Elements: Software: NSCI: A Quantum Electromagnetics Simulation Toolbox (QuEST) for Active Heterogeneous Media by Design

要素：软件：NSCI：用于主动异质介质设计的量子电磁仿真工具箱 (QuEST)

基本信息

批准号：
1835267
负责人：
Carlo Piermarocchi
金额：
$ 56.33万
依托单位：
Michigan State University
依托单位国家：
美国
项目类别：
Standard Grant
财政年份：
2018
资助国家：
美国
起止时间：
2018-09-15 至 2023-08-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=1835267&HistoricalAwards=false
关键词：
Elements Software NSCI Quantum Electromagnetics

项目摘要

Designing novel optical materials with enhanced properties would impact many areas of science and technology, leading to new lasers, better components for photonics, and to a deeper understanding of how light interacts with matter. This project will develop software that simulates how light would propagate in yet to be made complex optical materials. The final product will be a software toolbox that computes the dynamics of each individual light emitter in the materials rather than calculating an average macroscopic field. This toolbox will permit the engineering and optimization of optical properties by combining heterogeneous components at the nanoscale. The software will be disseminated widely to enable scientists worldwide to conduct research on this area and will provide a blueprint for broader applications to magnetic materials and ultrasound acoustics. Two graduate students will be engaged in this research and will be trained in interdisciplinary topics encompassing fundamental physics, mathematics, materials science, and software engineering.Three innovative modules will be implemented and tested in the software toolbox: (i) A module based on Time Domain Accelerated Integrated Methods. These methods rely on the separation into near field and far field terms in the interaction between optically active centers and introduce a hierarchical structure that can be computationally exploited. This module will dramatically reduce computational costs, leading to simulations of realistic systems with millions of optical emitters. (ii) A stochastic optimization module that maximizes materials functionalities based on geometrical and compositional distribution of the emitters in the medium. This optimization module will simulate in parallel several virtual samples and will guide the computational effort towards optimal materials. (iii) A rationalized representation of electromagnetic field localization based on the novel mathematical concept of landscape functions, which effectively reduces the eigenvalue problem associated to localization into a static boundary condition problem. This computationally efficient approach provides approximated eigenvalues and quickly identifies the sub-regions of the system that support electromagnetic field localization.This project is supported by the Office of Advanced Cyberinfrastructure in the Directorate for Computer & Information Science & Engineering and the Division of Materials Research in the Directorate of Mathematical and Physical Sciences.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

设计具有增强特性的新型光学材料将影响许多科学技术领域，从而导致新的激光，更好的光子学组成部分，并更深入地了解光与物质的相互作用。该项目将开发软件，以模拟如何在尚未成为复杂的光学材料中传播光线。最终产品将是一个软件工具箱，该工具箱可以计算材料中每个单个光发射器的动力学，而不是计算平均宏观场。该工具箱将通过在纳米级的异质组件组合使用异质组件来进行工程和优化光学性能。该软件将被广泛传播，以使全世界的科学家能够对该领域进行研究，并将为磁性材料和超声声学的更广泛应用提供蓝图。两名研究生将从事这项研究，并将接受跨学科主题的培训，其中包括基本物理，数学，材料科学和软件工程。将在软件工具箱中实施和测试三个创新的模块：（i）基于时域基于时域的模块。这些方法依赖于光学活动中心之间相互作用的近场和远场项的分离，并引入了可以在计算上利用的层次结构。该模块将大大降低计算成本，从而导致对数百万光学发射器的现实系统的模拟。（ii）一个随机优化模块，该模块基于介质中发射器的几何和组成分布最大化材料功能。该优化模块将在几个虚拟样本中并行模拟，并将指导计算工作量实现最佳材料。（iii）基于景观功能的新数学概念的电磁场定位的合理表示，这有效地减少了与定位到静态边界条件问题相关的特征值问题。这种计算高效的方法提供了近似的特征值，并迅速识别了支持电磁场本地化的系统的子区域。该项目得到了计算机与信息科学与工程局的高级网络基础设施办公室的支持，并在数学和物理科学的材料研究局中得到了数学和物理研究局。基金会的智力优点和更广泛的影响审查标准。