Web-based front-end design and scientific computing for material stress simulation software

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Lin, Tien-Ju
Pradalier, Cédric
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A precise simulation requires a large amount of input data such as geometrical descriptions of the crystal structure, the external forces and loads, and quantitative properties of the material. Although some powerful applications already exist for research purposes, they are not widely used in education due to complex structure and unintuitive operation. To cater to the generic user base, a front-end application for material simulation software is introduced. With a graphic interface, it provides a more efficient way to conduct the simulation and to educate students who want to enlarge knowledge in relevant fields. We first discuss how we explore the solution for the front-end application and how to develop it on top of the material simulation software developed by mechanical engineering lab from Georgia Tech Lorraine. The user interface design, the functionality and the whole user experience are primary factors determining the product success or failure. This material simulation software helps researchers resolve the motion and the interactions of a large ensemble of dislocations for single or multi-layered 3D materials. However, the algorithm it utilizes is not well optimized and parallelized, so its performance of speedup cannot scale when using more CPUs in the cluster. This problem leads to the second topic on scientific computing, so in this thesis we offer different approaches that attempt to improve the parallelization and optimize the scalability.
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