A computing framework for Discrete Multiphysics

离散多物理场计算框架

• 批准号: EP/S019227/1
• 负责人: Alessio Alexiadis
• 金额: $ 18.96万
• 依托单位: University of Birmingham
• 依托单位国家: 英国
• 项目类别: Research Grant
• 财政年份: 2019
• 资助国家: 英国
• 起止时间: 2019 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=EP%2FS019227%2F1
• 关键词: computing; framework; Discrete; Multiphysics

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.

纪律跳跃奖支持愿意发展从ICT到其他学科的新技能和合作的研究人员，反之亦然。在这种情况下，化学工程研究人员Alexiadis博士旨在将计算机科学的观点带入他的学科。该提案围绕离散多物理学的计算机实施。在2015年，支持者发表了有关离散多物理学的开创性论文：一种数学建模技术，可用于复杂系统的计算机模拟。DiscreteMultiphysics在传统多物理学方面具有多个优势。当通过离散多物理学解决时，许多非常困难或不可能的情况变得非常困难。示例是说明粒子分裂和溶解的固定流量，或者说明相变和聚集/凝结的流动。鉴于这些功能，离散的多物理学迅速建立在院区社区中，目前已被世界各地的许多科学家使用（有关详细信息，请参见Impact摘要），这些领域包括医学，能源，军事，申请（与美国海军合作）甚至太空旅行（与NASA的研究人员合作，在NASA的迅速发展中）。目前，通过以特定问题为特定的内部软件来实现离散的多物理学。 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将通过研究目标和学习目标的结合来实现目标。研究目标是动手活动，Alexiadis博士和Moulitsas博士将在称为LAMMPS的开源代码中共同实施特定的离散多物理功能。学习目标是旨在解锁特定知识并为下一个研究目标做好基础的学习活动。

项目成果

The Effect of Biorelevant Hydrodynamic Conditions on Drug Dissolution from Extended-Release Tablets in the Dynamic Colon Model.

• DOI: 10.3390/pharmaceutics14102193
• 发表时间: 2022-10-14
• 期刊: PHARMACEUTICS
• 影响因子: 5.4
• 作者: O'Farrell, Connor;Simmons, Mark J. H.;Batchelor, Hannah K.;Stamatopoulos, Konstantinos
• 通讯作者: Stamatopoulos, Konstantinos

The virtual physiological human gets nerves! How to account for the action of the nervous system in multiphysics simulations of human organs.

• DOI: 10.1098/rsif.2020.1024
• 发表时间: 2021-04
• 期刊: Journal of the Royal Society, Interface
• 作者: Alexiadis A;Simmons MJH;Stamatopoulos K;Batchelor HK;Moulitsas I
• 通讯作者: Moulitsas I

The duality between particle methods and artificial neural networks.

• DOI: 10.1038/s41598-020-73329-0
• 发表时间: 2020-10-01
• 期刊: Scientific reports
• 影响因子: 4.6
• 作者: Alexiadis A;Simmons MJH;Stamatopoulos K;Batchelor HK;Moulitsas I
• 通讯作者: Moulitsas I

Development of a digital twin of a tablet that mimics a real solid dosage form: Differences in the dissolution profile in conventional mini-USP II and a biorelevant colon model

• DOI: 10.1016/j.ejps.2022.106310
• 发表时间: 2022-10-21
• 期刊: EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES
• 影响因子: 4.6
• 作者: Schuett, M.;Stamatopoulos, K.;Alexiadis, A.
• 通讯作者: Alexiadis, A.

Simulation of pandemics in real cities: enhanced and accurate digital laboratories.

• DOI: 10.1098/rspa.2020.0653
• 发表时间: 2021-01
• 期刊: Proceedings. Mathematical, physical, and engineering sciences
• 作者: Alexiadis A;Albano A;Rahmat A;Yildiz M;Kefal A;Ozbulut M;Bakirci N;Garzón-Alvarado DA;Duque-Daza CA;Eslava-Schmalbach JH
• 通讯作者: Eslava-Schmalbach JH