کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
7156957 1462695 2015 14 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Enhancing nano-scale computational fluid dynamics with molecular pre-simulations: Unsteady problems and design optimisation
ترجمه فارسی عنوان
افزایش دینامیک سیالات محاسباتی در مقیاس نانو با استفاده از شبیه سازی های مولکولی: مشکلات نامناسب و بهینه سازی طراحی
موضوعات مرتبط
مهندسی و علوم پایه سایر رشته های مهندسی مکانیک محاسباتی
چکیده انگلیسی
We demonstrate that a computational fluid dynamics (CFD) model enhanced with molecular-level information can accurately predict unsteady nano-scale flows in non-trivial geometries, while being efficient enough to be used for design optimisation. We first consider a converging-diverging nano-scale channel driven by a time-varying body force. The time-dependent mass flow rate predicted by our enhanced CFD agrees well with a full molecular dynamics (MD) simulation of the same configuration, and is achieved at a fraction of the computational cost. Conventional CFD predictions of the same case are wholly inadequate. We then demonstrate the application of enhanced CFD as a design optimisation tool on a bifurcating two-dimensional channel, with the target of maximising mass flow rate for a fixed total volume and applied pressure. At macro scales the optimised geometry agrees well with Murray's Law for optimal branching of vascular networks; however, at nanoscales, the optimum result deviates from Murray's Law, and a corrected equation is presented.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computers & Fluids - Volume 115, 22 July 2015, Pages 46-53
نویسندگان
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