EAPSI: Evaluating the Melting and Vibrational Properties of Phase H as a Function of Pressure

EAPSI:评估 H 相的熔融和振动特性与压力的函数关系

基本信息

  • 批准号:
    1612833
  • 负责人:
  • 金额:
    $ 0.04万
  • 依托单位:
  • 依托单位国家:
    美国
  • 项目类别:
    Fellowship Award
  • 财政年份:
    2016
  • 资助国家:
    美国
  • 起止时间:
    2016-06-01 至 2017-05-31
  • 项目状态:
    已结题

项目摘要

Forty years of scientific literature on the topic has produced wildly variable estimates of the water content within the deep Earth--with values ranging from a quarter to four times the volume of water found in Earth's oceans. The recent discovery of hydrous 'phase H' (MgSiO4H2) provides a new insight into the distribution of water in the Earth's interior. Determining the stability of hydrous phases such as phase H aids in constraining the quantity of water in the lower mantle, a region of the Earth almost 100 times more massive than the crust. The formation of phase H was first predicted in a computational study by Dr. Jun Tsuchiya of the Geodynamics Research Center (GRC) at the University of Ehime, Japan. Dr. Tsuchiya will lend her expertise using first-principles techniques to study high-pressure hydrous phases to this project and the GRC will provide use of a supercomputer that will enable the timely completion of this project.This proposal aims to provide critical insight into the deep Earth's hydrogen budget via three ab initio investigations into key hydrous mantle phases: (1) modeling the melting behavior of phase H as a function of pressure, (2) modeling the melting curve of d-AlOOH, and (3) first-principles calculations of the vibrational properties of phase H as a function of pressure. The melting curves of phase H and d-AlOOH will be determined using a first principles molecular dynamics technique. This type of calculation enables the determination of thermodynamic properties by numerically modeling the interatomic potentials between particles in the system of interest. Vibrational properties of phase H will be calculated using first-principles calculations based on a generalized gradient approximation to the exchange-correlation functional. These calculations are complementary to the principal investigator?s experimental efforts to investigate hydrous phases under extreme conditions and will help constrain the water budget of the Earth's deep interior.This award under the East Asia and Pacific Summer Institutes program supports summer research by a U.S. graduate student and is jointly funded by NSF and the Japan Society for the Promotion of Science.
四十年来有关这一主题的科学文献对地球深处的水含量做出了千差万别的估计--其值从地球海洋中发现的水量的四分之一到四倍不等。最近发现的含水“H相”(MgSiO4H2)为了解地球内部水的分布提供了新的见解。确定H相等含水相的稳定性有助于限制下地幔中的水的数量,而下地幔是地球上一个质量几乎是地壳100倍的区域。H相的形成最初是由日本爱慕大学地球动力学研究中心(GRC)的土屋纯博士进行的一项计算研究预测的。土屋博士将利用第一性原理技术为这个项目提供研究高压水合相的专业知识,GRC将提供一台超级计算机,使这个项目能够及时完成。这项提议旨在通过对关键的含水地幔相的三个从头算研究,提供对地球深层氢收支的重要洞察:(1)模拟H相的熔融行为作为压力的函数,(2)模拟d-AlOOH的熔化曲线,以及(3)第一性原理计算H相的振动性质作为压力的函数。用第一性原理分子动力学技术测定了H相和d-AlOOH相的熔融曲线。这种类型的计算能够通过对感兴趣的系统中的粒子之间的原子间势进行数值建模来确定热力学性质。H相的振动性质将使用基于交换关联泛函的广义梯度近似的第一性原理计算。这些计算是对首席研究员S在极端条件下研究含水相的实验努力的补充,将有助于限制地球深部的水资源预算。东亚和太平洋夏季学院计划下的这个奖项支持一名美国研究生的夏季研究,由美国国家科学基金会和日本科学促进会共同资助。

项目成果

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Elizabeth Thompson其他文献

Quasi-experimental retrospective study: Effects of formal math study skills instruction on remedial college math achievement
准实验回顾性研究:正规数学学习技能指导对大学数学补习成绩的影响
  • DOI:
  • 发表时间:
    2007
  • 期刊:
  • 影响因子:
    0
  • 作者:
    A. Bogardus;A. Bogardus;Elena;Kimberly D Blum;Heath Boice‐Pardee;Elizabeth Thompson;Kimberly D Blum Date
  • 通讯作者:
    Kimberly D Blum Date
CRT-500.04 Lower Wall Shear Stress and Clinical Risk Factors are Associated with Endothelial Dysfunction in Patients with Non-Obstructive Coronary Artery Disease
  • DOI:
    10.1016/j.jcin.2018.01.131
  • 发表时间:
    2018-02-26
  • 期刊:
  • 影响因子:
  • 作者:
    Arnav Kumar;Olivia Y. Hung;Parham Eshtehardi;Elizabeth Thompson;David Sternheim;Sonu Gupta;Karthic Chandran;David S. Molony;Marina Piccinelli;Adrien Lefieux;Michel T. Corban;Michael C. McDaniel;Arshed A. Quyyumi;Bill D. Gogas;Don P. Giddens;Alessandro Veneziani;Habib Samady
  • 通讯作者:
    Habib Samady
CMR 2-54 - Automated Cmr-based Measurements Are Predictive of Pulmonic Valve Replacement in Repaired Tetralogy of Fallot
CMR 2-54 - 基于 CMR 的自动化测量可预测法洛四联症修复术后的肺动脉瓣置换
  • DOI:
    10.1016/j.jocmr.2024.100136
  • 发表时间:
    2024-03-01
  • 期刊:
  • 影响因子:
    6.100
  • 作者:
    Elizabeth Thompson;Jin-seo Kim;Abhijit Bhattaru;Phuong Vu;Sophia Swago;Elizabeth Donnelly;Xuemei zhang;Lipika Vuthuri;Kristen Lanzilotta;Annefleur Loth;Kevin Whitehead;Jeffrey Duda;James Gee;Laura Almasy;Elizabeth Goldmuntz;Mark Fogel;Walter Witschey
  • 通讯作者:
    Walter Witschey
Biometrics, JABES and the International Biometric Society
Parallel cuda implementation of conflict detection for application to airspace deconfliction
  • DOI:
    10.1007/s11227-015-1467-z
  • 发表时间:
    2015-07-01
  • 期刊:
  • 影响因子:
    2.700
  • 作者:
    Elizabeth Thompson;Nathan Clem;David A. Peter;John Bryan;Barry I. Peterson;Dave Holbrook
  • 通讯作者:
    Dave Holbrook

Elizabeth Thompson的其他文献

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{{ truncateString('Elizabeth Thompson', 18)}}的其他基金

CAREER: The influence of cation substitution on the hydrous phases of the lower mantle
事业:阳离子取代对下地幔水相的影响
  • 批准号:
    2338444
  • 财政年份:
    2024
  • 资助金额:
    $ 0.04万
  • 项目类别:
    Continuing Grant
EAR-PF: Hydrogen in the Earth's transition zone: Merging experimental and theoretical approaches
EAR-PF:地球过渡带中的氢:实验和理论方法的结合
  • 批准号:
    1725673
  • 财政年份:
    2018
  • 资助金额:
    $ 0.04万
  • 项目类别:
    Fellowship Award
Computational Methods for Inference of Population Parameters
群体参数推断的计算方法
  • 批准号:
    9807747
  • 财政年份:
    1998
  • 资助金额:
    $ 0.04万
  • 项目类别:
    Standard Grant
Computational methodology for the inference of genealogical structure from genetic data.
从遗传数据推断谱系结构的计算方法。
  • 批准号:
    9305835
  • 财政年份:
    1993
  • 资助金额:
    $ 0.04万
  • 项目类别:
    Continuing Grant
CRB: Methods of Genealogical and Genetic Analysis in Conservation Biology
CRB:保护生物学中的谱系学和遗传分析方法
  • 批准号:
    8921839
  • 财政年份:
    1990
  • 资助金额:
    $ 0.04万
  • 项目类别:
    Continuing Grant
Genealogical and Genetic Structure of Small Populations
小群体的谱系和遗传结构
  • 批准号:
    8619760
  • 财政年份:
    1987
  • 资助金额:
    $ 0.04万
  • 项目类别:
    Standard Grant
Acquisition of Mathematical Sciences Research Equipment
数学科学研究设备购置
  • 批准号:
    8604240
  • 财政年份:
    1986
  • 资助金额:
    $ 0.04万
  • 项目类别:
    Standard Grant
Morphology of Identified Synapses
已识别突触的形态
  • 批准号:
    8026837
  • 财政年份:
    1981
  • 资助金额:
    $ 0.04万
  • 项目类别:
    Continuing Grant
Morphology of Identified Synapses
已识别突触的形态
  • 批准号:
    7823611
  • 财政年份:
    1979
  • 资助金额:
    $ 0.04万
  • 项目类别:
    Continuing Grant

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