Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 6 of 6 for “"Nanoscale Modeling"”.
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Molecular Sensors at the Nanoscale: Modeling and Technology
L'abstract è presente nell'allegato / the abstract is in the attachment
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Studying phonon mean free paths at the nanoscale : modeling and experiments
Heat conduction in semiconductors and dielectrics involves cumulative contributions from phonons with different frequencies and mean free paths (MFPs). Knowing the phonon MFP distribution allows us to gain insight into the fundamental microscopic transport physics and has important implications for …
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Nanoscale modeling of materials: post deposition morphological evolution of fcc metal surfaces
… phenomena take place. To facilitate unbiased modeling of material properties, a novel way of performing KMC simulations is presented. In this approach the lists of diffusion processes are automatically collected during the simulation using a saddle-point search method in the potential energy …
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Micro/nanoscale modeling of anisotropic mechanical properties of polymer/layered-silicate nanocomposites
Polymer nano-clay composites have been observed to exhibit dramatic enhancements in mechanical properties with relatively low filler loadings (1-4 percent volume fraction). These property enhancements have been speculated to be a result of the change in polymer morphology and properties within the …
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Accelerating Material Inverse Design in High-Dimensional Continuous Spaces with Autonomous Machine Learning Ecosystems
Modeling and designing materials at the nanoscale is essential for advancing new technologies in crucial areas such as energy, electronics, and catalysis. By gaining control over structure at the atomic level, we can now pursue inverse design, where the goal is to start from a desired property and …
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Atomistic Characterization and Modeling of the Deformation and Failure Properties of Asphalt-Aggregate Interface
… The deformation and failure behaviors, e.g. nanoscale strength, deformation, stiffness, and adhesion/cohesion at asphalt-aggregate interfaces are all evaluated by means of atomistic simulations. The atomistic modeling approach is employed to simulate mechanical properties, which is connected …