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Topological and Cycle Flux Analysis of Non-Equilibrium Particle Transportation
Topological and Cycle Flux Analysis of Non-Equilibrium Particle Transportation
Topological and Cycle Flux Analysis of Non-Equilibrium Particle Transportation

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자료유형  
 학위논문 서양
최종처리일시  
20260202103823
ISBN  
9798291558218
DDC  
541
저자명  
Slowey, Chase N.
서명/저자  
Topological and Cycle Flux Analysis of Non-Equilibrium Particle Transportation
발행사항  
[Sl] : The University of North Carolina at Chapel Hill, 2025
발행사항  
Ann Arbor : ProQuest Dissertations & Theses, 2025
형태사항  
113 p
주기사항  
Source: Dissertations Abstracts International, Volume: 87-02, Section: B.
주기사항  
Advisor: Lu, Zhiyue.
학위논문주기  
Thesis (Ph.D.)--The University of North Carolina at Chapel Hill, 2025.
초록/해제  
요약Passive transport through narrow channels often defies equilibrium-based intuition: how can a simple, energetically flat "tube" spontaneously push one species against its concentration gradient, or entirely exclude one species while allowing another-without any active gating or ATP? In this dissertation, we address that question by combining nonequilibrium stochastic-thermodynamic methods, graph-theoretic cycle-flux analysis, and eigenvalue-braid topology to reveal a purely entropic mechanism for ratchet-like and infinitely selective transportation.We begin by formulating a minimal two-species exclusion-process model on a one-dimensional lattice ("particle tube"), in which each site may be occupied by at most one 'A' or 'B' type particle. Without any binding energies or energetic biases, this "inert" tube nevertheless exhibits distinct transport regimes-"dud" modes (both species flow down their concentration gradients), "ratchet" mode (A flows down its concentration gradient while B flows up or vice versa), and lines of infinite selectivity (A flows through the tube, while B's net current vanishes). By mapping the ([A]L, [B]L, [A]R, & [B]R) parameter space for various tube lengths, we show that ratchet regions grow and "sloppy-gear" efficiency increases with tube length, confirming that stochastic interlocking of many particles can force one particle type up its concentration gradient by having the other particle type flow down its concentration gradient.To test whether these phenomena correspond to a true dynamical phase transition, we apply the large-deviation principle. We construct tilted probability transition rate matrices for 'A' and 'B' type particle currents (individually and jointly) and compute their scaled cumulant generating functions and rate functions. In all regimes: dud, ratchet, transition boundaries, and infinite-selectivity lines-both the scaled cumulant generating functions and rate functions remain analytic and unimodal, precluding a first-order dynamical phase transition.We then employ eigenvalue-braid analysis on similarly tilted probability transition rate matrices to detect subtle eigenspectrum rearrangements. Several braid crossings appear; some coincide with ratchet mode or infinite-selectivity boundaries-indicating that spectral topology does drive macroscopic mode changes-while others do not correspond directly to any observed transport regime.Finally, we use the generalized matrix-tree theorem to decompose steady-state fluxes into one-way cycle currents. Enumerating all fundamental cycles and assigning each a 'topological tuple' (A,B), we identify which cycles dominate in each regime. At the ratchet boundary, joint (1,1) cycles overtake pure (1,0) and (0,-1) cycles, generating a net counter-gradient 'B' type particle flow. Similarly, infinite selectivity occurs when all 'B'-carrying cycles cancel while 'A'-only cycles remain positive. This cycle analysis also explains the 'mystery' braids observed in the topological analysis. A one-site toy model further confirms that these ratchet and infinite-selectivity mechanisms require multiple sites and cycles.Together, these results demonstrate that passive channels can achieve Maxwell-Demon-like ratchet and infinitely selective transport solely through entropic cycle-flux coupling. This unified framework-combining large deviation principle to rule out phase transitions, eigenvalue braiding to probe spectral features, and cycle-flux decomposition to pinpoint the underlying graph-theoretic origin-provides new understanding in the transportation of particles through narrow media.
일반주제명  
Physical chemistry
일반주제명  
Chemistry
일반주제명  
Statistical physics
일반주제명  
Theoretical physics
키워드  
Particle transportation
키워드  
Non-equilibrium
키워드  
Cycle flux
키워드  
Infinite selectivity
키워드  
Stochastic-thermodynamic methods
기타저자  
The University of North Carolina at Chapel Hill Chemistry
기본자료저록  
Dissertations Abstracts International. 87-02B.
전자적 위치 및 접속  
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MARC

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■040    ▼aMiAaPQ▼cMiAaPQ
■0820  ▼a541
■1001  ▼aSlowey,  Chase  N.
■24510▼aTopological  and  Cycle  Flux  Analysis  of  Non-Equilibrium  Particle  Transportation
■260    ▼a[Sl]▼bThe  University  of  North  Carolina  at  Chapel  Hill▼c2025
■260  1▼aAnn  Arbor▼bProQuest  Dissertations  &  Theses▼c2025
■300    ▼a113  p
■500    ▼aSource:  Dissertations  Abstracts  International,  Volume:  87-02,  Section:  B.
■500    ▼aAdvisor:  Lu,  Zhiyue.
■5021  ▼aThesis  (Ph.D.)--The  University  of  North  Carolina  at  Chapel  Hill,  2025.
■520    ▼aPassive  transport  through  narrow  channels  often  defies  equilibrium-based  intuition:  how  can  a  simple,  energetically  flat  "tube"  spontaneously  push  one  species  against  its  concentration  gradient,  or  entirely  exclude  one  species  while  allowing  another-without  any  active  gating  or  ATP?  In  this  dissertation,  we  address  that  question  by  combining  nonequilibrium  stochastic-thermodynamic  methods,  graph-theoretic  cycle-flux  analysis,  and  eigenvalue-braid  topology  to  reveal  a  purely  entropic  mechanism  for  ratchet-like  and  infinitely  selective  transportation.We  begin  by  formulating  a  minimal  two-species  exclusion-process  model  on  a  one-dimensional  lattice  ("particle  tube"),  in  which  each  site  may  be  occupied  by  at  most  one  'A'  or  'B'  type  particle.  Without  any  binding  energies  or  energetic  biases,  this  "inert"  tube  nevertheless  exhibits  distinct  transport  regimes-"dud"  modes  (both  species  flow  down  their  concentration  gradients),  "ratchet"  mode  (A  flows  down  its  concentration  gradient  while  B  flows  up  or  vice  versa),  and  lines  of  infinite  selectivity  (A  flows  through  the  tube,  while  B's  net  current  vanishes).  By  mapping  the  ([A]L,  [B]L,  [A]R,  &  [B]R)  parameter  space  for  various  tube  lengths,  we  show  that  ratchet  regions  grow  and  "sloppy-gear"  efficiency  increases  with  tube  length,  confirming  that  stochastic  interlocking  of  many  particles  can  force  one  particle  type  up  its  concentration  gradient  by  having  the  other  particle  type  flow  down  its  concentration  gradient.To  test  whether  these  phenomena  correspond  to  a  true  dynamical  phase  transition,  we  apply  the  large-deviation  principle.  We  construct  tilted  probability  transition  rate  matrices  for  'A'  and  'B'  type  particle  currents  (individually  and  jointly)  and  compute  their  scaled  cumulant  generating  functions  and  rate  functions.  In  all  regimes:  dud,  ratchet,  transition  boundaries,  and  infinite-selectivity  lines-both  the  scaled  cumulant  generating  functions  and  rate  functions  remain  analytic  and  unimodal,  precluding  a  first-order  dynamical  phase  transition.We  then  employ  eigenvalue-braid  analysis  on  similarly  tilted  probability  transition  rate  matrices  to  detect  subtle  eigenspectrum  rearrangements.  Several  braid  crossings  appear;  some  coincide  with  ratchet  mode  or  infinite-selectivity  boundaries-indicating  that  spectral  topology  does  drive  macroscopic  mode  changes-while  others  do  not  correspond  directly  to  any  observed  transport  regime.Finally,  we  use  the  generalized  matrix-tree  theorem  to  decompose  steady-state  fluxes  into  one-way  cycle  currents.  Enumerating  all  fundamental  cycles  and  assigning  each  a  'topological  tuple'  (A,B),  we  identify  which  cycles  dominate  in  each  regime.  At  the  ratchet  boundary,  joint  (1,1)  cycles  overtake  pure  (1,0)  and  (0,-1)  cycles,  generating  a  net  counter-gradient  'B'  type  particle  flow.  Similarly,  infinite  selectivity  occurs  when  all  'B'-carrying  cycles  cancel  while  'A'-only  cycles  remain  positive.  This  cycle  analysis  also  explains  the  'mystery'  braids  observed  in  the  topological  analysis.  A  one-site  toy  model  further  confirms  that  these  ratchet  and  infinite-selectivity  mechanisms  require  multiple  sites  and  cycles.Together,  these  results  demonstrate  that  passive  channels  can  achieve  Maxwell-Demon-like  ratchet  and  infinitely  selective  transport  solely  through  entropic  cycle-flux  coupling.  This  unified  framework-combining  large  deviation  principle  to  rule  out  phase  transitions,  eigenvalue  braiding  to  probe  spectral  features,  and  cycle-flux  decomposition  to  pinpoint  the  underlying  graph-theoretic  origin-provides  new  understanding  in  the  transportation  of  particles  through  narrow  media.
■590    ▼aSchool  code:  0153.
■650  4▼aPhysical  chemistry
■650  4▼aChemistry
■650  4▼aStatistical  physics
■650  4▼aTheoretical  physics
■653    ▼aParticle  transportation
■653    ▼aNon-equilibrium
■653    ▼aCycle  flux
■653    ▼aInfinite  selectivity
■653    ▼aStochastic-thermodynamic  methods
■690    ▼a0494
■690    ▼a0753
■690    ▼a0217
■690    ▼a0485
■71020▼aThe  University  of  North  Carolina  at  Chapel  Hill▼bChemistry.
■7730  ▼tDissertations  Abstracts  International▼g87-02B.
■790    ▼a0153
■791    ▼aPh.D.
■792    ▼a2025
■793    ▼aEnglish
■85640▼uhttp://www.riss.kr/pdu/ddodLink.do?id=T17358265▼nKERIS▼z이  자료의  원문은  한국교육학술정보원에서  제공합니다.

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