全國功能材料量子設(shè)計和量子物理研究生培訓(xùn)(已修改)
2025-01-25 06:39 本頁面
【正文】 Materials Modeling and Simulation from the atomic to the mesoscopic scales Feng Liu Department of Materials Science and Engineering University of Utah, Salt Lake City, UT Overview of Computational Materials Science Firstprinciples (ab initio) Method basic concepts and approximations parallel implementation edge dislocation in Si Molecular Dynamics Simulation carbon nanotubes Mesoscopic Simulation selfassembly/selfanization of quantum dots quantum wires Outline ExperimentTheoryComputation Theory Newtonian mechanics Statistical mechanics Quantum mechanics Computation nanoscopic Atomistic Electronic Experiment Advance of Computer Power (From F. F. Abraham) Mission To explore the various materials properties by putational modeling and simulation Physical model + algorithm materials properties Objective Not only to elucidate existing experimental results but also to predict new materials and novel materials properties to be explored by experiments E T C Selfassembly and selfanization of Nanostructures (quantum dots and quantum wires) Nanofabrication: Mechanical properties of nanoscale thin films and of carbon nanotubes Nanomechanics/nanomechanical architecture: Computational designing of nanoscale thinfilm and CNT devices (sensors, switches,…) Nanoelectronics: Firstprinciples simulation of AFM and STM imaging Nanoimaging: Nanocluster engineering of catalytic surfaces Nanocatalysis: Current amp。 NearFuture Research Topics Computational Software (theory/modeling/simulation packages) Firstprinciples and empirical electron
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