The First Open-Source Software for Non-Continuum Flows in Engineering

第一个用于工程非连续流的开源软件

• 批准号: EP/K038664/1
• 负责人: Duncan Lockerby
• 金额: $ 42.97万
• 依托单位: University of Warwick
• 依托单位国家: 英国
• 项目类别: Research Grant
• 财政年份: 2013
• 资助国家: 英国
• 起止时间: 2013 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=EP%2FK038664%2F1
• 关键词: First; Open; Source; Software; Non

This project is both multi-scale and multi-disciplinary, and spans research areas across physics, mechanical engineering, computer science and chemical engineering. Our aim is to produce, for the first time, a general, robust and efficient open-source code for the simulation of non-continuum flows for engineering applications. Such flows are vital to the performance of a number of potentially transformative future technologies (e.g., highly-efficient sea-water desalination using membranes of carbon nanotubes, and nano-structured hydrophobic surfaces for marine drag reduction) but they cannot be simulated using conventional continuum-fluid simulations. Our work exploits the core methodological advances emerging from the EPSRC Programme Grant "Non-equilibrium Fluid Dynamics for Micro/Nano Engineering Systems" (EP/I011927/1), which have demonstrated exciting potential in the multi-scale modelling of non-continuum flows using hybrid continuum-particle methods. The software developed in this project builds on the already widely-adopted open-source code OpenFOAM for computational fluid dynamics. In capitalising on a) the success of the UK's OpenFOAM software and b) the EPSRC's Programme Grant investment in a strategic research area, this project aims to bring sustainability to both.

该项目是多尺度、多学科的，跨越物理、机械工程、计算机科学和化学工程的研究领域。我们的目标是首次生成通用、稳健且高效的开源代码，用于工程应用的非连续流模拟。这种流动对于许多潜在的变革性未来技术的性能至关重要（例如，使用碳纳米管膜进行高效海水淡化，以及用于减少海洋阻力的纳米结构疏水表面），但它们无法使用传统的连续流体模拟进行模拟。我们的工作利用了 EPSRC 计划拨款“微/纳米工程系统的非平衡流体动力学”(EP/I011927/1) 中出现的核心方法论进展，该计划在使用混合连续介质-粒子方法对非连续介质流进行多尺度建模方面展示了令人兴奋的潜力。该项目开发的软件建立在已经广泛采用的计算流体动力学开源代码 OpenFOAM 的基础上。该项目利用 a) 英国 OpenFOAM 软件的成功和 b) EPSRC 在战略研究领域的计划拨款投资，旨在为两者带来可持续性。

项目成果

A hybrid molecular-continuum method for unsteady compressible multiscale flows

• DOI: 10.1017/jfm.2015.83
• 发表时间: 2015-04-01
• 期刊: JOURNAL OF FLUID MECHANICS
• 影响因子: 3.7
• 作者: Borg, Matthew K.;Lockerby, Duncan A.;Reese, Jason M.
• 通讯作者: Reese, Jason M.

The FADE mass-stat: a technique for inserting or deleting particles in molecular dynamics simulations.

FADE 质量统计：一种在分子动力学模拟中插入或删除粒子的技术。

• DOI: 10.1063/1.4865337
• 发表时间: 2014
• 期刊: The Journal of chemical physics
• 作者: Borg MK

A hybrid molecular-continuum simulation method for incompressible flows in micro/nanofluidic networks

• DOI: 10.1007/s10404-013-1168-y
• 发表时间: 2013-03
• 期刊: Microfluidics and Nanofluidics
• 影响因子: 2.8
• 作者: M. Borg;D. Lockerby;J. Reese

A Laplacian-based algorithm for non-isothermal atomistic-continuum hybrid simulation of micro and nano-flows

• DOI: 10.1016/j.cma.2013.05.020
• 发表时间: 2013-09
• 期刊: Computer Methods in Applied Mechanics and Engineering
• 影响因子: 7.2
• 作者: A. Alexiadis;D. Lockerby;M. Borg;J. Reese

Multiscale simulation of heat transfer in a rarefied gas

• DOI: 10.1016/j.ijheatfluidflow.2014.06.003
• 发表时间: 2014-12
• 期刊: International Journal of Heat and Fluid Flow
• 影响因子: 2.6
• 作者: Stephanie Y. Docherty;M. Borg;D. Lockerby;J. Reese