A computing framework for Discrete Multiphysics

学科跳跃奖支持研究人员愿意开发新的技能和合作，从信息通信技术到其他学科，反之亦然。在这种情况下，Alexiadis博士，化学工程研究员，旨在将计算机科学的观点带到他的学科。该提案围绕离散多物理场的计算机实现。2015年，该倡议者发表了关于离散多物理场的开创性论文：一种可用于复杂系统计算机模拟的数学建模技术。离散多物理场相对于传统多物理场有几个优势。许多情况下，是非常困难的或不可能的传统多物理场成为顺从时，处理离散多物理场。实例是导致颗粒破碎和溶解的固液流，或导致相变和凝聚/凝结的流。鉴于这些特点，离散多物理场已迅速确立了自己在学术界，目前正在使用的许多科学家在世界各地（详情请参见影响摘要），涉及医药、能源、军事应用等多个领域（与美国海军合作）甚至太空旅行然而，离散多物理场的快速发展提出了新的挑战。目前，离散多物理场已经通过在特定问题的基础上编写内部软件来实现。然而，随着对离散多物理场的兴趣的增长，超越特定情况的计算机实现并产生可由其他研究小组有效使用的软件的需求变得迫切需要。需要更高的软件工程技能，Alexiadis博士希望在计算工程科学中心的Moulitsas博士和Philippe博士的帮助和支持下，克兰菲尔德大学。在方法上，建议书的目标将通过研究目标和学习目标的结合来实现。研究目标是实践活动，Alexiadis博士和Moulitsas博士将共同努力，在名为LAMMPS的开源代码中实现特定的离散多物理场功能。学习目标是旨在解锁特定知识并为下一个研究目标奠定基础的学习活动。

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.