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What are the different approaches to introducing cascade in multiscale modeling of irradiated materials? 


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In the multiscale modeling of irradiated materials, various approaches are employed to introduce cascades. One method involves utilizing statistical averages of collision cascades from molecular dynamics (MD) simulations to provide inputs for Kinetic Monte Carlo (KMC) simulations, enabling the handling of larger sizes and longer durations . Another approach focuses on modeling the distribution of sizes of defect clusters formed by high-energy impacts, providing initial conditions for quantitative multi-scale simulations of microstructural evolution . Additionally, a modified "rate theory" approach incorporates pulsed sources to capture the discrete occurrence of distinct displacement damage cascades, revealing the elimination of defect populations by absorption and recombination before new defects are introduced, impacting the overall defect dynamics . These diverse strategies contribute to a comprehensive understanding of cascade effects in irradiated materials.

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The paper introduces a rate-theory approach with random cascades in space and time to model irradiation damage, capturing discrete occurrence of displacement damage cascades in multiscale modeling.
Not addressed in the paper.
Open accessJournal ArticleDOI
Manoj Warrier, U. Bhardwaj, S. Bukkuru 
01 Oct 2016
4 Citations
Statistical averages from MD simulations are used to input Kinetic Monte Carlo simulations for handling larger scales, more defects, and longer durations in multiscale modeling of irradiated materials.
The paper introduces a model for defect cluster size distribution from high-energy impacts in tungsten, aiding in providing initial conditions for multiscale simulations of microstructural evolution in irradiated materials.

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