GOALI: Collaborative Research: Understanding Composition-Structure-Chemical Durability Relationships in Multicomponent Oxide Glasses: Influence of Mixed Network Former Effect

非技术描述：先进的技术玻璃是我们生活中许多领域的关键，尽管玻璃被正确地认为是一种坚固的材料，但由于与水和环境的相互作用，它仍然受到腐蚀，从而限制了这种高度通用材料的功能。因此，对玻璃腐蚀的深入了解与技术玻璃的开发、核废料管理等应用以及开发新型生物材料的工业高度相关。该项目旨在通过实验研究和计算机模拟方法的综合结合，了解控制水溶液中混合玻璃形成物的多组分硅酸盐玻璃腐蚀的基础科学。该项目的成功完成预计将为理解玻璃腐蚀中的成分-结构-性能关系奠定新的基础知识，并对玻璃和包装工业产生切实的影响。通过培养玻璃科学与工程专业的本科生和研究生，美国玻璃/材料科学行业的人才缺口正在缩小。该项目的学生将在康宁公司（一家专门从事技术玻璃材料的公司）或欧洲的研究环境中接受部分培训。除了培养本科和研究生的理工科学生外，这些教育活动还培养了中学生和高中生的兴趣。技术细节：虽然玻璃腐蚀已经研究了很长时间，但它充满了复杂性，使得整体理解变得困难。目前对这一领域的认识主要是基于经验数据，对于适用于广泛成分空间的玻璃溶解的基本机理还没有完全的共识。因此，迫切需要对玻璃的化学成分、原子/分子结构和化学耐久性之间的联系建立坚实的基础理解，以解决关键的和具有科学挑战性的问题。因此，该项目旨在结合实验研究和原子计算机模拟的优势，了解由多种网络形成氧化物（B2O3, Al2O3, P2O5）组成的富含sio2的多组分氧化玻璃的组成，分子结构和溶解行为之间的联系。对硅酸盐系统的普遍关注有助于与现实世界的多组分玻璃联系起来，并为（一些）已知的结构趋势提供了一个合适的平台，以与耐久性性能联系起来。该项目预计将揭示控制玻璃腐蚀的基础科学，并提供实验数据以及结构描述符和能量函数，这些数据可用于开发预测玻璃化学耐久性的理论模型。

NON-TECHNICAL DESCRIPTION: Advanced technical glasses are key in many areas of our lives, and although glass is rightly perceived as a robust material, it is nevertheless subject to corrosion due to interaction with water and the environment thereby limiting the functionality of this highly versatile material. A deeper understanding of glass corrosion is thus highly relevant to industry in the development of technical glasses, in enabling applications such as nuclear waste management, and in developing novel biomaterials. This project aims at understanding the fundamental science governing corrosion of multicomponent silicate glasses with mixed glass formers in aqueous solutions, achieved through an integrated combination of experimental studies and computer simulation approaches. Successful completion of this project is expected to lay the foundation of new fundamental knowledge for the understanding of composition-structure-property relationships in glass corrosion, with tangible implications on the glass and packaging industries. By training undergraduate and graduate students in glass science and engineering, the lacuna of talent in the pipeline for the US glass/materials science industry is being reduced. Students in this project are receiving part of their training at Corning, Incorporated, a company specializing in technical glass materials, or in a European research environment. The education activities build interest in students at the middle and high school level, in addition to the training of undergraduate and graduate science and engineering students.TECHNICAL DETAILS: While glass corrosion has been studied for a long time, it is riddled with complexity that makes a holistic understanding deceptively difficult. The current understanding in this field is based primarily on empirical data, and there is still no complete consensus on the basic mechanism of glass dissolution that applies to a wide composition space. Therefore, there is exigent need to develop solid fundamental understanding of the connection between chemical composition, atomic/molecular structure and chemical durability of glasses in order to address crucial and scientifically challenging problems. Accordingly, the project aims at combining the strengths of experimental studies and atomistic computer simulations to understand the connection between composition, molecular structure, and dissolution behavior of SiO2-rich multicomponent oxide glasses comprising multiple network forming oxides (B2O3, Al2O3, P2O5). The general focus on silicate systems helps to connect with real-world multicomponent glasses, and provides a suitable platform for (some) known structural trends to connect with durability properties. The project is expected to unearth the fundamental science governing the corrosion of glasses and deliver experimental data along with structural descriptors and energy functions that can be used to develop theoretical models predicting the chemical durability of glasses.