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  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.
1

Molecular Dynamics Studies of Low-Energy Atom Impact Phenomena on Metal Surfaces during Crystal Growth

Adamovic, Dragan January 2006 (has links)
It is a well-known fact in the materials science community that the use of low-energy atom impacts during thin film deposition is an effective tool for altering the growth behavior and for increasing the crystallinity of the films. However, the manner in which the incident atoms affect the growth kinetics and surface morphology is quite complicated and still not fully understood. This provides a strong incentive for further investigations of the interaction among incident atoms and surface atoms on the atomic scale. These impact-induced energetic events are non-equilibrium, transient processes which complete in picoseconds. The only accessible technique today which permits direct observation of these events is molecular dynamics (MD) simulations. This thesis deals with MD simulations of low-energy atom impact phenomena on metal surfaces during crystal growth. Platinum is chosen as a model system given that it has seen extended use as a model surface over the past few decades, both in experiments and simulations. In MD, the classical equations of motion are solved numerically for a set of interacting atoms. The atomic interactions are calculated using the embedded atom method (EAM). The EAM is a semi-empirical, pair-functional interatomic potential based on density functional theory. This potential provides a physical picture that includes many-atom effects while retaining computational efficiency needed for larger systems. Single adatoms residing on a surface constitute the smallest possible clusters and are the fundamental components controlling nucleation kinetics. Small two-dimensional clusters on a surface are the result of nucleation and are present during the early stages of growth. These surface structures are chosen as targets in the simulations (papers I and II) to provide further knowledge of the atomistic processes which occur during deposition, to investigate at which impact energies the different kinetic pathways open up, and how they may affect growth behavior. Some of the events observed are adatom scattering, dimer formation, cluster disruption, formation of three-dimensional clusters, and residual vacancy formation. Given the knowledge obtained, papers III and IV deal with growth of several layers with the aim to study the underlying mechanisms responsible for altering growth behavior and how the overall intra- and interlayer atomic migration can be controlled by low-energy atom impacts. / <p>On the day of the defence date the status of article II was Accepted.</p>
2

Topography-controlled alignment of DNA origami nanotubes on nanopatterned surfaces

Teshome, Bezuayehu, Facsko, Stefan, Keller, Adrian 02 December 2019 (has links)
The controlled positioning of DNA nanostructures on technologically relevant surfaces represents a major goal along the route toward the full-scale integration of DNA-based materials into nanoelectronic and sensor devices. Previous attempts to arrange DNA nanostructures into defined arrays mostly relied on top-down lithographic patterning techniques combined with chemical surface functionalization. Here we combine two bottom-up techniques for nanostructure fabrication, i.e., self-organized nanopattern formation and DNA origami self-assembly, in order to demonstrate the electrostatic self-alignment of DNA nanotubes on topographically patterned silicon surfaces. Self-organized nanoscale ripple patterns with periodicities ranging from 20 nm to 50 nm are fabricated by low-energy ion irradiation and serve as substrates for DNA origami adsorption. Electrostatic interactions with the charged surface oxide during adsorption direct the DNA origami nanotubes to the ripple valleys and align them parallel to the ripples. By optimizing the pattern dimensions and the Debye length of the adsorption buffer, we obtain an alignment yield of ~70%. Since this novel and versatile approach does not rely on any chemical functionalization of the surface or the DNA nanotubes, it can be applied to virtually any substrate material and any top-down or bottom-up nanopatterning technique. This technique thus may enable the wafer-scale fabrication of ordered arrays of functional DNA-based nanowires.

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