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Free and Obstructed Glide of Dislocations: A Theoretical Framework
Free and Obstructed Glide of Dislocations: A Theoretical Framework
Free and Obstructed Glide of Dislocations: A Theoretical Framework

Detailed Information

자료유형  
 학위논문 서양
최종처리일시  
20260202105703
ISBN  
9798263308070
DDC  
620.11
저자명  
Celebi, Orcun Koray.
서명/저자  
Free and Obstructed Glide of Dislocations: A Theoretical Framework
발행사항  
[Sl] : University of Illinois at Urbana-Champaign, 2024
발행사항  
Ann Arbor : ProQuest Dissertations & Theses, 2024
형태사항  
221 p
주기사항  
Source: Dissertations Abstracts International, Volume: 87-05, Section: B.
주기사항  
Advisor: Sehitoglu, Huseyin.
학위논문주기  
Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 2024.
초록/해제  
요약Yield strength, which marks the transition from the elastic to plastic deformation regimes, represents the fundamental mechanical property of structural materials. Beyond the yield point, microstructural changes occur driven by the underlying deformation mechanisms such as slip, twinning, and phase transformation. In crystalline structural materials, the most common mechanism responsible for this plastic deformation is the slip of line defects, known as dislocations. These defects translate under external shear stress and produce plastic flow within the material. The Critical Resolved Shear Stress (CRSS) marks the stress required for slip activation and is related to the yield strength of the material through the Schmid factor. The magnitude of CRSS in different slip-systems and in grains of different orientations dictate the anisotropy of materials relevant to overall polycrystalline response and development of crystallographic texture. The magnitude of CRSS at crack tips dictates the fracture and fatigue response of materials and is an important quantity in understanding failure processes. The experimental CRSS levels are difficult to determine for all slip-systems because their activation requires precise sample orientation, precise measurement of strains, minimal interaction among different slip-systems to isolate a single slip case, and testing in tension and compression modes to reveal the asymmetry. On the other hand, its theoretical determination has been challenging because many of the idealized models give stress levels in GPas while the experimental values are of the order of MPas in metals. Existing approaches for CRSS determination are highly unsatisfactory because of empiricism associated with determination of dislocation "core-width" and nature of core-advance. This study proposes a predictive model addressing both shortcomings. The core-width is rigorously determined from an optimized balance between continuum strain-energy and atomistic misfit-energy of the dislocation's core. The strain-energy is calculated using the fully-anisotropic Eshelby-Stroh formalism accommodating the inherent mixed characters of the partials constituting the extended dislocation. The misfit-energy is determined from critical fault-energies of the slip-plane input to a novel misfit-model capturing the lattice structure of the slip-plane and involving the discrete Wigner-Seitz cell area at each lattice site, advancing over an 80-year old misfit-energy model that has missed the role of both concepts. For the first time in literature, the nature of motion of the extended-dislocation's core is rigorously derived from an optimized trajectory of its total-energy. It is shown that each partial's core moves intermittently ("zig-zag" motion), and not together, allowing the stacking-fault width to fluctuate during advance of the extended-dislocation. The critical stress is shown to involve a trajectory-dependent combination of Schmid factors for each partial, also revealed for the first time. The proposed model is used to predict critical stress for multiple FCC and HCP materials including pure metals, solid-solution alloys, and High Entropy Alloys (HEAs), displaying excellent agreement with experiments. The work opens future avenues for rapid reliable assessment of a multitude of compositions across varying lattice structures, addressing a major void in structure-property prediction for structural materials, also instrumental for ab-initio materials design. Dislocations interact with other pre-existing defects in the crystal, such as twins, resulting in favorable improvements in mechanical properties. The superior mechanical response of twinnable materials fundamentally arises from an elevation of CRSS due to Dislocation-Twin Boundary (D-TB) reactions. These reactions exhibit rich variety with several possible outcomes and exhibit complex dependence on microstructural properties, causing state-of-the-art models to adopt a case-by-case simulation of each reaction relying on empirical potentials or twin-interaction parameters. We develop an analytical "Evolving Dislocation Core" (EDC) model devoid of empiricism, capable of predicting the CRSS-elevation for any reaction, given the microstructural properties (elastic constants, twin crystallography, etc.). The approach is fundamentally rooted in energy-minimization within a fully-anisotropic framework revealing the evolution of dislocation cores with progression of the reaction. The core-structure of complex dislocations (e.g. stair-rod) in the reaction is proposed, for the first time in literature, as a non-planar composite of disregistries distributed on slip and twin planes. The model is applied to multiple slip-incorporation reactions in several Face-Centered-Cubic (FCC) materials (Pb, Ag, Cu, Ni-Co alloys and Ni-Ti alloys and high-entropy alloy FeNiCoCrMn). The predicted CRSS-elevations show agreement with atomistic simulations (Ni) and experiment (FeNiCoCrMn). The model further establishes a strong correlation of the elevation with unstable stacking/twinning fault energy and the magnitude of the sessile dislocation's Burgers vector, while revealing poor correlation with the stable intrinsic stacking fault energy which is a common benchmark. Thus, the analytical EDC model developed in this study advances understanding of slip-twin interactions on multiple fronts while serving as an effective predictive model for CRSS-elevation instrumental in materials design.
일반주제명  
Materials science
일반주제명  
Mechanical engineering
일반주제명  
Applied physics
일반주제명  
Engineering
키워드  
Dislocations
키워드  
Computational mechanics
키워드  
Critical Resolved Shear Stress
키워드  
Structural materials
기타저자  
University of Illinois at Urbana-Champaign Mechanical Sci & Engineering
기본자료저록  
Dissertations Abstracts International. 87-05B.
전자적 위치 및 접속  
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■1001  ▼aCelebi,  Orcun  Koray.
■24510▼aFree  and  Obstructed  Glide  of  Dislocations:  A  Theoretical  Framework
■260    ▼a[Sl]▼bUniversity  of  Illinois  at  Urbana-Champaign▼c2024
■260  1▼aAnn  Arbor▼bProQuest  Dissertations  &  Theses▼c2024
■300    ▼a221  p
■500    ▼aSource:  Dissertations  Abstracts  International,  Volume:  87-05,  Section:  B.
■500    ▼aAdvisor:  Sehitoglu,  Huseyin.
■5021  ▼aThesis  (Ph.D.)--University  of  Illinois  at  Urbana-Champaign,  2024.
■520    ▼aYield  strength,  which  marks  the  transition  from  the  elastic  to  plastic  deformation  regimes,  represents  the  fundamental  mechanical  property  of  structural  materials.  Beyond  the  yield  point,  microstructural  changes  occur  driven  by  the  underlying  deformation  mechanisms  such  as  slip,  twinning,  and  phase  transformation.  In  crystalline  structural  materials,  the  most  common  mechanism  responsible  for  this  plastic  deformation  is  the  slip  of  line  defects,  known  as  dislocations.  These  defects  translate  under  external  shear  stress  and  produce  plastic  flow  within  the  material.  The  Critical  Resolved  Shear  Stress  (CRSS)  marks  the  stress  required  for  slip  activation  and  is  related  to  the  yield  strength  of  the  material  through  the  Schmid  factor.  The  magnitude  of  CRSS  in  different  slip-systems  and  in  grains  of  different  orientations  dictate  the  anisotropy  of  materials  relevant  to  overall  polycrystalline  response  and  development  of  crystallographic  texture.  The  magnitude  of  CRSS  at  crack  tips  dictates  the  fracture  and  fatigue  response  of  materials  and  is  an  important  quantity  in  understanding  failure  processes.  The  experimental  CRSS  levels  are  difficult  to  determine  for  all  slip-systems  because  their  activation  requires  precise  sample  orientation,  precise  measurement  of  strains,  minimal  interaction  among  different  slip-systems  to  isolate  a  single  slip  case,  and  testing  in  tension  and  compression  modes  to  reveal  the  asymmetry.  On  the  other  hand,  its  theoretical  determination  has  been  challenging  because  many  of  the  idealized  models  give  stress  levels  in  GPas  while  the  experimental  values  are  of  the  order  of  MPas  in  metals.  Existing  approaches  for  CRSS  determination  are  highly  unsatisfactory  because  of  empiricism  associated  with  determination  of  dislocation  "core-width"  and  nature  of  core-advance.  This  study  proposes  a  predictive  model  addressing  both  shortcomings.  The  core-width  is  rigorously  determined  from  an  optimized  balance  between  continuum  strain-energy  and  atomistic  misfit-energy  of  the  dislocation's  core.  The  strain-energy  is  calculated  using  the  fully-anisotropic  Eshelby-Stroh  formalism  accommodating  the  inherent  mixed  characters  of  the  partials  constituting  the  extended  dislocation.  The  misfit-energy  is  determined  from  critical  fault-energies  of  the  slip-plane  input  to  a  novel  misfit-model  capturing  the  lattice  structure  of  the  slip-plane  and  involving  the  discrete  Wigner-Seitz  cell  area  at  each  lattice  site,  advancing  over  an  80-year  old  misfit-energy  model  that  has  missed  the  role  of  both  concepts.  For  the  first  time  in  literature,  the  nature  of  motion  of  the  extended-dislocation's  core  is  rigorously  derived  from  an  optimized  trajectory  of  its  total-energy.  It  is  shown  that  each  partial's  core  moves  intermittently  ("zig-zag"  motion),  and  not  together,  allowing  the  stacking-fault  width  to  fluctuate  during  advance  of  the  extended-dislocation.  The  critical  stress  is  shown  to  involve  a  trajectory-dependent  combination  of  Schmid  factors  for  each  partial,  also  revealed  for  the  first  time.  The  proposed  model  is  used  to  predict  critical  stress  for  multiple  FCC  and  HCP  materials  including  pure  metals,  solid-solution  alloys,  and  High  Entropy  Alloys  (HEAs),  displaying  excellent  agreement  with  experiments.  The  work  opens  future  avenues  for  rapid  reliable  assessment  of  a  multitude  of  compositions  across  varying  lattice  structures,  addressing  a  major  void  in  structure-property  prediction  for  structural  materials,  also  instrumental  for  ab-initio  materials  design.                        Dislocations  interact  with  other  pre-existing  defects  in  the  crystal,  such  as  twins,  resulting  in  favorable  improvements  in  mechanical  properties.  The  superior  mechanical  response  of  twinnable  materials  fundamentally  arises  from  an  elevation  of  CRSS  due  to  Dislocation-Twin  Boundary  (D-TB)  reactions.  These  reactions  exhibit  rich  variety  with  several  possible  outcomes  and  exhibit  complex  dependence  on  microstructural  properties,  causing  state-of-the-art  models  to  adopt  a  case-by-case  simulation  of  each  reaction  relying  on  empirical  potentials  or  twin-interaction  parameters.  We  develop  an  analytical  "Evolving  Dislocation  Core"  (EDC)  model  devoid  of  empiricism,  capable  of  predicting  the  CRSS-elevation  for  any  reaction,  given  the  microstructural  properties  (elastic  constants,  twin  crystallography,  etc.).  The  approach  is  fundamentally  rooted  in  energy-minimization  within  a  fully-anisotropic  framework  revealing  the  evolution  of  dislocation  cores  with  progression  of  the  reaction.  The  core-structure  of  complex  dislocations  (e.g.  stair-rod)  in  the  reaction  is  proposed,  for  the  first  time  in  literature,  as  a  non-planar  composite  of  disregistries  distributed  on  slip  and  twin  planes.  The  model  is  applied  to  multiple  slip-incorporation  reactions  in  several  Face-Centered-Cubic  (FCC)  materials  (Pb,  Ag,  Cu,  Ni-Co  alloys  and  Ni-Ti  alloys  and  high-entropy  alloy  FeNiCoCrMn).  The  predicted  CRSS-elevations  show  agreement  with  atomistic  simulations  (Ni)  and  experiment  (FeNiCoCrMn).  The  model  further  establishes  a  strong  correlation  of  the  elevation  with  unstable  stacking/twinning  fault  energy  and  the  magnitude  of  the  sessile  dislocation's  Burgers  vector,  while  revealing  poor  correlation  with  the  stable  intrinsic  stacking  fault  energy  which  is  a  common  benchmark.  Thus,  the  analytical  EDC  model  developed  in  this  study  advances  understanding  of  slip-twin  interactions  on  multiple  fronts  while  serving  as  an  effective  predictive  model  for  CRSS-elevation  instrumental  in  materials  design.
■590    ▼aSchool  code:  0090.
■650  4▼aMaterials  science
■650  4▼aMechanical  engineering
■650  4▼aApplied  physics
■650  4▼aEngineering
■653    ▼aDislocations
■653    ▼aComputational  mechanics
■653    ▼aCritical  Resolved  Shear  Stress
■653    ▼aStructural  materials
■690    ▼a0548
■690    ▼a0794
■690    ▼a0537
■690    ▼a0215
■71020▼aUniversity  of  Illinois  at  Urbana-Champaign▼bMechanical  Sci  &  Engineering.
■7730  ▼tDissertations  Abstracts  International▼g87-05B.
■790    ▼a0090
■791    ▼aPh.D.
■792    ▼a2024
■793    ▼aEnglish
■85640▼uhttp://www.riss.kr/pdu/ddodLink.do?id=T17361080▼nKERIS▼z이  자료의  원문은  한국교육학술정보원에서  제공합니다.

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