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Multiscale Modeling of Polymers: Fracture Simulations, Constitutive Modeling and Crystallization Analysis
Multiscale Modeling of Polymers: Fracture Simulations, Constitutive Modeling and Crystalli...
Multiscale Modeling of Polymers: Fracture Simulations, Constitutive Modeling and Crystallization Analysis

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자료유형  
 학위논문 서양
최종처리일시  
20250211151459
ISBN  
9798384453864
DDC  
620
저자명  
Tamur, Caglar.
서명/저자  
Multiscale Modeling of Polymers: Fracture Simulations, Constitutive Modeling and Crystallization Analysis
발행사항  
[Sl] : University of California, Berkeley, 2024
발행사항  
Ann Arbor : ProQuest Dissertations & Theses, 2024
형태사항  
107 p
주기사항  
Source: Dissertations Abstracts International, Volume: 86-04, Section: B.
주기사항  
Advisor: Li, Shaofan.
학위논문주기  
Thesis (Ph.D.)--University of California, Berkeley, 2024.
초록/해제  
요약The dissertation investigates the complex behavior of polymers through computational mechanics, employing numerical techniques that include peridynamics (PD), finite element methods (FEM), molecular dynamics (MD), and deep learning. Our aim is to develop a deeper understanding of the relationship between the polymer microstructure and the resultant mechanical properties, in the context of fracture mechanics, large deformation problems, and additive manufacturing.In the second chapter, we introduce a numerical framework to simulate the fracture response of elastomeric materials. The approach utilizes the bond-based peridynamics formulation, which is a nonlocal and meshfree alternative to the continuum-based methods. We introduced a novel bond potential into the framework, based on the non-Gaussian chain statistics theory, which treats the material as a complex network of randomly jointed chains with extensible links. The resultant formulation is capable of capturing the fracture and large deformation process of elastomeric materials, as demonstrated in several numerical examples and comparisons with the experimental data.The remaining chapters focus on the semicrystalline polymers that are used in additive manufacturing. In the third chapter, we have developed a constitutive law for crystalline polymers, based on molecular dynamics and machine learning. We have collected data from the MD simulations of Polyamide12 (PA12), which is used to train deep neural networks to capture the mechanical response of the material. We demonstrated that this novel approach can accurately provide a three-dimensional molecular-level anisotropic constitutive relation that can be used in macroscale mechanics methods such as the FEM. The final chapter consists of an analysis of the crystallization of polymers during the additive manufacturing process. By incorporating crystallization and melting models for PA12, we performed a heat transfer analysis using FEM to predict changes in crystallinity during the manufacturing process, which can help achieve the desired mechanical properties in the final product.
일반주제명  
Engineering
일반주제명  
Mechanics
일반주제명  
Environmental engineering
키워드  
Computational mechanics
키워드  
Deep learning
키워드  
Molecular dynamics
키워드  
Multiscale modeling
키워드  
Peridynamics
키워드  
Polymers
기타저자  
University of California, Berkeley Civil and Environmental Engineering
기본자료저록  
Dissertations Abstracts International. 86-04B.
전자적 위치 및 접속  
로그인 후 원문을 볼 수 있습니다.

MARC

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■040    ▼aMiAaPQ▼cMiAaPQ
■0820  ▼a620
■1001  ▼aTamur,  Caglar.
■24510▼aMultiscale  Modeling  of  Polymers:  Fracture  Simulations,  Constitutive  Modeling  and  Crystallization  Analysis
■260    ▼a[Sl]▼bUniversity  of  California,  Berkeley▼c2024
■260  1▼aAnn  Arbor▼bProQuest  Dissertations  &  Theses▼c2024
■300    ▼a107  p
■500    ▼aSource:  Dissertations  Abstracts  International,  Volume:  86-04,  Section:  B.
■500    ▼aAdvisor:  Li,  Shaofan.
■5021  ▼aThesis  (Ph.D.)--University  of  California,  Berkeley,  2024.
■520    ▼aThe  dissertation  investigates  the  complex  behavior  of  polymers  through  computational  mechanics,  employing  numerical  techniques  that  include  peridynamics  (PD),  finite  element  methods  (FEM),  molecular  dynamics  (MD),  and  deep  learning.  Our  aim  is  to  develop  a  deeper  understanding  of  the  relationship  between  the  polymer  microstructure  and  the  resultant  mechanical  properties,  in  the  context  of  fracture  mechanics,  large  deformation  problems,  and  additive  manufacturing.In  the  second  chapter,  we  introduce  a  numerical  framework  to  simulate  the  fracture  response  of  elastomeric  materials.  The  approach  utilizes  the  bond-based  peridynamics  formulation,  which  is  a  nonlocal  and  meshfree  alternative  to  the  continuum-based  methods.  We  introduced  a  novel  bond  potential  into  the  framework,  based  on  the  non-Gaussian  chain  statistics  theory,  which  treats  the  material  as  a  complex  network  of  randomly  jointed  chains  with  extensible  links.  The  resultant  formulation  is  capable  of  capturing  the  fracture  and  large  deformation  process  of  elastomeric  materials,  as  demonstrated  in  several  numerical  examples  and  comparisons  with  the  experimental  data.The  remaining  chapters  focus  on  the  semicrystalline  polymers  that  are  used  in  additive  manufacturing.  In  the  third  chapter,  we  have  developed  a  constitutive  law  for  crystalline  polymers,  based  on  molecular  dynamics  and  machine  learning.  We  have  collected  data  from  the  MD  simulations  of  Polyamide12  (PA12),  which  is  used  to  train  deep  neural  networks  to  capture  the  mechanical  response  of  the  material.  We  demonstrated  that  this  novel  approach  can  accurately  provide  a  three-dimensional  molecular-level  anisotropic  constitutive  relation  that  can  be  used  in  macroscale  mechanics  methods  such  as  the  FEM.  The  final  chapter  consists  of  an  analysis  of  the  crystallization  of  polymers  during  the  additive  manufacturing  process.  By  incorporating  crystallization  and  melting  models  for  PA12,  we  performed  a  heat  transfer  analysis  using  FEM  to  predict  changes  in  crystallinity  during  the  manufacturing  process,  which  can  help  achieve  the  desired  mechanical  properties  in  the  final  product.
■590    ▼aSchool  code:  0028.
■650  4▼aEngineering
■650  4▼aMechanics
■650  4▼aEnvironmental  engineering
■653    ▼aComputational  mechanics
■653    ▼aDeep  learning
■653    ▼aMolecular  dynamics
■653    ▼aMultiscale  modeling
■653    ▼aPeridynamics
■653    ▼aPolymers
■690    ▼a0543
■690    ▼a0346
■690    ▼a0775
■690    ▼a0537
■71020▼aUniversity  of  California,  Berkeley▼bCivil  and  Environmental  Engineering.
■7730  ▼tDissertations  Abstracts  International▼g86-04B.
■790    ▼a0028
■791    ▼aPh.D.
■792    ▼a2024
■793    ▼aEnglish
■85640▼uhttp://www.riss.kr/pdu/ddodLink.do?id=T17161896▼nKERIS▼z이  자료의  원문은  한국교육학술정보원에서  제공합니다.

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