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Volumn 51, Issue 9, 2005, Pages 2391-2395

Structure, dynamics and thermodynamics in complex systems: Theoretical challenges and opportunities

Author keywords

[No Author keywords available]

Indexed keywords

CONFERENCE PROCEEDING; THERMODYNAMICS;

EID: 26944442041     PISSN: 00011541     EISSN: None     Source Type: Journal    
DOI: 10.1002/aic.10657     Document Type: Conference Paper
Times cited : (14)

References (56)
  • 1
    • 0036140759 scopus 로고    scopus 로고
    • Field-theoretic computer simulation methods for polymers and complex fluids
    • Fredrickson GH, Ganesan V, Drolet F. Field-theoretic computer simulation methods for polymers and complex fluids. Macromolecules. 2002;35:16.
    • (2002) Macromolecules , vol.35 , pp. 16
    • Fredrickson, G.H.1    Ganesan, V.2    Drolet, F.3
  • 2
    • 0042882142 scopus 로고    scopus 로고
    • Parallel algorithm for numerical self-consistent field theory simulations of block copolymer structure
    • Sides SW, Fredrickson GH. Parallel algorithm for numerical self-consistent field theory simulations of block copolymer structure. Polymer. 2003;44:5859.
    • (2003) Polymer , vol.44 , pp. 5859
    • Sides, S.W.1    Fredrickson, G.H.2
  • 3
    • 3042610258 scopus 로고    scopus 로고
    • Nanoparticles in a diblock copolymer background: The potential of mean force
    • Reister E, Fredrickson GH. Nanoparticles in a diblock copolymer background: The potential of mean force. Macromolecules. 2004;37:4718.
    • (2004) Macromolecules , vol.37 , pp. 4718
    • Reister, E.1    Fredrickson, G.H.2
  • 4
    • 0034224713 scopus 로고    scopus 로고
    • Towards a quantification of disorder in materials: Distinguishing equilibrium and glassy sphere packings
    • Truskett TM, Torquato S, Debenedetti PG. Towards a quantification of disorder in materials: Distinguishing equilibrium and glassy sphere packings. Phys Rev E. 2000;62:993.
    • (2000) Phys Rev E , vol.62 , pp. 993
    • Truskett, T.M.1    Torquato, S.2    Debenedetti, P.G.3
  • 5
    • 0001855505 scopus 로고    scopus 로고
    • Theory of supercooled liquids and glasses: Energy landscape and statistical geometry perspectives
    • Debenedetti PG, Stillinger FH, Truskett TM, Lewis CP. Theory of supercooled liquids and glasses: Energy landscape and statistical geometry perspectives. Adv in Chem Eng. 2001;28,:22.
    • (2001) Adv in Chem Eng , vol.28 , pp. 22
    • Debenedetti, P.G.1    Stillinger, F.H.2    Truskett, T.M.3    Lewis, C.P.4
  • 8
    • 0035905815 scopus 로고    scopus 로고
    • Relationship between structural order and the anomalies of liquid water
    • Errington JR, Debenedetti PG. Relationship between structural order and the anomalies of liquid water. Nature. 2001;409:318.
    • (2001) Nature , vol.409 , pp. 318
    • Errington, J.R.1    Debenedetti, P.G.2
  • 12
    • 0037155386 scopus 로고    scopus 로고
    • Critical length and time scales during the initial stages of nucleation in polymer blends
    • Lefebvre AA, Lee JH, Balsara NP. Critical length and time scales during the initial stages of nucleation in polymer blends. J Chem Phys. 2002;116:4777.
    • (2002) J Chem Phys , vol.116 , pp. 4777
    • Lefebvre, A.A.1    Lee, J.H.2    Balsara, N.P.3
  • 13
    • 0037113107 scopus 로고    scopus 로고
    • Determination of critical length scales and the limit of metastability in phase separating polymer blends
    • Lefebvre AA, Lee JH, Balsara NP, Vaidyanathan C. Determination of critical length scales and the limit of metastability in phase separating polymer blends. J Chem Phys. 2002;117:9063.
    • (2002) J Chem Phys , vol.117 , pp. 9063
    • Lefebvre, A.A.1    Lee, J.H.2    Balsara, N.P.3    Vaidyanathan, C.4
  • 14
    • 0037113148 scopus 로고    scopus 로고
    • Fluctuation mediated phase separation in polymer blends near the limit of metastability
    • Lefebvre AA, Lee JH, Balsara NP, Vaidyanathan C. Fluctuation mediated phase separation in polymer blends near the limit of metastability. J Chem Phys. 2002;117:9074.
    • (2002) J Chem Phys , vol.117 , pp. 9074
    • Lefebvre, A.A.1    Lee, J.H.2    Balsara, N.P.3    Vaidyanathan, C.4
  • 15
    • 2542421697 scopus 로고    scopus 로고
    • Does conventional nucleation occur during phase separation in polymer blends?
    • Balsara NP, Rappl TJ, Lefebvre AA. Does conventional nucleation occur during phase separation in polymer blends? J Polym Sci B: Polym Phys. 2004;42:1793.
    • (2004) J Polym Sci B: Polym Phys , vol.42 , pp. 1793
    • Balsara, N.P.1    Rappl, T.J.2    Lefebvre, A.A.3
  • 16
    • 8344242992 scopus 로고    scopus 로고
    • Smooth transition from metastability to instability in phase separating protein solutions
    • Shah M, Galkin O, Vekilov PG. Smooth transition from metastability to instability in phase separating protein solutions. J Chem Phys. 2004;121:7505.
    • (2004) J Chem Phys , vol.121 , pp. 7505
    • Shah, M.1    Galkin, O.2    Vekilov, P.G.3
  • 17
    • 0036469477 scopus 로고    scopus 로고
    • Nucleation in polymer blends: A self-consistent field study
    • Wood SM, Wang Z-G. Nucleation in polymer blends: A self-consistent field study. J Chem Phys. 2002;116:2289.
    • (2002) J Chem Phys , vol.116 , pp. 2289
    • Wood, S.M.1    Wang, Z.-G.2
  • 18
    • 0036640579 scopus 로고    scopus 로고
    • Concentration fluctuation in binary polymer blends: χ parameter, spinodal and Ginzburg criterion
    • Wang Z-G. Concentration fluctuation in binary polymer blends: χ parameter, spinodal and Ginzburg criterion. J Chem Phys. 2002;117:481.
    • (2002) J Chem Phys , vol.117 , pp. 481
    • Wang, Z.-G.1
  • 19
    • 4244088958 scopus 로고    scopus 로고
    • Viscoelastic model of phase separation
    • Tanaka H. Viscoelastic model of phase separation. Phys Rev E. 1997;56:4451.
    • (1997) Phys Rev E , vol.56 , pp. 4451
    • Tanaka, H.1
  • 20
    • 0000336436 scopus 로고    scopus 로고
    • Viscoelastic phase separation
    • Tanaka H. Viscoelastic phase separation. J Phys: Condens Matter. 2000;12:R207.
    • (2000) J Phys: Condens Matter , vol.12
    • Tanaka, H.1
  • 21
    • 2742515916 scopus 로고    scopus 로고
    • Sampling ensembles of deterministic transition pathways
    • Bolhuis PG, Dellago C, Chandler D. Sampling ensembles of deterministic transition pathways. Faraday Discuss. 1999;110:421.
    • (1999) Faraday Discuss , vol.110 , pp. 421
    • Bolhuis, P.G.1    Dellago, C.2    Chandler, D.3
  • 22
    • 0034321137 scopus 로고    scopus 로고
    • Transition path sampling of cavitation between molecular scale solvophobic surfaces
    • Bolhuis PG, Chandler D. Transition path sampling of cavitation between molecular scale solvophobic surfaces. J Chem Phys. 2000;113:8154.
    • (2000) J Chem Phys , vol.113 , pp. 8154
    • Bolhuis, P.G.1    Chandler, D.2
  • 23
    • 0001374686 scopus 로고    scopus 로고
    • Kinetic pathways of ion pair dissociation in water
    • Geissler PL, Dellago C, Chandler D. Kinetic pathways of ion pair dissociation in water. J Phys Chem B. 1999;103:3706.
    • (1999) J Phys Chem B , vol.103 , pp. 3706
    • Geissler, P.L.1    Dellago, C.2    Chandler, D.3
  • 24
    • 11244289252 scopus 로고    scopus 로고
    • Kinetic Pathways of beta-hairpin (Un)folding in explicit solvent
    • Bolhuis PG. Kinetic Pathways of beta-hairpin (Un)folding in explicit solvent. Biophys J. 2005;88:50.
    • (2005) Biophys J , vol.88 , pp. 50
    • Bolhuis, P.G.1
  • 25
    • 0035826241 scopus 로고    scopus 로고
    • Supercooled liquids and the glass transition
    • Debenedetti PG, Stillinger FH. Supercooled liquids and the glass transition. Nature. 2001;410:259.
    • (2001) Nature , vol.410 , pp. 259
    • Debenedetti, P.G.1    Stillinger, F.H.2
  • 26
    • 0002055106 scopus 로고    scopus 로고
    • Spatially heterogeneous dynamics in supercooled liquids
    • Ediger MD. Spatially heterogeneous dynamics in supercooled liquids. Annu Rev Phys Chem. 2000;51:99.
    • (2000) Annu Rev Phys Chem , vol.51 , pp. 99
    • Ediger, M.D.1
  • 27
    • 21644481172 scopus 로고    scopus 로고
    • What don't we know?
    • Kennedy D, Norman C. What Don't We Know? Science. 2005;309:75.
    • (2005) Science , vol.309 , pp. 75
    • Kennedy, D.1    Norman, C.2
  • 28
    • 33947442893 scopus 로고
    • The Nature of the glassy state and the behavior of liquids at low temperatures
    • Kauzmann W. The Nature of the glassy state and the behavior of liquids at low temperatures. Chem Rev. 1948;43:219.
    • (1948) Chem Rev , vol.43 , pp. 219
    • Kauzmann, W.1
  • 30
    • 0038398772 scopus 로고    scopus 로고
    • Thermodynamics of glasses: A first principles computation
    • Mézard M, Parisi G. Thermodynamics of glasses: A first principles computation. Phys Rev Lett. 1999;82:747.
    • (1999) Phys Rev Lett , vol.82 , pp. 747
    • Mézard, M.1    Parisi, G.2
  • 31
    • 0034724414 scopus 로고    scopus 로고
    • Fragilities of liquids predicted from the random first order transition theory of glasses
    • Xia X, Wolynes PG. Fragilities of liquids predicted from the random first order transition theory of glasses. Proc Nat Acad Sci. 2000;97:2990.
    • (2000) Proc Nat Acad Sci , vol.97 , pp. 2990
    • Xia, X.1    Wolynes, P.G.2
  • 32
    • 0037978772 scopus 로고    scopus 로고
    • Dynamics of glass-forming liquids. V. On the link between molecular dynamics and configurational entropy
    • Richert R, Angell, CA. Dynamics of glass-forming liquids. V. On the link between molecular dynamics and configurational entropy. J Chem Phys. 1998;108:9016.
    • (1998) J Chem Phys , vol.108 , pp. 9016
    • Richert, R.1    Angell, C.A.2
  • 33
    • 0347936294 scopus 로고
    • On the temperature dependence of cooperative relaxation properties in glass-forming liquids
    • Adam G, Gibbs JH. On the temperature dependence of cooperative relaxation properties in glass-forming liquids. J Chem Phys. 1965;43:139.
    • (1965) J Chem Phys , vol.43 , pp. 139
    • Adam, G.1    Gibbs, J.H.2
  • 34
    • 0004986545 scopus 로고
    • Relaxation processes in supercooled liquids
    • Götze W, Sjögren L. Relaxation processes in supercooled liquids. Rep Prog Phys. 1992;55:241.
    • (1992) Rep Prog Phys , vol.55 , pp. 241
    • Götze, W.1    Sjögren, L.2
  • 35
    • 0042191889 scopus 로고    scopus 로고
    • Coarse-grained microscopic model of glass formers
    • Garrahan JP, Chandler D. Coarse-grained microscopic model of glass formers. Proc Nat Acad Sci. 2003;100;9710.
    • (2003) Proc Nat Acad Sci , vol.100 , pp. 9710
    • Garrahan, J.P.1    Chandler, D.2
  • 38
    • 11344259128 scopus 로고
    • A topographic view of supercooled liquids and glass formation
    • Stillinger FH. A topographic view of supercooled liquids and glass formation. Science. 1995;267;1935.
    • (1995) Science , vol.267 , pp. 1935
    • Stillinger, F.H.1
  • 39
    • 0032508044 scopus 로고    scopus 로고
    • Signatures of distinct dynamic regimes in the energy landscape of a glass-forming liquid
    • Sastry S, Debenedetti PG, Stillinger FH. Signatures of distinct dynamic regimes in the energy landscape of a glass-forming liquid. Nature. 1998;393:554.
    • (1998) Nature , vol.393 , pp. 554
    • Sastry, S.1    Debenedetti, P.G.2    Stillinger, F.H.3
  • 40
    • 0345699523 scopus 로고    scopus 로고
    • Landscapes, funnels, glasses, and folding: From metaphor to software
    • Wolynes PG. Landscapes, funnels, glasses, and folding: From metaphor to software. Proc Amer Phil Soc. 2001;145;555.
    • (2001) Proc Amer Phil Soc , vol.145 , pp. 555
    • Wolynes, P.G.1
  • 41
    • 21344453991 scopus 로고    scopus 로고
    • Potential energy landscape description of supercooled liquids and glasses
    • P05015
    • Sciortino F. Potential energy landscape description of supercooled liquids and glasses. J Stat Mech Theory and Exp. P05015; 2005.
    • (2005) J Stat Mech Theory and Exp
    • Sciortino, F.1
  • 43
    • 37649027968 scopus 로고    scopus 로고
    • Thermodynamics and the glass transition in model energy landscapes
    • Shell MS, Debenedetti PG. Thermodynamics and the glass transition in model energy landscapes. Phys Rev E. 2004;69:051102.
    • (2004) Phys Rev E , vol.69 , pp. 051102
    • Shell, M.S.1    Debenedetti, P.G.2
  • 44
    • 37649027803 scopus 로고    scopus 로고
    • Hopping in a supercooled Lennard-Jones liquid: Metabasins, waiting time distribution, and diffusion
    • Doliwa B, Heuer A. Hopping in a supercooled Lennard-Jones liquid: Metabasins, waiting time distribution, and diffusion. Phys Rev E. 2003;67:030501.
    • (2003) Phys Rev E , vol.67 , pp. 030501
    • Doliwa, B.1    Heuer, A.2
  • 45
    • 1442355692 scopus 로고    scopus 로고
    • Saddles in the energy landscape: Extensivity and thermodynamic formalism
    • Shell MS, Debenedetti PG, Panagiotopoulos AZ. Saddles in the energy landscape: extensivity and thermodynamic formalism. Phys Rev Lett. 2004;92:035506.
    • (2004) Phys Rev Lett , vol.92 , pp. 035506
    • Shell, M.S.1    Debenedetti, P.G.2    Panagiotopoulos, A.Z.3
  • 46
    • 4243754128 scopus 로고    scopus 로고
    • Nonequilibrium equality for free energy differences
    • Jarzynski C. Nonequilibrium equality for free energy differences. Phys Rev Lett. 1997;78:2690.
    • (1997) Phys Rev Lett , vol.78 , pp. 2690
    • Jarzynski, C.1
  • 47
    • 0037036070 scopus 로고    scopus 로고
    • Equilibrium information from nonequilibrium measurements in an experimental test of Jarzynski's equality
    • Liphardt J, Dumont S, Smith SB, Tinoco I, Bustamante C. Equilibrium information from nonequilibrium measurements in an experimental test of Jarzynski's equality. Science. 2002;296:1832.
    • (2002) Science , vol.296 , pp. 1832
    • Liphardt, J.1    Dumont, S.2    Smith, S.B.3    Tinoco, I.4    Bustamante, C.5
  • 48
    • 4244116139 scopus 로고    scopus 로고
    • Equilibrium free energy differences from nonequilibrium measurements: A master-equation approach
    • Jarzynski C. Equilibrium free energy differences from nonequilibrium measurements: a master-equation approach. Phys Rev E. 1997;56:5018.
    • (1997) Phys Rev E , vol.56 , pp. 5018
    • Jarzynski, C.1
  • 49
    • 0000765761 scopus 로고    scopus 로고
    • Entropy production fluctuation theorem and the nonequilibrium work relation for free energy differences
    • Crooks GE. Entropy production fluctuation theorem and the nonequilibrium work relation for free energy differences. Phys Rev E. 1999;60:2721.
    • (1999) Phys Rev E , vol.60 , pp. 2721
    • Crooks, G.E.1
  • 50
    • 0000186593 scopus 로고    scopus 로고
    • Path-ensemble averages in systems driven far from equilibrium
    • Crooks GE. Path-ensemble averages in systems driven far from equilibrium. Phys Rev E. 2000;61:2361.
    • (2000) Phys Rev E , vol.61 , pp. 2361
    • Crooks, G.E.1
  • 51
    • 42749105341 scopus 로고    scopus 로고
    • Using overlap and funnel sampling to obtain accurate free energies from nonequilibrium work measurements
    • Lu N,Wu D,Woolf TB, Kofke DA. Using overlap and funnel sampling to obtain accurate free energies from nonequilibrium work measurements. Phys Rev E. 2004;69:057702.
    • (2004) Phys Rev E , vol.69 , pp. 057702
    • Lu, N.1    Wu, D.2    Woolf, T.B.3    Kofke, D.A.4
  • 52
    • 37649029489 scopus 로고    scopus 로고
    • Asymmetric bias in free-energy perturbation measurements using two Hamiltonian-based models
    • Wu D, Kofke DA. Asymmetric bias in free-energy perturbation measurements using two Hamiltonian-based models. Phys Rev E. 2004;70:066702.
    • (2004) Phys Rev E , vol.70 , pp. 066702
    • Wu, D.1    Kofke, D.A.2
  • 53
    • 9744253777 scopus 로고    scopus 로고
    • Model for small-sample bias of free energy calculations applied to Gaussian-distributed non-equilibrium work measurements
    • Wu D, Kofke DA. Model for small-sample bias of free energy calculations applied to Gaussian-distributed non-equilibrium work measurements. J Chem Phys. 2004;121:8742.
    • (2004) J Chem Phys , vol.121 , pp. 8742
    • Wu, D.1    Kofke, D.A.2


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