AN ATOMISTIC-CONTINUUM HYBRID APPROACH FOR MODELLING TRANSPORT PHENOMENA AT THE MICRO- AND NANO-SCALE

机译：一种用于在微型和纳米规模上建模运输现象的原子 - 连续杂交方法

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In this work, the atomistic-continuum hybrid model called the Laplacian method is introduced as a framework for modeling transport phenomena at the micro and nano-scale. The method is explained and the micro-to-macro and macro-to-micro coupling steps discussed. Three techniques for noise reduction (namely the bonsai box, the seamless strategy and the continuum estimation) are discussed. Comparison with benchmark full-MD cases shows very accurate results.

机译：在这项工作中，将称为Laplacian方法的原子 - 连续杂交模型作为用于在微型和纳米级的运输现象建模的框架。解释该方法以及讨论的微孔和微距和微耦合步骤。讨论了三种降噪技术（即盆景盒，无缝策略和连续估计）。与基准全MD案例的比较显示了非常准确的结果。

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《ASME International Conference on Nanochannels, Microchannels, and Minichannels》|2013年||共6页
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Alessio Alexiadis; Matthew K. Borg; Duncan A. Lockerby; Jason M. Reese;
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AN ATOMISTIC-CONTINUUM HYBRID APPROACH FOR MODELLING TRANSPORT PHENOMENA AT THE MICRO- AND NANO-SCALE

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