Experimental and theoretical studies of trace species in Earth materials, from mantle geodynamics to environmental applications and mineral exploration

地球材料中痕量物质的实验和理论研究，从地幔地球动力学到环境应用和矿物勘探

• 批准号: RGPIN-2018-04106
• 负责人: Pan, Yuanming
• 金额: $ 2.62万
• 依托单位: University of Saskatchewan
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2020
• 资助国家: 加拿大
• 起止时间: 2020-01-01 至 2021-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=711710
• 关键词: Experimental; theoretical; studies; trace; species

Trace species, such as substitutional or interstitial ions/molecules, vacancies and radiation-induced defects representing incipient radiation damage, in minerals and other Earth materials (e.g., melts and fluids) exert profound impacts on physical properties such as color, density, rheology, stability, electrical and thermal conductivity, magnetism, seismic velocity and many more. Trace species in Earth materials also have wide applications in solid and environmental Earth sciences from geochemical modeling to radiation dosimetry, geochronology, remediation of heavy metal/metalloid contamination, nuclear waste disposal and mineral exploration. The long-term objective of this research program is directed towards quantitative and mechanistic understanding of trace species in Earth materials, with emphasis on their geometric and electronic structures, physical properties, and applications. Scientific approaches include field-based investigations to identify specific trace species important to geological processes or directly relevant to environmental and technological applications. Laboratory experiments are designed to complement field-based research and to provide synthetic materials for spectroscopic studies that are often impossible for natural samples. Trace species in selected minerals and melts are characterized by use of multiple state-of-the-art analytical techniques, such as electron paramagnetic resonance, infrared, Raman, nuclear magnetic resonance and synchrotron X-ray absorption spectroscopy as well as periodic first-principles calculations and first-principles molecular dynamics simulations. Specific objectives for the next funding cycle are: 1) nature of radiation-induced defects in quartz and other silica with applications to mineral exploration, 2) effects of trace species in calcium carbonate minerals and carbonatitic melts from surface to lower-mantle conditions with relevance to environmental applications and mantle geodynamics, and 3) bromine systematics in rock-forming minerals and silicate melts with applications to magmatic-hydrothermal ore deposits. This research program on mechanistic understanding of trace species in Earth materials is unique in Canada and is innovative in exploring the frontiers of both experiments and theories. Also, this research program provides an excellent opportunity for highly qualified personnel (HQP) training in a multidisciplinary environment. The multidisciplinary nature of this research program is demonstrated by the attraction of high-quality HQP with diverse academic backgrounds from chemistry to engineering, geology, geophysics, materials science and physics, in-depth collaborations with chemists, materials scientists and physicists, and our publications in not only Earth science journals but also those in chemistry, materials science and physics.

Trace species, such as substitutional or interstitial ions/molecules, vacancies and radiation-induced defects representing incipient radiation damage, in minerals and other Earth materials (e.g., melts and fluids) exert profound impacts on physical properties such as color, density, rheology, stability, electrical and thermal conductivity, magnetism, seismic velocity and many more.地球材料中的痕量物种在从地球化学建模到辐射剂量测定，年代学，重金属/金属污染，核废料处理和矿物质勘探的固体和环境地球科学中也具有广泛的应用。该研究计划的长期目标是针对地球材料中痕量物种的定量和机械理解，重点是它们的几何和电子结构，物理性质和应用。科学方法包括基于现场的研究，以确定对地质过程重要的特定痕量物种或与环境和技术应用直接相关的。实验室实验旨在补充基于现场的研究，并为光谱研究提供合成材料，而这些研究通常是天然样品不可能的。选定的矿物质和熔体中的痕量物种的特征是使用多种最先进的分析技术，例如电子顺磁共振，红外，拉曼，核磁共振和同步X射线X射线吸收光谱光谱光谱以及周期性的第一原理计算以及第一原则的分子动力学模拟。 Specific objectives for the next funding cycle are: 1) nature of radiation-induced defects in quartz and other silica with applications to mineral exploration, 2) effects of trace species in calcium carbonate minerals and carbonatitic melts from surface to lower-mantle conditions with relevance to environmental applications and mantle geodynamics, and 3) bromine systematics in rock-forming minerals and silicate melts with applications to岩浆 - 水热矿床。这项关于对痕量物种在地球材料中的机械理解的研究计划在加拿大是独一无二的，在探索实验和理论的前沿方面具有创新性。此外，该研究计划为在多学科环境中的高素质人员（HQP）培训提供了绝佳的机会。该研究计划的多学科性质是通过吸引高质量的HQP的吸引，具有从化学到工程学，地质学，地球物理学，材料科学和物理学，与化学家，材料科学家和物理学家以及我们在地球科学杂志上的出版物的出版物，而且在化学方面，材料科学和物理学的出版物。