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Investigations into the Thermodynamics and Kinetics of Nanoscale Structures
Investigations into the Thermodynamics and Kinetics of Nanoscale Structures
Investigations into the Thermodynamics and Kinetics of Nanoscale Structures

Detailed Information

자료유형  
 학위논문 서양
최종처리일시  
20250211152945
ISBN  
9798342138949
DDC  
540
저자명  
Annadanam, Rayaprolu Goutham Sreekar.
서명/저자  
Investigations into the Thermodynamics and Kinetics of Nanoscale Structures
발행사항  
[Sl] : Purdue University, 2024
발행사항  
Ann Arbor : ProQuest Dissertations & Theses, 2024
형태사항  
116 p
주기사항  
Source: Dissertations Abstracts International, Volume: 86-04, Section: B.
주기사항  
Advisor: El-Azab, Anter;Zhang, Xinghang;Wang, Haiyan;Wharry, Janelle.
학위논문주기  
Thesis (Ph.D.)--Purdue University, 2024.
초록/해제  
요약This dissertation contains a series of investigations into the thermodynamics and kinetics of nanoscale structures. The first investigation focused upon understanding the nanoscale void shrinkage in copper under room-temperature ion irradiation, with the goal of validating the hypothesis that the void shrinkage at room temperature is due to a biased absorption of interstitials. Phase-field modeling was used, and the simulations revealed that void shrinkage arises from biased absorption of interstitials agreeing with the experimental findings, thus providing insights into the physical mechanisms of radiation response of nanoscale voids in metallic materials under ion irradiation. The second part of this dissertation tackles the concurrent shape change, size fluctuation, shrinkage and migration of voids at elevated temperatures. The phase field simulations predicted the spheroidization of faceted voids, void shrinkage, rapid migration of small voids, and explained the underlying mechanisms. A part of this investigation focused on the dissociation of long, pre-existing voids under heavy ion irradiation. The phase field simulations showed that the fragmentation of voids occurs due to a necking mechanism, which is controlled by competing kinetics of atoms diffusion toward and away from the necked region.The next part of this dissertation features a combined thermodynamics and molecular dynamics investigation of the conversion of stacking fault tetrahedra to helium filled bubbles under dual (Kr, He)-ion irradiated copper. We hypothesized a previously unreported mechanism for removal of these stacking faults in irradiated copper, that helium atoms migrate into the stacking fault pushing the native atoms to one side to aggregate vacancies together then reside in these vacancies to form bubbles. This mechanism was confirmed by molecular dynamics simulations.The last investigation focused on understanding the growth of Au interface layers around vertically aligned NiO nanoscale pillars embedded in TiN thin films, grown on top of Au pillars embedded in TiN layer. The same thin film configuration also included the formation of Ni agglomerates in the Au pillars in the lower layer. A thermodynamic investigation of various morphology and configurations confirmed that interdiffusion of Au and Ni is energetically favorable, which interprets the observed film morphology. The findings of this study are vital for understanding the formation mechanisms of complex vertically aligned nanocomposites (VANs) and future designs of new three-phase VAN structures with complex morphologies.
일반주제명  
Tin
일반주제명  
Thermodynamics
일반주제명  
Nanocomposites
일반주제명  
Bubbles
일반주제명  
High temperature
일반주제명  
Copper
일반주제명  
Point defects
일반주제명  
Energy
일반주제명  
Helium
일반주제명  
Thin films
일반주제명  
Radiation
일반주제명  
Embryos
일반주제명  
Solid solutions
일반주제명  
Nuclear reactors
일반주제명  
Temperature effects
일반주제명  
Phase transitions
일반주제명  
Kinetics
일반주제명  
Atomic physics
일반주제명  
Condensed matter physics
일반주제명  
High temperature physics
일반주제명  
Materials science
일반주제명  
Nanotechnology
일반주제명  
Nuclear engineering
기타저자  
Purdue University.
기본자료저록  
Dissertations Abstracts International. 86-04B.
전자적 위치 및 접속  
로그인 후 원문을 볼 수 있습니다.

MARC

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■1001  ▼aAnnadanam,  Rayaprolu  Goutham  Sreekar.
■24510▼aInvestigations  into  the  Thermodynamics  and  Kinetics  of  Nanoscale  Structures
■260    ▼a[Sl]▼bPurdue  University▼c2024
■260  1▼aAnn  Arbor▼bProQuest  Dissertations  &  Theses▼c2024
■300    ▼a116  p
■500    ▼aSource:  Dissertations  Abstracts  International,  Volume:  86-04,  Section:  B.
■500    ▼aAdvisor:  El-Azab,  Anter;Zhang,  Xinghang;Wang,  Haiyan;Wharry,  Janelle.
■5021  ▼aThesis  (Ph.D.)--Purdue  University,  2024.
■520    ▼aThis  dissertation  contains  a  series  of  investigations  into  the  thermodynamics  and  kinetics  of  nanoscale  structures.  The  first  investigation  focused  upon  understanding  the  nanoscale  void  shrinkage  in  copper  under  room-temperature  ion  irradiation,  with  the  goal  of  validating  the  hypothesis  that  the  void  shrinkage  at  room  temperature  is  due  to  a  biased  absorption  of  interstitials.  Phase-field  modeling  was  used,  and  the  simulations  revealed  that  void  shrinkage  arises  from  biased  absorption  of  interstitials  agreeing  with  the  experimental  findings,  thus  providing  insights  into  the  physical  mechanisms  of  radiation  response  of  nanoscale  voids  in  metallic  materials  under  ion  irradiation.  The  second  part  of  this  dissertation  tackles  the  concurrent  shape  change,  size  fluctuation,  shrinkage  and  migration  of  voids  at  elevated  temperatures.  The  phase  field  simulations  predicted  the  spheroidization  of  faceted  voids,  void  shrinkage,  rapid  migration  of  small  voids,  and  explained  the  underlying  mechanisms.  A  part  of  this  investigation  focused  on  the  dissociation  of  long,  pre-existing  voids  under  heavy  ion  irradiation.  The  phase  field  simulations  showed  that  the  fragmentation  of  voids  occurs  due  to  a  necking  mechanism,  which  is  controlled  by  competing  kinetics  of  atoms  diffusion  toward  and  away  from  the  necked  region.The  next  part  of  this  dissertation  features  a  combined  thermodynamics  and  molecular  dynamics  investigation  of  the  conversion  of  stacking  fault  tetrahedra  to  helium  filled  bubbles  under  dual  (Kr,  He)-ion  irradiated  copper.  We  hypothesized  a  previously  unreported  mechanism  for  removal  of  these  stacking  faults  in  irradiated  copper,  that  helium  atoms  migrate  into  the  stacking  fault  pushing  the  native  atoms  to  one  side  to  aggregate  vacancies  together  then  reside  in  these  vacancies  to  form  bubbles.  This  mechanism  was  confirmed  by  molecular  dynamics  simulations.The  last  investigation  focused  on  understanding  the  growth  of  Au  interface  layers  around  vertically  aligned  NiO  nanoscale  pillars  embedded  in  TiN  thin  films,  grown  on  top  of  Au  pillars  embedded  in  TiN  layer.  The  same  thin  film  configuration  also  included  the  formation  of  Ni  agglomerates  in  the  Au  pillars  in  the  lower  layer.  A  thermodynamic  investigation  of  various  morphology  and  configurations  confirmed  that  interdiffusion  of  Au  and  Ni  is  energetically  favorable,  which  interprets  the  observed  film  morphology.  The  findings  of  this  study  are  vital  for  understanding  the  formation  mechanisms  of  complex  vertically  aligned  nanocomposites  (VANs)  and  future  designs  of  new  three-phase  VAN  structures  with  complex  morphologies.
■590    ▼aSchool  code:  0183.
■650  4▼aTin
■650  4▼aThermodynamics
■650  4▼aNanocomposites
■650  4▼aBubbles
■650  4▼aHigh  temperature
■650  4▼aCopper
■650  4▼aPoint  defects
■650  4▼aEnergy
■650  4▼aHelium
■650  4▼aThin  films
■650  4▼aRadiation
■650  4▼aEmbryos
■650  4▼aSolid  solutions
■650  4▼aNuclear  reactors
■650  4▼aTemperature  effects
■650  4▼aPhase  transitions
■650  4▼aKinetics
■650  4▼aAtomic  physics
■650  4▼aCondensed  matter  physics
■650  4▼aHigh  temperature  physics
■650  4▼aMaterials  science
■650  4▼aNanotechnology
■650  4▼aNuclear  engineering
■690    ▼a0791
■690    ▼a0348
■690    ▼a0748
■690    ▼a0611
■690    ▼a0597
■690    ▼a0794
■690    ▼a0652
■690    ▼a0552
■71020▼aPurdue  University.
■7730  ▼tDissertations  Abstracts  International▼g86-04B.
■790    ▼a0183
■791    ▼aPh.D.
■792    ▼a2024
■793    ▼aEnglish
■85640▼uhttp://www.riss.kr/pdu/ddodLink.do?id=T17164299▼nKERIS▼z이  자료의  원문은  한국교육학술정보원에서  제공합니다.

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