Using modeling and computer simulation, this research focuses on studying two different views to organizational design and their implications for performance in the context of academic institutions. One view represents the manifest structure that includes resources (students, faculty, administration, facilities, finances, partners, donors, etc.); the other view represents the latent structure that focuses on dissent. The dissertation addresses the following two questions; 1. What are the tangible dynamic interdependencies constituting the manifest structure within academic institutions and their impact on performance? 2. What is the impact of the latent structures composed of intangible organizational processes, especially dissent, on performance? The dissertation proposes generic system dynamics simulation models untangling the complexity of the topic by tackling various slices of the problem in separate papers. The models are based on three different theoretical frameworks addressing resources and their composition, dissent, and stakeholder engagement. It is observed that while both the manifest and the latent parts of the university organization impact its performance, the latent part, being invisible, is often ignored. In the long run, the influence of the latent part of the organization can slowly but seriously compromise intangible performances components like quality, reputation, and attractiveness. When the manifest part of the organization is dysfunctional, its tangible performance rapidly suffers. The damage control policies will often impact the latent organizational performance leading the institution into a vicious cycle. The presence of time delays in this framework may create an oscillatory behavior that might modulate a growth or decline trend. Performance measures addressing intangible performance components must be factored into the organizational design since faculty, students, and other stakeholders are not only driven by financial rewards, but also by the organizational environment. The research, besides addressing the important question of the role of latent elements in organization design and demonstrating this can be done using system dynamics modeling and computer simulation, should also be of value to the design and management of higher education institutions.

Les applications des nanoparticules métalliques nécessitent des assemblées monodisperses et stables sur un substrat tel que le graphène ou le graphite. Le graphène épitaxié sur métal (GEM) est étudié, car il facilite l'auto-organisation des adsorbats. La différence entre les mailles du graphène et du métal conduit à un effet de moiré contenant certaines régions favorables de l'adsorption. Ce travail est consacré surtout aux systèmes Ru-C et Pt-C où nous nous sommes intéressé au substrat du GEM nu, des agrégats y etant deposés et des agrégats métalliques sur graphite. Les potentiels d'ordre de liason permettent de mener des études en dynamique moléculaire sur des systèmes de taille réaliste à température finie. Dans le cas du système Pt-C une paramétrisation est disponible dans la littérature. Cependant, pour le système du Ru-C une paramétrisation sur la base de données DFT était nécessaire. Ce modèle atomistique néglige les forces de dispersion importantes pour des milieux étendus. Basé sur les modèles de Grimme, nous avons développé une description implicite tenant compte de la structure du substrat et son extension semi-infinie. De plus les effets d'écrantage importants pour des milieux métalliques sont pris en compte. Basé sur ce champ de force nous montrons des propriétés des adsorbats sur des substrats carbonés où nous évaluons le modèle de forces de dispersion. Grâce à des simulations de dynamique moléculaire, la stabilité des adsorbats et du graphène a été étudié dans le contexte de la dynamique vibrationnelle et de diffusion. En accord avec les expériences, la mobilité des adsorbats sur graphite s'avère élevée en comparaison avec des adsorbats sur GEM / Applications of metal nanoparticles require monodisperse and stable assemblies on a substrate such as graphene or graphite. Epitaxial graphene on metal (GOM) has attracted research interest because it contributes to the self-organisation of adsorbates. The difference in the lattice constants of graphene and metal leads to a moiré that contains certain regions that are favorable for adsorption. This work is mainly concerned with the Ru-C and Pt-C systems where we were interested in the bare substrate of GOM, adsorbates deposited thereon and metal clusters on graphite. Bond order potentials allow to carry out molecular dynamics studies for systems of realistic size and at finite temperature. In the case of the Pt-C, a parametrization is available in the literature. However, for Ru-C systems a custom parametrization effort based on data from electronic structure calculations was necessary. This atomistic model neglects long ranged dispersion forces that are important for adsorption phenomena on extended substrates. Based on the Grimme models, we developed an implicit description that takes the layered structure and the semi-infinite extension of the substrate into account. Also, screening effects that are important for metal materials are taken into account. Based on this force field, we show results concerning the properties of adsorbates on carbon substrates while evaluating the dispersion model. With the help of molecular dynamics simulations, the stability of adsorbates and graphene has been studied in the context of vibrational and diffusion dynamics. In agreement with experiments, the mobility of the adsorbates on graphite is high in comparison with adsorbates on GOM

Using modeling and computer simulation, this research focuses on studying two different views to organizational design and their implications for performance in the context of academic institutions. One view represents the manifest structure that includes resources (students, faculty, administration, facilities, finances, partners, donors, etc.); the other view represents the latent structure that focuses on dissent. The dissertation addresses the following two questions; 1. What are the tangible dynamic interdependencies constituting the manifest structure within academic institutions and their impact on performance? 2. What is the impact of the latent structures composed of intangible organizational processes, especially dissent, on performance? The dissertation proposes generic system dynamics simulation models untangling the complexity of the topic by tackling various slices of the problem in separate papers. The models are based on three different theoretical frameworks addressing resources and their composition, dissent, and stakeholder engagement. It is observed that while both the manifest and the latent parts of the university organization impact its performance, the latent part, being invisible, is often ignored. In the long run, the influence of the latent part of the organization can slowly but seriously compromise intangible performances components like quality, reputation, and attractiveness. When the manifest part of the organization is dysfunctional, its tangible performance rapidly suffers. The damage control policies will often impact the latent organizational performance leading the institution into a vicious cycle. The presence of time delays in this framework may create an oscillatory behavior that might modulate a growth or decline trend. Performance measures addressing intangible performance components must be factored into the organizational design since faculty, students, and other stakeholders are not only driven by financial rewards, but also by the organizational environment. The research, besides addressing the important question of the role of latent elements in organization design and demonstrating this can be done using system dynamics modeling and computer simulation, should also be of value to the design and management of higher education institutions.