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Insights into the Core's Structure, Formation and Evolution from First-Principles Calculations
Insights into the Core's Structure, Formation and Evolution from First-Principles Calculations
상세정보
- 자료유형
- 학위논문 서양
- 최종처리일시
- 20260202105058
- ISBN
- 9798288820731
- DDC
- 600
- 저자명
- Liu, Weiyi.
- 서명/저자
- Insights into the Cores Structure, Formation and Evolution from First-Principles Calculations
- 발행사항
- [Sl] : California Institute of Technology, 2025
- 발행사항
- Ann Arbor : ProQuest Dissertations & Theses, 2025
- 형태사항
- 147 p
- 주기사항
- Source: Dissertations Abstracts International, Volume: 87-01, Section: B.
- 주기사항
- Advisor: Asimow, Paul David.
- 학위논문주기
- Thesis (Ph.D.)--California Institute of Technology, 2025.
- 초록/해제
- 요약Understanding the formation, composition, and evolution of planetary cores is essential to unraveling the early history and internal dynamics of terrestrial planets. However, direct constraints on the physical and chemical properties of liquid metal under core-forming conditions remain limited due to the inaccessibility of the core and the challenges of reproducing its extreme pressures and temperatures in the laboratory. This thesis integrates first-principles molecular dynamics(FPMD)simulations with high-pressure experimental data to investigate the thermodynamics, chemical partitioning, and seismic implications of multicomponent metal liquids in the deep interiors of Earth and other differentiated bodies.This thesis focuses on two fundamental properties of the core: its thermodynamic behavior and its chemical interaction with the silicate mantle during differentiation. The first part of the thesis develops a thermodynamic model for multicomponent metallic liquids-including Fe-Ni systems with light elements such as O, S, Si, C, and H-based on FPMD simulations and calibrated against experimental data. This model accurately reproduces pressure-volume-temperature relations and mixing behavior, and is consistent with both diamond anvil cell and shock wave measurements. The model forms the basis for a forward seismic modeling framework that allows direct comparison between core composition and observed density and velocity profiles in Earth's outer core. The second part of the thesis investigates the chemical partitioning of elements that record early planetary formation and evolution-specifically Sm, Nd, I, and Pu-between metal and silicate liquids at high temperatures. Two different approaches are employed to determine the partition coefficients: thermodynamic integration based on first-principles molecular dynamics for Sm and Nd, and two-phase FPMD simulations for I and Pu. With these partitioning behaviors quantified, the study further models core formation processes in differentiated planetesimals and Earth, providing new constraints on the extent of metal-silicate chemical exchange and fresh insights into the isotopic and volatile evolution of planetary mantles.
- 일반주제명
- Metals
- 일반주제명
- Solar system
- 일반주제명
- Magnetic fields
- 일반주제명
- Earth
- 일반주제명
- Heat
- 일반주제명
- Meteors & meteorites
- 일반주제명
- Thermodynamics
- 일반주제명
- Geochemistry
- 일반주제명
- Geophysics
- 일반주제명
- Planetology
- 기타저자
- California Institute of Technology Geological and Planetary Sciences
- 기본자료저록
- Dissertations Abstracts International. 87-01B.
- 전자적 위치 및 접속
- 로그인 후 원문을 볼 수 있습니다.
MARC
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■00520260202105058
■006m o d
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■020 ▼a9798288820731
■035 ▼a(MiAaPQ)AAI32205957
■035 ▼a(MiAaPQ)Caltech17370
■040 ▼aMiAaPQ▼cMiAaPQ
■0820 ▼a600
■1001 ▼aLiu, Weiyi.▼0(orcid)0000-0002-0044-2277
■24510▼aInsights into the Core's Structure, Formation and Evolution from First-Principles Calculations
■260 ▼a[Sl]▼bCalifornia Institute of Technology▼c2025
■260 1▼aAnn Arbor▼bProQuest Dissertations & Theses▼c2025
■300 ▼a147 p
■500 ▼aSource: Dissertations Abstracts International, Volume: 87-01, Section: B.
■500 ▼aAdvisor: Asimow, Paul David.
■5021 ▼aThesis (Ph.D.)--California Institute of Technology, 2025.
■520 ▼aUnderstanding the formation, composition, and evolution of planetary cores is essential to unraveling the early history and internal dynamics of terrestrial planets. However, direct constraints on the physical and chemical properties of liquid metal under core-forming conditions remain limited due to the inaccessibility of the core and the challenges of reproducing its extreme pressures and temperatures in the laboratory. This thesis integrates first-principles molecular dynamics(FPMD)simulations with high-pressure experimental data to investigate the thermodynamics, chemical partitioning, and seismic implications of multicomponent metal liquids in the deep interiors of Earth and other differentiated bodies.This thesis focuses on two fundamental properties of the core: its thermodynamic behavior and its chemical interaction with the silicate mantle during differentiation. The first part of the thesis develops a thermodynamic model for multicomponent metallic liquids-including Fe-Ni systems with light elements such as O, S, Si, C, and H-based on FPMD simulations and calibrated against experimental data. This model accurately reproduces pressure-volume-temperature relations and mixing behavior, and is consistent with both diamond anvil cell and shock wave measurements. The model forms the basis for a forward seismic modeling framework that allows direct comparison between core composition and observed density and velocity profiles in Earth's outer core. The second part of the thesis investigates the chemical partitioning of elements that record early planetary formation and evolution-specifically Sm, Nd, I, and Pu-between metal and silicate liquids at high temperatures. Two different approaches are employed to determine the partition coefficients: thermodynamic integration based on first-principles molecular dynamics for Sm and Nd, and two-phase FPMD simulations for I and Pu. With these partitioning behaviors quantified, the study further models core formation processes in differentiated planetesimals and Earth, providing new constraints on the extent of metal-silicate chemical exchange and fresh insights into the isotopic and volatile evolution of planetary mantles.
■590 ▼aSchool code: 0037.
■650 4▼aMetals
■650 4▼aSolar system
■650 4▼aMagnetic fields
■650 4▼aEarth
■650 4▼aHeat
■650 4▼aMeteors & meteorites
■650 4▼aThermodynamics
■650 4▼aGeochemistry
■650 4▼aGeophysics
■650 4▼aPlanetology
■690 ▼a0590
■690 ▼a0373
■690 ▼a0996
■690 ▼a0348
■690 ▼a0467
■71020▼aCalifornia Institute of Technology▼bGeological and Planetary Sciences.
■7730 ▼tDissertations Abstracts International▼g87-01B.
■790 ▼a0037
■791 ▼aPh.D.
■792 ▼a2025
■793 ▼aEnglish
■85640▼uhttp://www.riss.kr/pdu/ddodLink.do?id=T17359303▼nKERIS▼z이 자료의 원문은 한국교육학술정보원에서 제공합니다.
