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Enabling Data-Driven Experimentation for High-Performance Polymer Thin Film Formulations
Enabling Data-Driven Experimentation for High-Performance Polymer Thin Film Formulations
Enabling Data-Driven Experimentation for High-Performance Polymer Thin Film Formulations

상세정보

자료유형  
 학위논문 서양
최종처리일시  
20260202105553
ISBN  
9798263397227
DDC  
620.11
저자명  
Liu, Aaron Li.
서명/저자  
Enabling Data-Driven Experimentation for High-Performance Polymer Thin Film Formulations
발행사항  
[Sl] : Georgia Institute of Technology, 2023
발행사항  
Ann Arbor : ProQuest Dissertations & Theses, 2023
형태사항  
204 p
주기사항  
Source: Dissertations Abstracts International, Volume: 87-05, Section: B.
주기사항  
Advisor: Grover, Martha;Meredith, Carson;Reichmanis, Elsa.
학위논문주기  
Thesis (Ph.D.)--Georgia Institute of Technology, 2023.
초록/해제  
요약Polymer thin films are a ubiquitous class of materials, as they demonstrate unprecedented performance in countless modern applications spanning electronics, coatings, composites, clean energy, packaging, and more. However, their final formulations are time-consuming to optimize through trial-and-error, as they are generated from a myriad of component choices and processing histories. While the advent of data science approaches has uncovered the promise of polymer informatics to accelerate new developments in polymer research, several challenges exist in adopting data-driven approaches effectively for the experimentation of polymer thin films. A foremost challenge is the low availability of experimental data, pertaining to the relevant process-structure-property relationships, that would yield the requisite knowledge necessary to construct precise models. "Small data" is an inherent problem for polymer thin film formulations; because their figures of merit are performance-based and often application-specific, parameter spaces are large, and reported data is inconsistent and sparse. To bridge the small data gaps that preclude the broader adoption of polymer informatics, this body of work details a series of case studies, spanning polymer stabilizers, composite blends, and organic electronics, addressing objectives that exemplify the broad challenges associated with accelerated development of polymer formulation technologies.The chapters within this dissertation address objectives that exemplify the broad challenges associated with enabling data-driven development of polymer formulations. First, when small datasets are inevitable, the incorporation of "small data analytics" approaches on small datasets provides a crucial foundation in extracting preliminary domain knowledge and informing future experimental work toward richer datasets. This thrust is demonstrated through a case study focusing on polymer stabilizer candidate discovery through descriptor calculation, domain knowledge extraction, and machine learning on a small dataset extracted from a patent. Second, while generating a larger amount of data through automated approaches is a prevalent area of interest for materials and polymer informatics, process constraints must be overcome to enable a broader adoption of high-throughput experimental methodologies. A major contribution to this goal is detailed in the design and implementation of a composition gradient thin film methodology that can handle systems at a variety of volume scales and temperature ranges, demonstrated through the interrogation of process-structure-property relations in polypropylene/polystyrene and poly(3-hexylthiophene-2,5-diyl)/polystyrene blend formulations. Finally, evolving polymer informatics to "big data" requires the development of robust data models and database structures that are representative of the complex, realworld parameter spaces associated with sample records, such that their provenance and processing details can be fully captured in a given materials sub-domain. The final chapter demonstrates a data management model for organic thin film transistors and implements it as an example system in polymer-based electronics, with the goal of promoting data management practices across other domains. Overall, this body of work features the rational integration of small-data analytics, high-throughput experimentation, and database design as key factors in enabling holistic data-driven methodologies for experimental materials development, particularly for polymer thin films.
일반주제명  
Materials research
일반주제명  
Semiconductors
일반주제명  
Protective coatings
일반주제명  
Genomes
일반주제명  
Data science
일반주제명  
Electronics
일반주제명  
Effluents
일반주제명  
Expenditures
일반주제명  
Thin films
일반주제명  
Viscosity
일반주제명  
Additives
일반주제명  
Solvents
일반주제명  
Design
일반주제명  
Reynolds number
일반주제명  
Digital technology
일반주제명  
Condensed matter physics
일반주제명  
Fluid mechanics
일반주제명  
Genetics
일반주제명  
Industrial engineering
일반주제명  
Materials science
기타저자  
Georgia Institute of Technology.
기본자료저록  
Dissertations Abstracts International. 87-05B.
전자적 위치 및 접속  
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MARC

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■0820  ▼a620.11
■1001  ▼aLiu,  Aaron  Li.
■24510▼aEnabling  Data-Driven  Experimentation  for  High-Performance  Polymer  Thin  Film  Formulations
■260    ▼a[Sl]▼bGeorgia  Institute  of  Technology▼c2023
■260  1▼aAnn  Arbor▼bProQuest  Dissertations  &  Theses▼c2023
■300    ▼a204  p
■500    ▼aSource:  Dissertations  Abstracts  International,  Volume:  87-05,  Section:  B.
■500    ▼aAdvisor:  Grover,  Martha;Meredith,  Carson;Reichmanis,  Elsa.
■5021  ▼aThesis  (Ph.D.)--Georgia  Institute  of  Technology,  2023.
■520    ▼aPolymer  thin  films  are  a  ubiquitous  class  of  materials,  as  they  demonstrate  unprecedented  performance  in  countless  modern  applications  spanning  electronics,  coatings,  composites,  clean  energy,  packaging,  and  more.  However,  their  final  formulations  are  time-consuming  to  optimize  through  trial-and-error,  as  they  are  generated  from  a  myriad  of  component  choices  and  processing  histories.  While  the  advent  of  data  science  approaches  has  uncovered  the  promise  of  polymer  informatics  to  accelerate  new  developments  in  polymer  research,  several  challenges  exist  in  adopting  data-driven  approaches  effectively  for  the  experimentation  of  polymer  thin  films.  A  foremost  challenge  is  the  low  availability  of  experimental  data,  pertaining  to  the  relevant  process-structure-property  relationships,  that  would  yield  the  requisite  knowledge  necessary  to  construct  precise  models.  "Small  data"  is  an  inherent  problem  for  polymer  thin  film  formulations;  because  their  figures  of  merit  are  performance-based  and  often  application-specific,  parameter  spaces  are  large,  and  reported  data  is  inconsistent  and  sparse.  To  bridge  the  small  data  gaps  that  preclude  the  broader  adoption  of  polymer  informatics,  this  body  of  work  details  a  series  of  case  studies,  spanning  polymer  stabilizers,  composite  blends,  and  organic  electronics,  addressing  objectives  that  exemplify  the  broad  challenges  associated  with  accelerated  development  of  polymer  formulation  technologies.The  chapters  within  this  dissertation  address  objectives  that  exemplify  the  broad  challenges  associated  with  enabling  data-driven  development  of  polymer  formulations.  First,  when  small  datasets  are  inevitable,  the  incorporation  of  "small  data  analytics"  approaches  on  small  datasets  provides  a  crucial  foundation  in  extracting  preliminary  domain  knowledge  and  informing  future  experimental  work  toward  richer  datasets.  This  thrust  is  demonstrated  through  a  case  study  focusing  on  polymer  stabilizer  candidate  discovery  through  descriptor  calculation,  domain  knowledge  extraction,  and  machine  learning  on  a  small  dataset  extracted  from  a  patent.  Second,  while  generating  a  larger  amount  of  data  through  automated  approaches  is  a  prevalent  area  of  interest  for  materials  and  polymer  informatics,  process  constraints  must  be  overcome  to  enable  a  broader  adoption  of  high-throughput  experimental  methodologies.  A  major  contribution  to  this  goal  is  detailed  in  the  design  and  implementation  of  a  composition  gradient  thin  film  methodology  that  can  handle  systems  at  a  variety  of  volume  scales  and  temperature  ranges,  demonstrated  through  the  interrogation  of  process-structure-property  relations  in  polypropylene/polystyrene  and  poly(3-hexylthiophene-2,5-diyl)/polystyrene  blend  formulations.  Finally,  evolving  polymer  informatics  to  "big  data"  requires  the  development  of  robust  data  models  and  database  structures  that  are  representative  of  the  complex,  realworld  parameter  spaces  associated  with  sample  records,  such  that  their  provenance  and  processing  details  can  be  fully  captured  in  a  given  materials  sub-domain.  The  final  chapter  demonstrates  a  data  management  model  for  organic  thin  film  transistors  and  implements  it  as  an  example  system  in  polymer-based  electronics,  with  the  goal  of  promoting  data  management  practices  across  other  domains.  Overall,  this  body  of  work  features  the  rational  integration  of  small-data  analytics,  high-throughput  experimentation,  and  database  design  as  key  factors  in  enabling  holistic  data-driven  methodologies  for  experimental  materials  development,  particularly  for  polymer  thin  films.
■590    ▼aSchool  code:  0078.
■650  4▼aMaterials  research
■650  4▼aSemiconductors
■650  4▼aProtective  coatings
■650  4▼aGenomes
■650  4▼aData  science
■650  4▼aElectronics
■650  4▼aEffluents
■650  4▼aExpenditures
■650  4▼aThin  films
■650  4▼aViscosity
■650  4▼aAdditives
■650  4▼aSolvents
■650  4▼aDesign
■650  4▼aReynolds  number
■650  4▼aDigital  technology
■650  4▼aCondensed  matter  physics
■650  4▼aFluid  mechanics
■650  4▼aGenetics
■650  4▼aIndustrial  engineering
■650  4▼aMaterials  science
■690    ▼a0389
■690    ▼a0800
■690    ▼a0611
■690    ▼a0204
■690    ▼a0369
■690    ▼a0546
■690    ▼a0794
■71020▼aGeorgia  Institute  of  Technology.
■7730  ▼tDissertations  Abstracts  International▼g87-05B.
■790    ▼a0078
■791    ▼aPh.D.
■792    ▼a2023
■793    ▼aEnglish
■85640▼uhttp://www.riss.kr/pdu/ddodLink.do?id=T17360596▼nKERIS▼z이  자료의  원문은  한국교육학술정보원에서  제공합니다.

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