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Quantifying Disorder in Quantum Dots Using Molecular Dynamics Simulation
Field, Thomas B
Field, Thomas B
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Abstract
This study investigates the temperature-dependent structural evolution of quantum dots through molecular dynamics simulations. Analysis of the radial distribution and change in the pair distribution function reveals a progressive loss in structural order as temperature increases. Comparison with experimental tests demonstrates agreement of these trends, validating the computational approach. Mean squared displacement analysis clearly displays increased mobility at elevated temperatures, and the Debye-Waller factor highlights size-dependent behavior, with smaller quantum dots exhibiting higher Debye-Waller factor values and greater thermal response. The findings from these simulations deepen our understanding of quantum dot behavior under varying conditions, providing insights for fundamental research and practical applications in nanotechnology.
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2024-01-01
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Quantifying_disorder_in_QD.pdf
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- Embargoed until 2026-05-12
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Mechanical Engineering