Multiscale modeling of ultrafast melting phenomena
نویسندگان
چکیده
Abstract Ultraviolet Nanosecond Laser Annealing (LA) is a powerful tool for both fundamental investigations of ultrafast, nonequilibrium phase-change phenomena and technological applications (e.g., the processing 3D sequentially integrated nano-electronic devices) where strongly confined heating melting desirable. Optimizing LA process along with experimental design challenging, especially when involving complex 3D-nanostructured systems various shapes phases. To this purpose, it essential to model critical nanoscale physical LA-induced phenomena, such as shape changes or formation evolution point extended defects. date, simulators are based on continuum models, which cannot fully capture microscopic kinetics solid–liquid interface. In work atomistic simulation methodology presented, parallel coupling continuum, finite elements, μm-scale electromagnetic-thermal solver super-lattice Kinetic Monte Carlo melting. Benchmarks against phase-field models data validate approach. Si(001) surface studied varying laser fluence pulse shape, assuming homogeneous inhomogeneous nucleation, revealing how liquid Si nuclei generate, deform coalesce during irradiation. The proposed applicable any system atom determined by space- time-dependent field, temperature strain.
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ژورنال
عنوان ژورنال: npj computational materials
سال: 2022
ISSN: ['2057-3960']
DOI: https://doi.org/10.1038/s41524-022-00720-y