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Understanding phase transitions in carbonates by investigation of their lattice dynamics by thermal diffuse scattering, high resolution inelastic x-ray scattering, microcalorimetry and density functional theory calculations

Understanding phase transitions in carbonates by investigation of their lattice dynamics by thermal diffuse scattering, high resolution inelastic x-ray scattering, microcalorimetry and density functional theory calculations
通过热漫散射、高分辨率非弹性 X 射线散射、微量热法和密度泛函理论计算研究碳酸盐的晶格动力学,了解碳酸盐的相变
批准号:
258770031
负责人:
Professor Dr. Björn Winkler
金额:
$0.0万
依托单位:
依托单位国家:
德国
项目类别:
Research Grants
财政年份:
2014
资助国家:
德国
项目状态:
已结题
起止时间:
2013-12-31 至 2019-12-31

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中文摘要
翻译
碳酸盐ACO3的(压力,温度)相图通常是复杂的,其中A = Mg2+, ca2 +, Fe2+, Sr2+。这种复杂性部分是由于CO32-基团在高温下可能变得动态无序。然而,CO32-基团的动态失序作用仅在caco3 -方解石中进行了研究,结果尚无定论。对其他碳酸盐岩的动态失序知之甚少。在这里,我们提出通过高分辨率非弹性x射线散射、热漫射散射、微量热法和基于互补密度泛函数理论的模型计算来研究ACO3碳酸盐的晶格动力学和热力学。实验研究将涵盖一个大的成分、温度和压力范围。在环境压力下,将研究直至分解温度的无序性。为了研究在高压和高温下的行为,将采用外部加热的金刚石砧细胞达到Pmax = 20 GPa, Tmax = 800 K。对于高压甚至更高温度(Tmax < 2.000 K)的研究,将采用新开发的紧凑型激光加热系统。这项研究的结果将是对相图和相变的拓扑结构的更深入的理解,以及对早期结果的相互矛盾的解释的解决。这些发现可能会转移到相关的系统,如NaNO3。
英文摘要
The (pressure, temperature)-phase diagrams of carbonates ACO3, where A = Mg2+, Ca 2+, Fe2+, Sr2+ are often complex. This complexity is, in part, due to the possibility of the CO32--groups to become dynamically disordered at high temperatures. However, the role of dynamic disorder of the CO32- groups has only been investigated in CaCO3-calcite and the findings were inconclusive. Little is known about dynamic disorder in the other carbonates. Here, we propose to study the lattice dynamics and thermodynamics of ACO3 carbonates by high resolution inelastic x-ray scattering, by thermal diffuse scattering, by microcalorimetry and by complementary density functional theory based model calculations. The experimental studies will cover a large composition-, temperature andpressure-range. At ambient pressure, the disorder will be studied up to the decompositiontemperatures. In order to investigate the behavior at high pressure and high temperature, externally heated diamond anvil cells will be employed to reach Pmax = 20 GPa with Tmax = 800 K. For studies at high pressures and even higher temperatures (with Tmax < 2.000 K), a newly developed compact laser-heating system will be employed. The results of the study will be a deeper understanding of the topology of phase diagrams and phase transitions and the resolution of conflicting interpretations of earlier results. The findings will likely be transferable to related systems such as NaNO3.
期刊论文(4)
专著(0)
科研奖励(0)
会议论文
DOI: 10.1103/physrevb.99.054101
发表时间: 2019-02
期刊: Physical Review B
影响因子: 3.7
作者: [M. Stekiel;A. Girard;T. Nguyen-Thanh;A. Bosak;V. Milman;B. Winkler]
通讯作者: M. Stekiel;A. Girard;T. Nguyen-Thanh;A. Bosak;V. Milman;B. Winkler
DOI: 10.1016/j.pepi.2017.08.004
发表时间: 2017-10
期刊: Physics of the Earth and Planetary Interiors
影响因子: 2.3
作者: [M. Stekiel;T. Nguyen-Thanh;S. Chariton;Catherine;McCammon;A. Bosak;W. Morgenroth;V. Milman;Keith;Refson;B. Winkler]
通讯作者: M. Stekiel;T. Nguyen-Thanh;S. Chariton;Catherine;McCammon;A. Bosak;W. Morgenroth;V. Milman;Keith;Refson;B. Winkler
DOI: 10.1016/j.pepi.2019.106403
发表时间: 2020
期刊: Physics of the Earth and Planetary Interiors
影响因子: 2.3
作者: [Binck J, Chariton S, Stekiel M, Bayarjargal L, Morgenroth W, Milman V, Dubrovinsky L, Winkler B]
通讯作者: Winkler B
Structural, elastic and vibrational properties of celestite, SrSO4, from synchrotron x-ray diffraction, thermal diffuse scattering and Raman scattering
来自同步加速器 X 射线衍射、热漫散射和拉曼散射的天青石 SrSO4 的结构、弹性和振动特性
DOI: 10.1088/1361-648x/aaf0ef
发表时间: 2019
期刊: Journal of Physics: Condensed Matter
影响因子: --
作者: [Girard A, Stekiel M, Spahr D, Morgenroth W, Wehinger B, Milman V, Tra Nguyen- Thanh, Mirone A, Minelli A, Paolasini L, Bosak A, Winkler B]
通讯作者: Winkler B
Coordination of the research unit 2125
  • 批准号:
    264057058
  • 项目类别:
    Research Units
  • 资助金额:
    $0.0万
  • 财政年份:
    2015
  • 负责人:
    Professor Dr. Björn Winkler
  • 依托单位:
Formation of Mn2O3 by radioparagenesis from 55Fe2O3
  • 批准号:
    233454910
  • 项目类别:
    Research Grants
  • 资助金额:
    $0.0万
  • 财政年份:
    2012
  • 负责人:
    Professor Dr. Björn Winkler
  • 依托单位:
Struktur-Eigenschaftsbeziehungen von Lithium-Acetat Dihydrat
  • 批准号:
    110161071
  • 项目类别:
    Research Grants
  • 资助金额:
    $0.0万
  • 财政年份:
    2009
  • 负责人:
    Professor Dr. Björn Winkler
  • 依托单位:
国内基金
海外基金
Baryogenesis, Dark Matter and Nanohertz Gravitational Waves from a Dark Supercooled Phase Transition
  • 批准号:
    24ZR1429700
  • 项目类别:
    省市级项目
  • 资助金额:
    --
  • 批准年份:
    2024
  • 负责人:
    YUICHIRO NAKAI
  • 依托单位:
含Re、Ru先进镍基单晶高温合金中TCP相成核—生长机理的原位动态研究
  • 批准号:
    52301178
  • 项目类别:
    青年科学基金项目
  • 资助金额:
    30.00万元
  • 批准年份:
    2023
  • 负责人:
    夏万顺
  • 依托单位:
均相液相生物芯片检测系统的构建及其在癌症早期诊断上的应用
  • 批准号:
    82372089
  • 项目类别:
    面上项目
  • 资助金额:
    48.00万元
  • 批准年份:
    2023
  • 负责人:
    李万万
  • 依托单位:
PCBP1和PCBP2调控cGAS的相变和酶活的机制研究
  • 批准号:
    32370928
  • 项目类别:
    面上项目
  • 资助金额:
    50.00万元
  • 批准年份:
    2023
  • 负责人:
    孙钦秒
  • 依托单位: