A computing framework for Discrete Multiphysics
Lead Research Organisation:
University of Birmingham
Department Name: Chemical Engineering
Abstract
The Discipline Hopping Award supports researchers willing to develop new skills and collaborations from ICT to other disciplines or vice versa. In this case, Dr Alexiadis, a researcher in Chemical Engineering, aims at bringing a Computer Science perspective to his discipline. The proposal revolves around the computer implementation of Discrete Multiphysics.
In 2015, the proponent published the seminal paper on Discrete Multiphysics: a mathematical modelling technique that can be used for the computer simulation of complex systems.
Discrete Multiphysics has several advantages with respect to traditional multiphysics. Many cases that are very difficult or impossible for traditional multiphysics become amenable when tackled with Discrete Multiphysics. Examples are solid-liquid flows that account for particle break-up and dissolution, or flows that account for phase-change and agglomeration/clotting.
Given these features, Discrete Multiphysics has quickly established itself in the accademic community and currently is been used by many scientist around the world (see Impact Summary for details) on a variety of fields that include medicine, energy, military applications (in collaboration with the US Navy) and even space travel (in collaboration with researchers at NASA).
The quick development of Discrete Multiphysics, however, poses new challenges. At the moment, Discrete Multiphysics has been implemented by writing in-house software on a problem-specific basis. However, as the interest in Discrete Multiphysics grows, the need for going beyond a case-specific computer implementation and produce software effectively usable by others research groups becomes a pressing necessity.
This goal, however, requires higher skills in software engineering that Dr Alexiadis expects to gain during the Hopping scheme with the help and support of Dr Moulitsas and Dr Filippone at the Centre for Computational Engineering Sciences at Cranfield University.
Methodologically, the proposal objectives will be achieved by means of a combination of Research Objectives and Learning Objectives. Research Objectives are hands-on activities where Dr Alexiadis and Dr Moulitsas will work together to implement specific Discrete Multiphysics features in an Open Source code called LAMMPS. Learning Objectives are learning activities designed to unlock specific knowledge and prepare the ground for the next Research Objectives.
In 2015, the proponent published the seminal paper on Discrete Multiphysics: a mathematical modelling technique that can be used for the computer simulation of complex systems.
Discrete Multiphysics has several advantages with respect to traditional multiphysics. Many cases that are very difficult or impossible for traditional multiphysics become amenable when tackled with Discrete Multiphysics. Examples are solid-liquid flows that account for particle break-up and dissolution, or flows that account for phase-change and agglomeration/clotting.
Given these features, Discrete Multiphysics has quickly established itself in the accademic community and currently is been used by many scientist around the world (see Impact Summary for details) on a variety of fields that include medicine, energy, military applications (in collaboration with the US Navy) and even space travel (in collaboration with researchers at NASA).
The quick development of Discrete Multiphysics, however, poses new challenges. At the moment, Discrete Multiphysics has been implemented by writing in-house software on a problem-specific basis. However, as the interest in Discrete Multiphysics grows, the need for going beyond a case-specific computer implementation and produce software effectively usable by others research groups becomes a pressing necessity.
This goal, however, requires higher skills in software engineering that Dr Alexiadis expects to gain during the Hopping scheme with the help and support of Dr Moulitsas and Dr Filippone at the Centre for Computational Engineering Sciences at Cranfield University.
Methodologically, the proposal objectives will be achieved by means of a combination of Research Objectives and Learning Objectives. Research Objectives are hands-on activities where Dr Alexiadis and Dr Moulitsas will work together to implement specific Discrete Multiphysics features in an Open Source code called LAMMPS. Learning Objectives are learning activities designed to unlock specific knowledge and prepare the ground for the next Research Objectives.
Planned Impact
As mentioned in the Beneficiaries section, the main impact of Discrete Multiphysics, so far, lies in the academic community. However, a reason behind this application is to create the premises for extending this impact to industry.
This has been the evolution of other modelling techniques such as CFD or traditional multiphysics. They originate in academia; spread in the scientific community, where they are applied to a variety of different problems; and, after a critical mass of users is achieved, they are adopted by industry.
From this point of view, the fact that Cranfield University is the 'Hopping partner' of the proposal is an important circumstance. Traditionally, Cranfield University has a strong connection with industry and a large part of its funding comes from industry. Besides the Research and Learning objectives described in the Objectives section, collaboration with Cranfield will also provide links and networking opportunities to disseminate Discrete Multiphisics in applied settings of industrial interest.
This has been the evolution of other modelling techniques such as CFD or traditional multiphysics. They originate in academia; spread in the scientific community, where they are applied to a variety of different problems; and, after a critical mass of users is achieved, they are adopted by industry.
From this point of view, the fact that Cranfield University is the 'Hopping partner' of the proposal is an important circumstance. Traditionally, Cranfield University has a strong connection with industry and a large part of its funding comes from industry. Besides the Research and Learning objectives described in the Objectives section, collaboration with Cranfield will also provide links and networking opportunities to disseminate Discrete Multiphisics in applied settings of industrial interest.
Publications
Alessio Alexiadis
(2019)
Coupling Discrete Multiphysics with Machine Learning for modelling "living" materials
Alexiadis A
(2019)
Deep multiphysics: Coupling discrete multiphysics with machine learning to attain self-learning in-silico models replicating human physiology.
in Artificial intelligence in medicine
Alexiadis A
(2019)
Deep Multiphysics and Particle-Neuron Duality: A Computational Framework Coupling (Discrete) Multiphysics and Deep Learning
in Applied Sciences
Alexiadis A
(2023)
A minimalistic approach to physics-informed machine learning using neighbour lists as physics-optimized convolutions for inverse problems involving particle systems
in Journal of Computational Physics
Alexiadis A
(2021)
The virtual physiological human gets nerves! How to account for the action of the nervous system in multiphysics simulations of human organs.
in Journal of the Royal Society, Interface
Alexiadis A
(2020)
The duality between particle methods and artificial neural networks.
in Scientific reports
Alexiadis A
(2021)
Simulation of pandemics in real cities: enhanced and accurate digital laboratories.
in Proceedings. Mathematical, physical, and engineering sciences
O'Farrell C
(2022)
The Effect of Biorelevant Hydrodynamic Conditions on Drug Dissolution from Extended-Release Tablets in the Dynamic Colon Model
in Pharmaceutics
Description | Coupling of multiphysics models with artificial intelligence to generate models with the ability to 'learn' as the simulations p[progresses |
Exploitation Route | Other researchers can use the same technique for their models. All software is freely available and shared under to GNU licence |
Sectors | Aerospace, Defence and Marine,Healthcare,Manufacturing, including Industrial Biotechology |
Description | The idea of this hopping scheme is to provide advanced programming tools to the PI. These tools have been introduced to his research. In particular MPI programming is a fundamental part of the papers published |
First Year Of Impact | 2019 |
Sector | Healthcare,Manufacturing, including Industrial Biotechology,Pharmaceuticals and Medical Biotechnology |
Description | Dr Shane Usher (joint Birmingham-Melbourne PhD) |
Organisation | University of Melbourne |
Country | Australia |
Sector | Academic/University |
PI Contribution | Modelling expertise in particle agglomeration |
Collaborator Contribution | Experimental Expertise in particle agglomeration |
Impact | joint Birmingham-Melbourne PhD |
Start Year | 2019 |
Description | Joint PhD studentship Birmingham-Nottingham with Dr Alvaro Garcia |
Organisation | University of Nottingham |
Country | United Kingdom |
Sector | Academic/University |
PI Contribution | Expertise in Modelling |
Collaborator Contribution | Expertise in composite materials |
Impact | Joint PhD studentship Birmingham-Nottingham |
Start Year | 2019 |
Title | Code for "The virtual human gets nerves! How to account for the action of the autonomic nervous system in multiphysics simulations of human organs" |
Description | |
Type Of Technology | Software |
Year Produced | 2020 |
URL | http://edata.bham.ac.uk/570/ |
Title | LAMMPS code for "Simulation of Pandemics in Real-cities: Enhanced and Accurate Digital-labs" |
Description | |
Type Of Technology | Software |
Year Produced | 2020 |
URL | http://edata.bham.ac.uk/545/ |
Title | Research data supporting the publication "The duality between particle methods and artificial neural networks" |
Description | |
Type Of Technology | Software |
Year Produced | 2020 |
URL | http://edata.bham.ac.uk/541/ |
Description | The unexpected link among molecules, particles and neurons |
Form Of Engagement Activity | Participation in an activity, workshop or similar |
Part Of Official Scheme? | No |
Geographic Reach | National |
Primary Audience | Other audiences |
Results and Impact | UKFN Special Interest Group (SIG) in Multiscale and Non-Continuum Flows, December 17, 2019 Windermere UK (invited speaker) |
Year(s) Of Engagement Activity | 2019 |