Collaborative Research: DMREF:Programmable Design, Synthesis, and Forensics of Soft Materials

非技术描述：在我们这个材料有限的世界里，开发新材料是技术进步的基础。目前的材料设计方法依赖于对化学物质和反应的试错探索，以实现目标功能，其中结构-性能关系仅在回顾中确定，效率低得可怜。拟议的研究将通过为概念上的新工艺奠定基础来打破这一现状，在新工艺中，发现的分子代码将指导具有编码的物理特性组合的材料的连续流合成。在软物质设计中实施数字代码将推动新的合成途径，刺激新的物理模型，并促进各种技术的根本转变，包括个性化医疗，软机器人和可持续材料制造。与Ackland艺术博物馆的合作将教育学生材料科学概念与人类历史上不同文化中的艺术之间的联系。在此基础上，参与学生将创建艺术品合并材料科学和艺术。此外，DMREF团队将开发创建（考虑，阅读，阐明假设，分析和解释数据，并考虑下一个实验）方法，让本科生创造性地拥有研究设计和执行，以及建立一个包容性的环境。此外，DMREF团队还将积极招募和支持女性和弱势群体，包括但不限于残疾人和低收入学生。技术说明：本项目将通过整合分子设计代码、自动合成和法医结构分析，开发可编程材料。从结构上编码时间相关属性并从时间响应中追溯解密网络结构是该项目的智力挑战之一。最先进的网络理论和计算机模拟将定义一组代码，包括软材料的组成，结构和时间演变。这些定量描述符将被应用到聚合物网络的人工智能指导材料设计和合成平台中，其中新型在线表征技术和多个反馈回路实现了迭代多目标性能优化。通过架构设计的方法将启动聚合物网络（弹性体，凝胶和热塑性塑料）的可编程合成，并将分子结构中编码的特性进行定制组合。根据材料基因组计划的使命，这项工作将创建一个人工智能驱动的平台，具有多个嵌入式反馈回路和一个开源的大数据搜索引擎，使材料设计，合成和取证成为可能。该项目由NSF数学和物理科学（MPS）材料研究（DMR）和化学（CHE）部门共同资助，通过设计材料来革命和工程我们的未来（DMREF）计划，DMR聚合物（POL）计划，MPS多学科活动办公室（MPS/OMA）该奖项反映了NSF的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。

Non-technical Description: In our materials-limited world, developing new materials is the foundation of technological progress. The current approach to materials design relies on trial-and-error exploration of chemicals and reactions to achieve a target function where structure–property relationships are identified only in retrospect is woefully inefficient. The proposed research will disrupt this status quo by developing a foundation for conceptually new processes, where discovered molecular codes will instruct the continuous flow synthesis of materials with encoded combinations of physical properties. Implementing digital codes in soft matter design will drive new synthetic pathways, stimulate new physical models, and catalyze fundamental shifts in various technologies, including personalized medicine, soft robotics, and sustainable materials fabrication. Collaboration with the Ackland Museum of Art will educate students on the connection between Materials Science concepts and Art in different cultures across human history. Building on this knowledge, participating students will create artwork merging Materials Science and Art. In addition, the DMREF team will develop the CREATE (Consider, Read, Elucidate the hypothesis, Analyze and interpret data, and Think of the next Experiment) method to give undergraduate students creative ownership of the research design and execution, as well as build an inclusive environment. This DMREF team also proposes to actively recruit and support women and underrepresented groups, including but not limited to people with disabilities and low-income students.Technical Description: The project will pursue the development of programmable materials by integrating molecular design codes, automated synthesis, and forensic structural analysis. Structurally encoding time-dependent properties and retroactively deciphering network structure from the temporal response represents one of the intellectual challenges of the project. State-of-the-art network theory and computer simulations will define a set of codes that encompass the composition, architecture, and temporal evolution of soft materials. These quantitative descriptors will be implemented into Artificial Intelligence-guided materials design and synthesis platforms for polymer networks, wherein novel in-line characterization techniques and multiple feedback loops enable iterative multi-objective property optimization. The design-by-architecture approach will launch the programmable synthesis of polymer networks (elastomers, gels, and thermoplastics) with tailored combinations of properties encoded in molecular structure. In line with the Materials Genome Initiative mission, this effort will create an Artificial Intelligence-driven platform with multiple embedded feedback loops and an open-source Big Data search engine that enable materials design, synthesis, and forensics. This project is co-funded by the NSF Mathematical and Physical Sciences (MPS) Divisions of Materials Research (DMR) and Chemistry (CHE) through the Designing Materials to Revolutionize and Engineer our Future (DMREF) program, the DMR Polymers (POL) Program, and the MPS Office of Multidisciplinary Activities (MPS/OMA).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.