Uncertainty quantification in ion-solid interaction simulations
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms(2017)
摘要
Within the framework of Bayesian uncertainty quantification we propose a non-intrusive reduced-order spectral approach (polynomial chaos expansion) to the simulation of ion–solid interactions. The method not only reduces the number of function evaluations but provides simultaneously a quantitative measure for which combinations of inputs have the most important impact on the result. It is applied to SDTRIM-simulations (Möller et al., 1988) with several uncertain and Gaussian distributed input parameters (i.e. angle, projectile energy, surface binding energy, target composition) and the results are compared to full-grid based approaches and sampling based methods with respect to reliability, efficiency and scalability.
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关键词
Polynomial chaos,Spectral expansion,Discrete projection,Uncertainty quantification,Ion–solid interaction,SDTRIM
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