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Numerical computation of fluid properties at nano/meso scales. / Peter Dyson

Swansea University Author: Peter Dyson

Abstract

Engineering systems are increasingly being developed with dimensions within the micro to nano scale. Mature simulation schemes are available for large scale systems (> 0.5mum) in the form of continuum mechanics, and for small scale systems (< 50nn). However, there is to simulation scheme that...

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Published: 2006
Institution: Swansea University
Degree level: Doctoral
Degree name: Ph.D
URI: https://cronfa.swan.ac.uk/Record/cronfa42784
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first_indexed 2018-08-02T18:55:32Z
last_indexed 2018-08-03T10:11:05Z
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spelling 2018-08-02T16:24:30.4765951 v2 42784 2018-08-02 Numerical computation of fluid properties at nano/meso scales. e831844dd245db2df88e66c58291c28c NULL Peter Dyson Peter Dyson true true 2018-08-02 Engineering systems are increasingly being developed with dimensions within the micro to nano scale. Mature simulation schemes are available for large scale systems (> 0.5mum) in the form of continuum mechanics, and for small scale systems (< 50nn). However, there is to simulation scheme that covers the middle, meso scale, range between them. The work presented in this thesis focuses on the development of a computational framework focused on fluid systems on the nano- meso scale, with characteristic dimensions between 50nm and 500nm. Existing methods approach the meso scale either with approximated molecular behaviour from the 'top down', or directly modelling molecular physics from the 'bottom up'. Top down approaches have the disadvantage of only including known behaviour with some statistical variations to approximate chaotic behavior. Bottom up approaches model the fluid from a molecular physics model, but fail to capture bulk fluid behaviour and are computationally expensive. The approach developed in this thesis, covers the middle ground between continuum and molecular simulation scales. A molecular physics model is used to govern the behaviour of the fluid, and is surrounded by a set of meso scale boundary conditions, providing an accurate and efficient fluid model. Bulk fluid behaviour is extracted in the form of ensemble property distributions in a versatile grid-like implementation, allowing the fluid properties to be calculated from first principles accurately and efficiently. Each part of the developed method is validated separately. The physics model is compared with published results of simulations at molecular scales, as there is insufficient information for meso scale fluid systems. The bulk ensemble property collection scheme is fully explored by means of a parametric study. Case studies are presented to highlight how bulk fluid properties, such as velocity, temperature and pressure, can be examined as distributions in time and space over the flow field in channel flow systems. The approach developed in this thesis opens the door to accurate and efficient meso scale fluid simulation. This work has also identified the next step to widen and improve the abilities for meso scale fluids to be fully investigated. E-Thesis Computer engineering.;Fluid mechanics.;Nanotechnology. 31 12 2006 2006-12-31 COLLEGE NANME Engineering COLLEGE CODE Swansea University Doctoral Ph.D 2018-08-02T16:24:30.4765951 2018-08-02T16:24:30.4765951 Faculty of Science and Engineering School of Engineering and Applied Sciences - Uncategorised Peter Dyson NULL 1 0042784-02082018162521.pdf 10807560.pdf 2018-08-02T16:25:21.6600000 Output 39614409 application/pdf E-Thesis true 2018-08-02T16:25:21.6600000 false
title Numerical computation of fluid properties at nano/meso scales.
spellingShingle Numerical computation of fluid properties at nano/meso scales.
Peter Dyson
title_short Numerical computation of fluid properties at nano/meso scales.
title_full Numerical computation of fluid properties at nano/meso scales.
title_fullStr Numerical computation of fluid properties at nano/meso scales.
title_full_unstemmed Numerical computation of fluid properties at nano/meso scales.
title_sort Numerical computation of fluid properties at nano/meso scales.
author_id_str_mv e831844dd245db2df88e66c58291c28c
author_id_fullname_str_mv e831844dd245db2df88e66c58291c28c_***_Peter Dyson
author Peter Dyson
author2 Peter Dyson
format E-Thesis
publishDate 2006
institution Swansea University
college_str Faculty of Science and Engineering
hierarchytype
hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Engineering and Applied Sciences - Uncategorised{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Engineering and Applied Sciences - Uncategorised
document_store_str 1
active_str 0
description Engineering systems are increasingly being developed with dimensions within the micro to nano scale. Mature simulation schemes are available for large scale systems (> 0.5mum) in the form of continuum mechanics, and for small scale systems (< 50nn). However, there is to simulation scheme that covers the middle, meso scale, range between them. The work presented in this thesis focuses on the development of a computational framework focused on fluid systems on the nano- meso scale, with characteristic dimensions between 50nm and 500nm. Existing methods approach the meso scale either with approximated molecular behaviour from the 'top down', or directly modelling molecular physics from the 'bottom up'. Top down approaches have the disadvantage of only including known behaviour with some statistical variations to approximate chaotic behavior. Bottom up approaches model the fluid from a molecular physics model, but fail to capture bulk fluid behaviour and are computationally expensive. The approach developed in this thesis, covers the middle ground between continuum and molecular simulation scales. A molecular physics model is used to govern the behaviour of the fluid, and is surrounded by a set of meso scale boundary conditions, providing an accurate and efficient fluid model. Bulk fluid behaviour is extracted in the form of ensemble property distributions in a versatile grid-like implementation, allowing the fluid properties to be calculated from first principles accurately and efficiently. Each part of the developed method is validated separately. The physics model is compared with published results of simulations at molecular scales, as there is insufficient information for meso scale fluid systems. The bulk ensemble property collection scheme is fully explored by means of a parametric study. Case studies are presented to highlight how bulk fluid properties, such as velocity, temperature and pressure, can be examined as distributions in time and space over the flow field in channel flow systems. The approach developed in this thesis opens the door to accurate and efficient meso scale fluid simulation. This work has also identified the next step to widen and improve the abilities for meso scale fluids to be fully investigated.
published_date 2006-12-31T03:53:38Z
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score 11.012678

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