ARI-MA: Collaborative Research: An Experimental and Computational Study of Actinide Detection and Identification by Engineered Mesoporous Sensor Materials for Actinide Forensics

ARI-MA：合作研究：工程介孔传感器材料用于锕系元素法医检测和鉴定的实验和计算研究目标是开发用于检测和鉴定核处理、后处理和高水平核废料中锕系元素同位素和裂变产物的新材料。通过研究工程介孔材料对锕系元素的鉴定、分离和检测，提出了与锕系元素法医化学相关的实验和计算方案。重点是锕系元素和裂变产物与工程介孔材料的相互作用，将体和界面科学的最新进展结合在一起。该研究的智力优势在于通过计算纳米科学和界面科学为锕系元素和裂变产物的检测、分离和封存提供了新的方法。该提案汇集了纳米材料化学（P. Yang）、锕系化学（H. Nitsche）和相对论量子化学（K. Balasubramanian）的专业知识，最终将更好地理解界面的中尺度复杂性。项目目标包括：设计可选择性分离和识别锕系元素的介孔材料和功能化介孔底物；设计可选择性分离或检测所需锕系元素的介孔材料表面的选择性化学受体位点；设计可选择性分离或检测所需锕系元素氧化态的介孔材料。拟议的工作有望产生几个更广泛的影响。它是跨学科的，因为它包含了广泛的合作实验理论努力，结合了界面化学和设计合适的功能受体，并辅以最先进的相对论计算。该提案通过教育和少数族裔外展努力，促进培养核、材料和计算化学领域跨学科方向的研究生和博士后，以及大学与美国能源部国家实验室的互动。

ARI-MA: Collaborative Research: An Experimental and Computational Study of Actinide Detection and Identification by Engineered Mesoporous Sensor Materials for Actinide ForensicsThe objective is to develop new materials for detection and identification of actinide isotopes and fission products from nuclear processing, reprocessing, and high level nuclear wastes. An experimental and computational project relevant to actinide forensic chemistry through study of actinide identification, separation and detection by engineered mesoporous materials is proposed. The focus is the interaction of actinides and fission products with engineered mesoporous materials of its kind in bringing together recent advances in bulk and interfacial sciences.The intellectual merit of the proposed study is the novel approach to actinide and fission product detection, separation and sequestration through computational nanoscience and interfacial science. The proposal brings together the expertise of nano materials chemistry (P. Yang), actinide chemistry (H. Nitsche) and relativistic quantum chemistry (K. Balasubramanian) and will culminate in a better understanding of mesoscale complexity at interfaces. The project goals include the design of: mesoporous materials and functionalized mesoporous substrates to selectively separate and identify actinides, selective chemical receptor sites on the surface of mesoporous materials that are capable of selectively separating or detecting the desired actinide element, and mesoporous materials with selectivity for the desired oxidation states of the actinides.The proposed work promises to have several broader impacts. It is interdisciplinary as it encompasses broad collaborative experimental-theory efforts that combine interfacial chemistry and the design of suitable functional receptors assisted by state-of-the-art relativistic computations. The proposal promotes the training of graduate students and postdoctoral students with interdisciplinary orientation in nuclear, materials and computational chemistry as well as university-DOE National lab interactions through educational and minority outreach efforts.