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Orientation Field Model for Grain Growth Accounting for Five Crystallographic Degrees of Freedom
Orientation Field Model for Grain Growth Accounting for Five Crystallographic Degrees of Freedom
상세정보
- 자료유형
- 학위논문 서양
- 최종처리일시
- 20250211151414
- ISBN
- 9798382762975
- DDC
- 620.11
- 서명/저자
- Orientation Field Model for Grain Growth Accounting for Five Crystallographic Degrees of Freedom
- 발행사항
- [Sl] : Northwestern University, 2024
- 발행사항
- Ann Arbor : ProQuest Dissertations & Theses, 2024
- 형태사항
- 122 p
- 주기사항
- Source: Dissertations Abstracts International, Volume: 85-11, Section: B.
- 주기사항
- Advisor: Voorhees, Peter W.
- 학위논문주기
- Thesis (Ph.D.)--Northwestern University, 2024.
- 초록/해제
- 요약A phase field model has been developed for simulation of isothermal grain coarsening in single-phase polycrystals, in two and three dimensions. The model allows the grain boundary energy and mobility to vary with all five macroscopic crystallographic degrees of freedom of the grain boundary, these being the misorientation between adjacent crystals and the inclination of the boundary plane. A continuous orientation field represents the local orientation of the crystal lattice with respect to the computational frame; the orientation field is coupled to an order parameter field with a singular coupling function, to create a finite width diffuse interface representation of a grain boundary. Within the diffuse interface, the orientation field varies smoothly from one grain orientation to that of the adjacent grain. The order parameter and orientation fields are evolved according to Allen-Cahn equations to simulate microstructure evolution.Rotationally invariant quantities which describe the local misorientation as a function of the orientation field are derived. These functions are used in the model free energy density to ensure invariance of the energy with respect to the choice of external reference frame. For the three-dimensional model, a rotationally invariant quantity representing local misorientation is derived based on the infinitesimal rotation tensor, while the grain boundary plane normal vector is defined in terms of gradients of the orientation field rotated into the crystal frame. The three dimensional model is derived in terms of a generalized function of rotationally invariant quantities, allowing variation in the dependence of the grain boundary energy on the five crystallographic degrees of freedom.The two and three dimensional models are demonstrated to reproduce analytical theories of grain boundary motion, including motion by mean curvature and triple junction dihedral angles obeying Young's law. The model does not exhibit anomalous triple junction drag and reproduces the steady-state triple junction velocity predicted by analytical theory. Wulff shapes are reproduced for cubic grain boundary energy anisotropy in the two-dimensional model. Simulations of polycrystalline thin films demonstrates the capability of the model to capture the effect of small angle grain boundaries on grain growth.
- 일반주제명
- Materials science
- 일반주제명
- Engineering
- 일반주제명
- Computational physics
- 키워드
- Grain boundary
- 키워드
- Grain growth
- 키워드
- Triple junction
- 기타저자
- Northwestern University Materials Science and Engineering
- 기본자료저록
- Dissertations Abstracts International. 85-11B.
- 전자적 위치 및 접속
- 로그인 후 원문을 볼 수 있습니다.
MARC
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■00520250211151414
■006m o d
■007cr#unu||||||||
■020 ▼a9798382762975
■035 ▼a(MiAaPQ)AAI31293218
■040 ▼aMiAaPQ▼cMiAaPQ
■0820 ▼a620.11
■1001 ▼aStaublin, Philip David.▼0(orcid)0000-0003-2403-4662
■24510▼aOrientation Field Model for Grain Growth Accounting for Five Crystallographic Degrees of Freedom
■260 ▼a[Sl]▼bNorthwestern University▼c2024
■260 1▼aAnn Arbor▼bProQuest Dissertations & Theses▼c2024
■300 ▼a122 p
■500 ▼aSource: Dissertations Abstracts International, Volume: 85-11, Section: B.
■500 ▼aAdvisor: Voorhees, Peter W.
■5021 ▼aThesis (Ph.D.)--Northwestern University, 2024.
■520 ▼aA phase field model has been developed for simulation of isothermal grain coarsening in single-phase polycrystals, in two and three dimensions. The model allows the grain boundary energy and mobility to vary with all five macroscopic crystallographic degrees of freedom of the grain boundary, these being the misorientation between adjacent crystals and the inclination of the boundary plane. A continuous orientation field represents the local orientation of the crystal lattice with respect to the computational frame; the orientation field is coupled to an order parameter field with a singular coupling function, to create a finite width diffuse interface representation of a grain boundary. Within the diffuse interface, the orientation field varies smoothly from one grain orientation to that of the adjacent grain. The order parameter and orientation fields are evolved according to Allen-Cahn equations to simulate microstructure evolution.Rotationally invariant quantities which describe the local misorientation as a function of the orientation field are derived. These functions are used in the model free energy density to ensure invariance of the energy with respect to the choice of external reference frame. For the three-dimensional model, a rotationally invariant quantity representing local misorientation is derived based on the infinitesimal rotation tensor, while the grain boundary plane normal vector is defined in terms of gradients of the orientation field rotated into the crystal frame. The three dimensional model is derived in terms of a generalized function of rotationally invariant quantities, allowing variation in the dependence of the grain boundary energy on the five crystallographic degrees of freedom.The two and three dimensional models are demonstrated to reproduce analytical theories of grain boundary motion, including motion by mean curvature and triple junction dihedral angles obeying Young's law. The model does not exhibit anomalous triple junction drag and reproduces the steady-state triple junction velocity predicted by analytical theory. Wulff shapes are reproduced for cubic grain boundary energy anisotropy in the two-dimensional model. Simulations of polycrystalline thin films demonstrates the capability of the model to capture the effect of small angle grain boundaries on grain growth.
■590 ▼aSchool code: 0163.
■650 4▼aMaterials science
■650 4▼aEngineering
■650 4▼aComputational physics
■653 ▼aGrain boundary
■653 ▼aGrain growth
■653 ▼aOrientation-field model
■653 ▼aPhase-field model
■653 ▼aTriple junction
■690 ▼a0794
■690 ▼a0537
■690 ▼a0216
■71020▼aNorthwestern University▼bMaterials Science and Engineering.
■7730 ▼tDissertations Abstracts International▼g85-11B.
■790 ▼a0163
■791 ▼aPh.D.
■792 ▼a2024
■793 ▼aEnglish
■85640▼uhttp://www.riss.kr/pdu/ddodLink.do?id=T17161569▼nKERIS▼z이 자료의 원문은 한국교육학술정보원에서 제공합니다.
