PIRE: Computationally-Based Imaging of Structure in Materials (CuBISM)

主要研究者：Kenneth Shull（西北大学）co-PI：Francesca Casadio（芝加哥艺术学院）奥利弗Cossairt（西北大学）Aggelos Katsaggelos（西北大学）Marc Walton（西北大学）非技术摘要：历史艺术品提供了一系列自然老化数十年甚至数百年的材料。 除了这些材料的内在档案价值外，它们也是了解长期财产退化的模型。 该项目旨在开发所需的计算和实验工具，以了解这些变化是如何发生的。为了完成这一任务，西北大学与荷兰国家科学院和阿姆斯特丹大学、意大利国家研究理事会和法国太阳同步加速器的文化遗产科学领导者建立了一个研究网络。这一新的基础设施有望为不同的用户群体提供大量的研究和教育资源（网络、伙伴关系和更多的设施和仪器）。 该项目的核心艺术品提供了一系列定义明确的案例研究，用于调查复杂的材料系统，这些材料系统既适用于材料教育，又突破了现有分析工具的极限，从而激发了物理科学广泛领域的工具创新。 这些工具的进一步发展将使艺术品保护者能够更有效地对艺术品的处理做出明智的决定，并更普遍地了解材料的长期退化。 该项目还将为多元化的用户群体显着增强研究和教育基础设施，并将为50名参与者提供有意义的国际研究经验，重点关注职业生涯初期的科学家。此外，科学与艺术之间的联系将向非常广泛的观众展示这两个学科的创造性方面，吸引更具代表性的跨学科人士进入科学领域。 技术摘要：该计划的目的是探测多个长度尺度下的异质材料复合材料的特性，重点是用于创作艺术作品的材料。最大的挑战是了解从纳米到宏观长度尺度的材料结构与视觉外观的耦合，并将这种耦合用作材料特性的探测器。这种耦合将通过将光/物质相互作用纳入计算化学方法来解决，该方法也将被开发以了解材料在长时间内发生的物理化学变化。此信息可用于重建最初创建的对象的外观，并将外观投影到未来。这种方法对艺术保护界来说至关重要，艺术保护界在欧洲开发了先进的研究基础设施，这些研究基础设施在美国是罕见的或不存在的。这些欧洲资源对于完成项目目标至关重要，这些目标是为了更好地理解材料中的化学和物理变化逐渐扭曲其视觉感知的方式。并发展对这些改变途径的机械理解。拟议的PIRE项目将法国、荷兰和意大利的主要文化遗产科学研究所的团队与美国同行整合在一起。虽然这些工具也适用于现代工程材料，但艺术作品的例子提供了更广泛的教育影响。对三个主要国际网站的个人和群体访问相结合，将为学生提供科学和研究的国际视角，同时培养沟通科学在社会中的作用的技能。

PI: Kenneth Shull (Northwestern University)co-PIs: Francesca Casadio (Art Institute of Chicago)Oliver Cossairt (Northwestern University)Aggelos Katsaggelos (Northwestern University)Marc Walton (Northwestern University)Non-Technical Abstract:Historic art objects provide a collection of materials that have been naturally aged for decades or even centuries. In addition to the intrinsic archival value of these materials, they are also models for understanding property degradation over long periods of time. This project aims to develop computational and experimental tools needed to understand how these changes take place. To accomplish this task a research network has been established between Northwestern University and leaders in cultural heritage science from the Rijksmuseum and the University of Amsterdam in the Netherlands, the National Research Council in Italy, and the Synchrotron Soleil in France. This new infrastructure promises to deliver a significant enhancement of research and education resources (networks, partnership and increased access to facilities and instrumentation) to a diverse group of users. The art objects central to the project provide a series of well-defined case studies for investigating complex materials systems that are both applicable to materials education and push the limits of the existing analytical tools, thus inspiring instrumental innovations across broad sectors of the physical sciences. Further development of these tools will enable art conservators to more effectively make informed decisions about treatments of works of art, and to understand long-term materials degradation more generally. The project will also deliver a significant enhancement of research and education infrastructure by a diverse group of users and will provide meaningful, international research experience to 50 participants, with a strong emphasis on scientists at the beginning of their careers. In addition, the connections between science and art will illustrate the creative aspects of both disciplines to a very broad audience, attracting a more representative cross section of people into science. Technical Abstract:The purpose of the proposed program is to probe the properties of heterogeneous material composites at multiple length scales, with a focus on the materials used in creating works of art. The grand challenge is to understand the coupling of material structures from nano- to macro- length scales to the visual appearance, and to use this coupling as a probe of material properties. This coupling will be addressed by incorporating light/matter interactions into computational chemistry approaches, which will also be developed to understand the physical-chemical changes that occur in materials over long periods of time. This information can be used to reconstruct the appearance of an object as originally created, and project the appearance into the future. This methodology is of primary importance to the art conservation community, which has developed advanced research infrastructures in Europe that are rare or nonexistent in the U.S. These European resources are essential for the completion of the project goals, which are to provide a greater understanding of the way in which chemical and physical changes within a material gradually distort its visual perception, and to develop a mechanistic understanding of these alteration pathways. The proposed PIRE project integrates teams from leading cultural heritage science institutes in France, the Netherlands and Italy with their American Counterparts. While the tools will be applicable to modern engineered materials as well, examples from art provide a much broader educational impact. A combination of individual and cohort visits to the three primary international sites will provide students with an international perspective on science and research, while building skills in communicating the role of science in society.