT , *MOLECULAR PROPERTIES , CONTROL , SIMULATION , OPTICS , MODELS , COMPUTERS , INTERFACES , MOLECULES , STRUCTURES , TILT , ROUGHNESS , DIPOLES , HYDROCARBONS , CHAINS , RESPONSE , NONLINEAR OPTICS , SINGLE CRYSTALS , HARMONICS , BEADS , SHAPE , LAYERS , DYNAMICS , INTERACTIONS , STABILITY , OPTICAL PROPERTIES , ELECTRONICS


Subject Categories : Organic Chemistry
      Physical Chemistry
      Coatings, Colorants and Finishes
      Atomic and Molecular Physics and Spectroscopy


Distribution Statement : APPROVED FOR PUBLIC RELEASE