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Characterization of the Microstructures and Effective Physical Properties of Heterogeneous Materials Across the Order-Disorder Spectrum
Characterization of the Microstructures and Effective Physical Properties of Heterogeneous...
Characterization of the Microstructures and Effective Physical Properties of Heterogeneous Materials Across the Order-Disorder Spectrum

상세정보

자료유형  
 학위논문 서양
최종처리일시  
20260202105124
ISBN  
9798297601925
DDC  
540
저자명  
Skolnick, Murray Eli.
서명/저자  
Characterization of the Microstructures and Effective Physical Properties of Heterogeneous Materials Across the Order-Disorder Spectrum
발행사항  
[Sl] : Princeton University, 2025
발행사항  
Ann Arbor : ProQuest Dissertations & Theses, 2025
형태사항  
356 p
주기사항  
Source: Dissertations Abstracts International, Volume: 87-04, Section: B.
주기사항  
Advisor: Torquato, Salvatore.
학위논문주기  
Thesis (Ph.D.)--Princeton University, 2025.
초록/해제  
요약Heterogeneous multi-phase materials are ubiquitous in natural and synthetic contexts, such as alloys, composites, and porous media. Such materials display an enormous diversity of microstructures that span the order-disorder spectrum and exhibit a wide-variety of phase geometries and topologies. Since the microstructure of a heterogeneous material determines its effective physical properties (e.g., conductive, elastic, and diffusive), the capacity to quantitatively classify and compare such microstructures is central to characterizing and designing materials with novel physical properties, including exotic disordered hyperuniform ones. In this thesis, I develop new computational methodologies and theoretical techniques to characterize a wide variety of microstructures of heterogeneous materials across the order-disorder spectrum and predict their effective physical properties. In Chapter 2, we demonstrate how microstructures with degenerate two-point correlation functions can exhibit non-trivial differences in their other microstructural statistics, percolation thresholds, and effective diffusion and fluid transport properties. In Chapter 3, we formulate robust and sensitive metrics to quantify the degree of order/disorder across length scales in heterogeneous materials. In Chapter 4, we develop a computationally efficient algorithm for ascertaining the diffusion spreadability S(t), a novel quantity that provides a direct link between time-dependent interphase diffusive transport and the microstructure of heterogeneous materials across length scales, directly from computationally efficient random-walk techniques. In Chapter 5, the order metrics developed in Chapter 3 are fruitfully applied to the task of quantifying phase mixing and separation behaviors in real and simulated microstructures across length and time scales. In Chapter 6, we develop and utilize a computationally efficient algorithm to compute the three-point microstructural quantities ζ2 and η2 for a variety of model microstructures and show that these parameters are sensitive to the phase-connectedness properties of a microstructure. In Chapter 7, we show that a virtually unexplored approximation formula, which depends on ζ2 and η2, accurately predicts the effective conductivities of highly clustered two-phase microstructures. In Chapter 8, we develop a hard particle packing inspired algorithm to accurately model the geometrical and topological connectedness properties of the inorganic layers of silver-chromium layered "mosaic" halide perovskite alloys.
일반주제명  
Chemistry
일반주제명  
Statistical physics
일반주제명  
Materials science
일반주제명  
Applied physics
일반주제명  
Physical chemistry
키워드  
Effective properties
키워드  
Heterogeneous materials
키워드  
Hyperuniformity
키워드  
Order metrics
키워드  
Packing
키워드  
Two-phase media
기타저자  
Princeton University Chemistry
기본자료저록  
Dissertations Abstracts International. 87-04B.
전자적 위치 및 접속  
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MARC

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■1001  ▼aSkolnick,  Murray  Eli.▼0(orcid)0000-0003-3743-4294
■24510▼aCharacterization  of  the  Microstructures  and  Effective  Physical  Properties  of  Heterogeneous  Materials  Across  the  Order-Disorder  Spectrum
■260    ▼a[Sl]▼bPrinceton  University▼c2025
■260  1▼aAnn  Arbor▼bProQuest  Dissertations  &  Theses▼c2025
■300    ▼a356  p
■500    ▼aSource:  Dissertations  Abstracts  International,  Volume:  87-04,  Section:  B.
■500    ▼aAdvisor:  Torquato,  Salvatore.
■5021  ▼aThesis  (Ph.D.)--Princeton  University,  2025.
■520    ▼aHeterogeneous  multi-phase  materials  are  ubiquitous  in  natural  and  synthetic  contexts,  such  as  alloys,  composites,  and  porous  media.  Such  materials  display  an  enormous  diversity  of  microstructures  that  span  the  order-disorder  spectrum  and  exhibit  a  wide-variety  of  phase  geometries  and  topologies.  Since  the  microstructure  of  a  heterogeneous  material  determines  its  effective  physical  properties  (e.g.,  conductive,  elastic,  and  diffusive),  the  capacity  to  quantitatively  classify  and  compare  such  microstructures  is  central  to  characterizing  and  designing  materials  with  novel  physical  properties,  including  exotic  disordered  hyperuniform  ones.  In  this  thesis,  I  develop  new  computational  methodologies  and  theoretical  techniques  to  characterize  a  wide  variety  of  microstructures  of  heterogeneous  materials  across  the  order-disorder  spectrum  and  predict  their  effective  physical  properties.  In  Chapter  2,  we  demonstrate  how  microstructures  with  degenerate  two-point  correlation  functions  can  exhibit  non-trivial  differences  in  their  other  microstructural  statistics,  percolation  thresholds,  and  effective  diffusion  and  fluid  transport  properties.  In  Chapter  3,  we  formulate  robust  and  sensitive  metrics  to  quantify  the  degree  of  order/disorder  across  length  scales  in  heterogeneous  materials.  In  Chapter  4,  we  develop  a  computationally  efficient  algorithm  for  ascertaining  the  diffusion  spreadability  S(t),  a  novel  quantity  that  provides  a  direct  link  between  time-dependent  interphase  diffusive  transport  and  the  microstructure  of  heterogeneous  materials  across  length  scales,  directly  from  computationally  efficient  random-walk  techniques.  In  Chapter  5,  the  order  metrics  developed  in  Chapter  3  are  fruitfully  applied  to  the  task  of  quantifying  phase  mixing  and  separation  behaviors  in  real  and  simulated  microstructures  across  length  and  time  scales.  In  Chapter  6,  we  develop  and  utilize  a  computationally  efficient  algorithm  to  compute  the  three-point  microstructural  quantities  ζ2  and  η2  for  a  variety  of  model  microstructures  and  show  that  these  parameters  are  sensitive  to  the  phase-connectedness  properties  of  a  microstructure.  In  Chapter  7,  we  show  that  a  virtually  unexplored  approximation  formula,  which  depends  on  ζ2  and  η2,  accurately  predicts  the  effective  conductivities  of  highly  clustered  two-phase  microstructures.  In  Chapter  8,  we  develop  a  hard  particle  packing  inspired  algorithm  to  accurately  model  the  geometrical  and  topological  connectedness  properties  of  the  inorganic  layers  of  silver-chromium  layered  "mosaic"  halide  perovskite  alloys.
■590    ▼aSchool  code:  0181.
■650  4▼aChemistry
■650  4▼aStatistical  physics
■650  4▼aMaterials  science
■650  4▼aApplied  physics
■650  4▼aPhysical  chemistry
■653    ▼aEffective  properties
■653    ▼aHeterogeneous  materials
■653    ▼aHyperuniformity
■653    ▼aOrder  metrics
■653    ▼aPacking
■653    ▼aTwo-phase  media
■690    ▼a0485
■690    ▼a0794
■690    ▼a0217
■690    ▼a0215
■690    ▼a0494
■71020▼aPrinceton  University▼bChemistry.
■7730  ▼tDissertations  Abstracts  International▼g87-04B.
■790    ▼a0181
■791    ▼aPh.D.
■792    ▼a2025
■793    ▼aEnglish
■85640▼uhttp://www.riss.kr/pdu/ddodLink.do?id=T17359476▼nKERIS▼z이  자료의  원문은  한국교육학술정보원에서  제공합니다.

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