"HiLeMMS": High-Level Mesoscale Modelling System
Lead Research Organisation:
Science and Technology Facilities Council
Department Name: Scientific Computing Department
Abstract
Mesoscale modelling plays a very important role in addressing a broad range of engineering and science challenges involving multiscale and multiphysics fluid flows. To accurately simulate these innovative flows, it is necessary to have a computer modelling system capable of efficiently managing complex geometries and data structures, and harnessing fully high performance computing power brought by emerging hardware architectures. However, these prove to be two major obstacles: while there is no single method of geometry description and data structure suitable for all flows, as well as competing computing platforms requiring different programming techniques, it is very time-consuming if not impossible for a single research group to develop such a system that can easily switch between different geometry descriptions and different hardware platforms.
To tackle this challenge, we propose to develop a high-level mesoscale modelling system (HiLeMMS) on the basis of existing infrastructures. There have been successful efforts exploiting a high-level abstraction approach to hide the details of parallelism and handling a single method of geometry description and data structure, such as the Oxford Parallel Library for Structured-mesh solvers (OPS) for multi-block applications from Oxford University and the Chombo library for adaptive mesh refinement from the Lawrence Berkeley National Laboratory. Importantly, these libraries will support major emerging hardware architectures. Therefore, we will build HiLeMMS by constructing a high-level abstraction layer specifically for the lattice Boltzmann method on top of these libraries. In this way, HiLeMMS will hide and automate the programming required for utilising existing libraries, and speed up application development. The application developer will only need to write code once, and then will enjoy the flexibility of switching libraries with minimal effort to obtain the capability required for the scientific problem.
The lattice Boltzmann code in the DL_MESO package (DL_MESO_LBE) will be re-engineered using HiLeMMS so that the code can have the capability of managing different geometry and data structures as well as efficient execution on emerging hardware platforms. Benefiting from the high-level framework, we will further develop a number of new functionalities into the package, extending the capabilities to model non-continuum gas flows, fluid-structure interactions and multiphase flows.
To tackle this challenge, we propose to develop a high-level mesoscale modelling system (HiLeMMS) on the basis of existing infrastructures. There have been successful efforts exploiting a high-level abstraction approach to hide the details of parallelism and handling a single method of geometry description and data structure, such as the Oxford Parallel Library for Structured-mesh solvers (OPS) for multi-block applications from Oxford University and the Chombo library for adaptive mesh refinement from the Lawrence Berkeley National Laboratory. Importantly, these libraries will support major emerging hardware architectures. Therefore, we will build HiLeMMS by constructing a high-level abstraction layer specifically for the lattice Boltzmann method on top of these libraries. In this way, HiLeMMS will hide and automate the programming required for utilising existing libraries, and speed up application development. The application developer will only need to write code once, and then will enjoy the flexibility of switching libraries with minimal effort to obtain the capability required for the scientific problem.
The lattice Boltzmann code in the DL_MESO package (DL_MESO_LBE) will be re-engineered using HiLeMMS so that the code can have the capability of managing different geometry and data structures as well as efficient execution on emerging hardware platforms. Benefiting from the high-level framework, we will further develop a number of new functionalities into the package, extending the capabilities to model non-continuum gas flows, fluid-structure interactions and multiphase flows.
Planned Impact
HiLeMMS uses an innovative way to hide and automate the programming required for utilising existing libraries, and will provide a software infrastructure for mesoscopic modelling. This will result in a paradigm shift of application development in mesoscopic engineering research. Moreover, HiLeMMS will be released under the BSD license, which is free of charge for commercial usage. The re-engineered DL_MESO_LBE code with newly developed functionalities will provide ready-to-use code for tackling challenges in modelling complicated industrial processes at the mesoscale. Therefore, the work meets the national strategy on e-Infrastructure.
The impact will be felt by a broad ranges of areas, from computer aided engineering (CAE) software development to specific flow engineering fields. The CAE software industry, not only those using the lattice Boltzmann method but also others, will benefit from the success and lessons learnt in this project. The new DL_MESO_LBE code will be able to model challenging flow problems, which could not be reached previously, in areas such as aerospace engineering, oil and gas industries and boiling water reactors in nuclear power plants. Through these important engineering areas, the impact will eventually be felt more widely; for example, environmental improvements through aircraft drag reduction and the use of cleaner energy.
The impact will be felt by a broad ranges of areas, from computer aided engineering (CAE) software development to specific flow engineering fields. The CAE software industry, not only those using the lattice Boltzmann method but also others, will benefit from the success and lessons learnt in this project. The new DL_MESO_LBE code will be able to model challenging flow problems, which could not be reached previously, in areas such as aerospace engineering, oil and gas industries and boiling water reactors in nuclear power plants. Through these important engineering areas, the impact will eventually be felt more widely; for example, environmental improvements through aircraft drag reduction and the use of cleaner energy.
Organisations
- Science and Technology Facilities Council (Lead Research Organisation)
- DURHAM UNIVERSITY (Collaboration)
- Cardiff University (Collaboration)
- UNIVERSITY OF BIRMINGHAM (Collaboration)
- WSP Group plc (Collaboration)
- Sichuan University (Collaboration)
- NEXT LIMIT DYNAMICS (Project Partner)
- University of Warwick (Project Partner)
- Shenzhen Finite Technology Co Ltd (Project Partner)
- Tongji University (Project Partner)
Publications
De Rosis A
(2020)
Multiphysics flow simulations using D3Q19 lattice Boltzmann methods based on central moments
in Physics of Fluids
Fang J
(2020)
On the turbulence amplification in shock-wave/turbulent boundary layer interaction
in Journal of Fluid Mechanics
Fei L
(2020)
Mesoscopic simulation of three-dimensional pool boiling based on a phase-change cascaded lattice Boltzmann method
in Physics of Fluids
Jackson FF
(2019)
Droplet Misalignment Limit for Inkjet Printing into Cavities on Textured Surfaces.
in Langmuir : the ACS journal of surfaces and colloids
Jiang XZ
(2020)
Membrane Deformation of Endothelial Surface Layer Interspersed with Syndecan-4: A Molecular Dynamics Study.
in Annals of biomedical engineering
Jiang XZ
(2020)
Sodium ion transport across the endothelial glycocalyx layer under electric field conditions: A molecular dynamics study.
in The Journal of chemical physics
Jiang XZ
(2020)
Principal mode of Syndecan-4 mechanotransduction for the endothelial glycocalyx is a scissor-like dimer motion.
in Acta physiologica (Oxford, England)
Lei T
(2021)
Pore-scale simulation of miscible viscous fingering with dissolution reaction in porous media
in Physics of Fluids
Lei T
(2020)
Differential diffusion effects on density-driven instability of reactive flows in porous media
in Physical Review Fluids
Lei T
(2021)
Study of pore-scale coke combustion in porous media using lattice Boltzmann method
in Combustion and Flame
Description | In this project, we have investigated the structure of an emerging method, the lattice Boltzmann method, for modelling fluid flows and identify a set of common elements of the method. A set of high-level interfaces are therefore designed for assembling computer programmes that are able to utilise future supercomputers. In particular, we have also proposed a few advanced programme ingredients including objects managing the geometry blocks and flow data distributed over a supercomputer. These primary elements will help researchers to easily add new models into the system. The interfaces have been implemented in a lattice Boltzmann code developed at the Daresbury Laboratory and released on the Github, while a couple of codes are under continuous and steady progress. A few advanced ingredients have been also developed and tested based on the Daresbury Laboratory implementation. |
Exploitation Route | The produced interface design and backend codes are publicly released on the Github. The wider community can read the document and download the codes for developing their applications and modelling flow problems. We have presented the development progress in such as the UKCOMES workshops, the DSFD conference and the EMiT conference and communicated with key partners. |
Sectors | Energy Environment Manufacturing including Industrial Biotechology Pharmaceuticals and Medical Biotechnology |
Description | The developed high-level system has been picked up by users, both nationally and internationally, in the lattice Boltzmann community, particularly those of the UK consortium of mesoscale engineering science. |
Sector | Aerospace, Defence and Marine,Environment,Manufacturing, including Industrial Biotechology |
Impact Types | Economic |
Description | Exascale Computing for System-Level Engineering: Design, Optimisation and Resilience |
Amount | £143,585 (GBP) |
Funding ID | EP/V001531/1 |
Organisation | Engineering and Physical Sciences Research Council (EPSRC) |
Sector | Public |
Country | United Kingdom |
Start | 03/2020 |
End | 12/2021 |
Description | Aeroacoustics |
Organisation | University of Birmingham |
Country | United Kingdom |
Sector | Academic/University |
PI Contribution | HiLeMMS is the chosen computer platform for conducting a undergraduate project on aeroacoustics. |
Collaborator Contribution | The capabilities on modelling aeroacoustics relevant problems are investigated. |
Impact | A undergraduate project to be summarised. |
Start Year | 2022 |
Description | Durham |
Organisation | Durham University |
Country | United Kingdom |
Sector | Academic/University |
PI Contribution | We have provided software infrastructure for implementing new computational models for understanding fluid flows in bio-inspired applications and more. |
Collaborator Contribution | Our partners have implemented new computational models into the open-source software for the community to use. |
Impact | Simulating a bioinspired liquid diode using a multicomponent lattice Boltzmann model, M. Rennick, J. Meng, and H. Kusumaaatmaja, ParCFD 2022, Alba, Italy |
Start Year | 2021 |
Description | NovelEnergyCOnverter |
Organisation | Cardiff University |
Country | United Kingdom |
Sector | Academic/University |
PI Contribution | HiLeMMS is the software platform chosen for a PhD project where large-scale simulations will be conducted for investigating a novel type of wave energy converter for generating renewable energy. |
Collaborator Contribution | New capabilities are added into the HiLeMMS for modelling free surface flows occurring not only in oceans and rivers but also in many other areas, e.g., manufacturing. |
Impact | Numerical Wave Flume with Lattice Boltzmann Method for Wave Energy Converters, Baoming Guo, Shunqi Pan, Jianping Meng, Dezhi Ning, Cardiff University School of Engineering - Research Conference 2023 |
Start Year | 2022 |
Description | SichuanUniversity |
Organisation | Sichuan University |
Country | China |
Sector | Academic/University |
PI Contribution | Provide training on the HiLeMMS and its backend code developed at DL; Co-supervising master student. |
Collaborator Contribution | Use the HiLeMMS and its backend code of DL to develop/implement models for simulating shallow water flows and multiphase flows. |
Impact | 10.1142/S0129183118500808 |
Start Year | 2016 |
Description | WSP Urban wind flow analysis |
Organisation | WSP Group plc |
Department | WSP UK Ltd |
Country | United Kingdom |
Sector | Private |
PI Contribution | We are using a GPU version of LBM to provide fast unsteady wind analysis over buildings in collaboration with WSP |
Collaborator Contribution | our PhD student Marta Camps Santasmasas has been undertaking a proof-of-concept project with WSP funded by EPSRC Impact Acceleration Account to help transfer some of the GPU LBM work we have done. The project is 5m from November 2019-March 2020. |
Impact | None yet |
Start Year | 2019 |
Title | HiLeMMS |
Description | In this project, we are developing a domain-specific language (DSL) approach for lattice Boltzmann modelling. The purpose is to hide the implementation details from either an end-user or an application developer so that the users can focus on the algorithm and application. The project is split into two phases. In the first phase, we have developed function sequence that will enable the user to combine the provided lattice Boltzmann models (e.g., provided equilibrium functions, boundary conditions and forces terms) to simulate a scientific problem. In the second phase we have proposed and implemented a few key templated objects that can help researchers to write the so-called user-defined function (UDF) and develop their applications easily as well as an experimental python translator for the same purpose. The proposed abstract is released at https://gitlab.com/jpmeng/hilemms, whilst two backend codes (i.e., OPS based and AMReX based) are released at https://github.com/jpmeng/MPLB by DL and https://github.com/otbrown/LAMBReX by EPCC. |
Type Of Technology | Software |
Year Produced | 2020 |
Open Source License? | Yes |
Impact | By developing the high-level abstraction approach, we enable the declarative programming paradigm for the lattice Boltzmann modelling. This will help the communication between domain expert and code developer and ease the code usage. Two backend codes have been publicly released on Github, which can be accessed by the wider community. For the backend code developed at DL, we have attracted a couple of groups to use the code, namely, the State Key Laboratory of Hydraulics and Mountain River Engineering, Sichuan University on environmental research, the University of Edinburgh on additive manufacturing. A group at the University of Durham start to tentatively explore the usage of code. The code had been used for an IROR project of the STFC Hartree Centre. |
URL | https://github.com/inmeso/hilemms |