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Universität Heidelberg

1. Wagner, Johannes Andreas. How internal stress influences molecular properties on multiple scales.

Degree: PhD, The Faculty of Physics and Astronomy, 2017, Universität Heidelberg

Internal stress in molecular structures is increasingly appearing as a crucial I factor in determining functional properties at a large range of length scales. The present work has investigated the e ect of stress for two distinct molecular processes, chemical reactions and straining of a two-phase ber, using a highly interdisciplinary approach involving quantum-mechanical and nite element simulations. First, with the aim of better understanding the contribution of stress to reactivity, we discovered that kinetics of strain-promoted cycloadditions can be nely tuned by exploiting the reactants' stereoisomeric and regioselective states and thereby the strain coupled to the reaction. Secondly, at longer length scales, we dissected the contributions of stress to the mechanical properties of complex materials. Our simulations predict a stress-induced ordering in spider silk, which was validated by scattering experiments. Beyond the basic understanding of the investigated systems, the findings presented in this work open new scenarios for the possibility to enhance strain-dependent chemical reactivity and the mechanics of composite materials. Advisors/Committee Members: Heermann, Dieter (advisor).

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APA (6th Edition):

Wagner, J. A. (2017). How internal stress influences molecular properties on multiple scales. (Doctoral Dissertation). Universität Heidelberg. Retrieved from http://www.ub.uni-heidelberg.de/archiv/23291; 10.11588/heidok.00023291

Chicago Manual of Style (16th Edition):

Wagner, Johannes Andreas. “How internal stress influences molecular properties on multiple scales.” 2017. Doctoral Dissertation, Universität Heidelberg. Accessed August 23, 2017. http://www.ub.uni-heidelberg.de/archiv/23291; 10.11588/heidok.00023291.

MLA Handbook (7th Edition):

Wagner, Johannes Andreas. “How internal stress influences molecular properties on multiple scales.” 2017. Web. 23 Aug 2017.

Vancouver:

Wagner JA. How internal stress influences molecular properties on multiple scales. [Internet] [Doctoral dissertation]. Universität Heidelberg; 2017. [cited 2017 Aug 23]. Available from: http://www.ub.uni-heidelberg.de/archiv/23291; 10.11588/heidok.00023291.

Council of Science Editors:

Wagner JA. How internal stress influences molecular properties on multiple scales. [Doctoral Dissertation]. Universität Heidelberg; 2017. Available from: http://www.ub.uni-heidelberg.de/archiv/23291; 10.11588/heidok.00023291

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