Atomic scale diffusion dynamics of hydrogen in deep-Earth minerals by pulsed neutron scattering

通过脉冲中子散射研究地球深部矿物中氢的原子尺度扩散动力学

• 批准号: 17F17331
• 负责人: 奥地 拓生
• 金额: $ 1.47万
• 依托单位: Okayama University
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for JSPS Fellows
• 财政年份: 2017
• 资助国家: 日本
• 起止时间: 2017-11-10 至 2020-03-31
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/en/grant/KAKENHI-PROJECT-17F17331/
• 关键词: neutron scattering; hydrogen dynamics; crystal structure; DHMS Phase E; hydrous bridgmanite; DHMS phase E; 単結晶中性子回折; 中性子準弾性散乱; hydrous ringwoodite

The research achevements in this year consisted of two series of neutron scattering experimental results, which are quasielastic neutron scattering (QENS) and single crystal neutron diffraction (SCND). The QENS analysis of hydrogen in dense hydrous magnesium silicate (DHMS) phase E was conducted at BL2 at MLF, J-PARC. Atomic-scale diffusion dynamics of hydrogen was successfully determined as a function of temperature up to 530 K. The SCND measurement of a fully-deuterated DHMS phase E crystal was conducted at BL12 at Spallation Neutron Source, Oak Ridge National Laboratory in last year. This year, by systematically analyzing the obtained diffraction dataset, we fully resolved its crystal structure with very high resolution in space (dmin =0.5). The site position of deuterium, its chemical bonding geometry, as well as its incorporation mechanism into the crystal structure were deterimned and published. We made a few presentations in domestic and international meetings to present the described results and progress.

今年的研究成果包括准弹性中子散射（QENS）和单晶中子衍射（SCND）两个系列的中子散射实验成果。对致密水合硅酸镁 (DHMS) E 相中氢的 QENS 分析在 J-PARC MLF 的 BL2 进行。氢的原子尺度扩散动力学已成功确定为温度高达 530 K 的函数。去年，在橡树岭国家实验室散裂中子源的 BL12 上对全氘化 DHMS E 相晶体进行了 SCND 测量。今年，通过对获得的衍射数据集进行系统分析，我们以极高的空间分辨率（dmin =0.5）全面解析了其晶体结构。氘的位点位置、其化学键几何形状以及其在晶体结构中的结合机制均已确定并发表。我们在国内和国际会议上做了一些演讲，展示了所描述的成果和进展。

项目成果

Strong hydrogen bonding in a dense hydrous magnesium silicate discovered by neutron Laue diffraction

• DOI: 10.1107/s2052252520003036
• 发表时间: 2020-04
• 期刊: IUCrJ
• 影响因子: 3.9
• 作者: N. Purevjav;T. Okuchi;C. Hoffmann

パルス中性子を使った地球深部水素の単結晶構造解析とダイナミクス解析

利用脉冲中子进行地球深部氢的单晶结构分析和动力学分析

• 发表时间: 2019
• 作者: N. Purevjav;T. Okuchi;C. Hoffmann;奥地拓生
• 通讯作者: 奥地拓生

オークリッジ国立研究所(米国)

橡树岭国家实验室（美国）

Storage mechanisms of water into ringwoodite

尖晶橄榄石中水的储存机制

• 发表时间: 2018
• 作者: N. Purevjav;T. Okuchi;N. Tomioka;X. Wang;C. Hoffmann
• 通讯作者: C. Hoffmann

Single crystal neutron diffraction study of dense hydrous magnesium silicate phase E

致密水合硅酸镁E相的单晶中子衍射研究

• 发表时间: 2018
• 作者: N. Purevjav;T. Okuchi;Y. Seto;T. Ohhara;K. Munakata
• 通讯作者: K. Munakata