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  • 1
    Electronic Resource
    Electronic Resource
    Monte Carlo Simulation of Electroactive Polymer Actuators (2008)
    s.l. ; Stafa-Zurich, Switzerland
    Advances in science and technology Vol. 61 (Sept. 2008), p. 101-102 
    Details
    ISSN: 1662-0356
    Source: Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
    Topics: Natural Sciences in General , Technology
    Notes: In order to understand the mechanism of the bending motion of the electroactive polymeractuators from the molecular interaction, we performed Monte Carlo simulations in two length scales;the micrometer scale and the nanometer scale. In the micrometer scale picture, the bending motion ofan actuator can be viewed as the inhomogeneous expansion/contraction of the three layer system. Wetheoretically formulated the deformation of the actuator in terms of the elastic constants and the stressexerted due to the applied voltage. For the nanometer scale, noting that the electrodes of the EAPactuators have porous structures, we modeled the anode and the cathode by the porous electrodeswhere the ions are confined in the space with the dimension comparable to the ion size. We foundthat significant osmotic stress arises in the porous electrodes when voltage is applied. The results ofsuch multi-scale analyses are combined with the experimental results to obtain the insights into themolecular mechanism of the actuators and to give the guideline for the molecular design of theactuators
    Type of Medium: Electronic Resource
    URL: http://www.tib-hannover.de/fulltexts/2011/0528/01/42/transtech_doi~10.4028%252Fwww.scientific.net%252FAST.61.101.pdf
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Effect of heavy atom on the second hyperpolarizability of tetrahydrofuran homologs investigated by ab initio molecular orbital method (1998)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 70 (1998), S. 737-743 
    Details
    ISSN: 0020-7608
    Keywords: Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Static second hyperpolarizabilities were calculated for molecules including tetrahydrofuran homologs by ab initio molecular orbital methods at the Hartree-Fock and various correlation levels. Substitution of the heteroatom with a heavier atom is found to be effective for increase of the second hyperpolarizability of these homologs. Comparison between the present results and previous results for furan homologs shows that π-conjugation is not effective for the increase of second hyperpolarizability of the molecules when the heteroatom is heavier.   © 1998 John Wiley & Sons, Inc. Int J Quant Chem 70: 737-743, 1998
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
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    Paper (German National Licenses)
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