메뉴 건너뛰기




Volumn 33, Issue 1-2, 2007, Pages 13-19

Nosé-Hoover nonequilibrium dynamics and statistical mechanics

Author keywords

Fractals; Irreversibility; Molecular dynamics; Thermostats

Indexed keywords

FRACTALS; GIBBS FREE ENERGY; ISOTHERMS; LYAPUNOV FUNCTIONS; STATISTICAL MECHANICS; THERMOSTATS;

EID: 33947418896     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020601059869     Document Type: Conference Paper
Times cited : (32)

References (38)
  • 1
    • 0003085787 scopus 로고
    • Isothermal molecular dynamics calculations for liquid salts
    • L. Woodcock. Isothermal molecular dynamics calculations for liquid salts. Chem. Phys. Lett., 10, 257 (1971).
    • (1971) Chem. Phys. Lett , vol.10 , pp. 257
    • Woodcock, L.1
  • 2
    • 26644442832 scopus 로고
    • Dense fluid shear viscosity via nonequilibrium molecular dynamics
    • W.T. Ashurst, W.G. Hoover. Dense fluid shear viscosity via nonequilibrium molecular dynamics. Phys. Rev. A, 11, 658 (1975).
    • (1975) Phys. Rev. A , vol.11 , pp. 658
    • Ashurst, W.T.1    Hoover, W.G.2
  • 3
    • 84943502952 scopus 로고
    • A molecular dynamics method for simulations in the canonical ensemble
    • S. Nose. A molecular dynamics method for simulations in the canonical ensemble. Mol Phys., 52, 255 (1984).
    • (1984) Mol Phys , vol.52 , pp. 255
    • Nose, S.1
  • 4
    • 34547809547 scopus 로고    scopus 로고
    • S. Nose, A. Unified. Formulation of the constant temperature molecular dynamics methods. J. Chem. Phys., 81, 511 (1984) Section IIB.
    • S. Nose, A. Unified. Formulation of the constant temperature molecular dynamics methods. J. Chem. Phys., 81, 511 (1984) Section IIB.
  • 5
    • 33947364437 scopus 로고    scopus 로고
    • S. Nose. Constant temperature molecular dynamics methods. Progress of Theoretical Physics Supplement In Molecular Dynamics Simulations, S. Nosé (Ed.), 103, pp. 1-46 (1991).
    • S. Nose. Constant temperature molecular dynamics methods. Progress of Theoretical Physics Supplement In Molecular Dynamics Simulations, S. Nosé (Ed.), 103, pp. 1-46 (1991).
  • 6
    • 36749107785 scopus 로고
    • Molecular dynamics simulations at constant pressure and/or temperature
    • H.C. Andersen. Molecular dynamics simulations at constant pressure and/or temperature. J. Chem. Phys., 72, 2384 (1980).
    • (1980) J. Chem. Phys , vol.72 , pp. 2384
    • Andersen, H.C.1
  • 7
    • 33947381441 scopus 로고    scopus 로고
    • W.G. Hoover. Adiabatic Hamiltonian deformation, linear response theory, and nonequilibrium molecular dynamics. In Systems Far From Equilibrium, Lecture Notes in Physics[Proceedings of the Sitges Conference on Statistical Mechanics, June 1980, Sitges, Spain.] H. Araki, J. Ehlers, K. Hepp, R. Rippenhahn, H.A. Weidenmüller, J. Zittartz (Eds.), 132. pp. 373-380, Springer-Verlag, New York (1980).
    • W.G. Hoover. Adiabatic Hamiltonian deformation, linear response theory, and nonequilibrium molecular dynamics. In Systems Far From Equilibrium, Lecture Notes in Physics[Proceedings of the Sitges Conference on Statistical Mechanics, June 1980, Sitges, Spain.] H. Araki, J. Ehlers, K. Hepp, R. Rippenhahn, H.A. Weidenmüller, J. Zittartz (Eds.), 132. pp. 373-380, Springer-Verlag, New York (1980).
  • 8
    • 0001538909 scopus 로고
    • Canonical dynamics: Equilibrium phase-space distributions
    • W.G. Hoover. Canonical dynamics: equilibrium phase-space distributions. Phys. Rev. A, 31, 1695 (1985).
    • (1985) Phys. Rev. A , vol.31 , pp. 1695
    • Hoover, W.G.1
  • 9
    • 0346615375 scopus 로고    scopus 로고
    • Mécanique de Nonéquilibre à la Californienne
    • Wm. G. Hoover. Mécanique de Nonéquilibre à la Californienne. Physica A, 240, 1 (1997).
    • (1997) Physica A , vol.240 , pp. 1
    • Hoover, W.G.1
  • 10
    • 0000493699 scopus 로고    scopus 로고
    • Hamiltonian reformulation and pairing of Lyapunov Exponents for Nosé-Hoover dynamics
    • C.P. Dettmann, G.P. Morriss. Hamiltonian reformulation and pairing of Lyapunov Exponents for Nosé-Hoover dynamics. Phys. Rev. E, 55, 3693 (1997).
    • (1997) Phys. Rev. E , vol.55 , pp. 3693
    • Dettmann, C.P.1    Morriss, G.P.2
  • 11
    • 0000424999 scopus 로고
    • Generalization of Nosé's isothermal molecular dynamics; NonHamiltonian dynamics for the canonical ensemble
    • W.G. Hoover. Generalization of Nosé's isothermal molecular dynamics; NonHamiltonian dynamics for the canonical ensemble. Phys. Rev. A, 40, 2814 (1989).
    • (1989) Phys. Rev. A , vol.40 , pp. 2814
    • Hoover, W.G.1
  • 12
    • 0001310497 scopus 로고
    • Extended-phase-space isothermal molecular dynamics: Canonical harmonic oscillator
    • R.G. Winkler. Extended-phase-space isothermal molecular dynamics: canonical harmonic oscillator. Phys. Rev. A, 45, 2250 (1992).
    • (1992) Phys. Rev. A , vol.45 , pp. 2250
    • Winkler, R.G.1
  • 14
    • 0001471515 scopus 로고    scopus 로고
    • The Nosé-Poincaré method for constant temperature molecular dynamics
    • S.D. Bond, B.J. Leimkuhler, B.B. Laird. The Nosé-Poincaré method for constant temperature molecular dynamics. J. Comput. Phys., 151, 114 (1999).
    • (1999) J. Comput. Phys , vol.151 , pp. 114
    • Bond, S.D.1    Leimkuhler, B.J.2    Laird, B.B.3
  • 15
    • 0001412505 scopus 로고
    • Nonequilibrium molecular dynamics via Gauss' principle of least constraint
    • D.J. Evans, W.G. Hoover, B.H. Failor, B. Moran, A.J.C. Ladd. Nonequilibrium molecular dynamics via Gauss' principle of least constraint. Phys. Rev. A, 28, 1016 (1983).
    • (1983) Phys. Rev. A , vol.28 , pp. 1016
    • Evans, D.J.1    Hoover, W.G.2    Failor, B.H.3    Moran, B.4    Ladd, A.J.C.5
  • 16
    • 0347360414 scopus 로고    scopus 로고
    • Time reversibility in nonequilibrium thermomechanics
    • Wm. G. Hoover. Time reversibility in nonequilibrium thermomechanics. Physica D, 112, 225 (1998).
    • (1998) Physica D , vol.112 , pp. 225
    • Hoover, W.G.1
  • 17
    • 0003988570 scopus 로고
    • H. Araki, J. Ehlers, K. Hepp, R. Rippenhahn, H.A. Weidenmüller, J. Zittartz Eds, Springer-Verlag, New York
    • Wm.G. Hoover. Molecular Dynamics, H. Araki, J. Ehlers, K. Hepp, R. Rippenhahn, H.A. Weidenmüller, J. Zittartz (Eds.), 258, Springer-Verlag, New York (1986).
    • (1986) Molecular Dynamics , pp. 258
    • Hoover, W.G.1
  • 18
    • 33947359925 scopus 로고    scopus 로고
    • T.M. Leete. The Hamiltonian dynamics of constrained Lagrangian systems. [Thesis, West Virginia University] (1979); W.G. Hoover, Atomistic nonequilibrium computer simulations. Physica A, 118, 111 (1983).
    • T.M. Leete. The Hamiltonian dynamics of constrained Lagrangian systems. [Thesis, West Virginia University] (1979); W.G. Hoover, Atomistic nonequilibrium computer simulations. Physica A, 118, 111 (1983).
  • 21
    • 0001708870 scopus 로고
    • Reversible mechanics and time's arrow
    • W.G. Hoover. Reversible mechanics and time's arrow. Phys. Rev. A, 37, 252 (1988).
    • (1988) Phys. Rev. A , vol.37 , pp. 252
    • Hoover, W.G.1
  • 22
    • 1842799739 scopus 로고
    • Canonical dynamics of the Nose oscillator: Stability, order, and chaos
    • H.A. Posch, W.G. Hoover, F.J. Vesely. Canonical dynamics of the Nose oscillator: stability, order, and chaos. Phys. Rev. A, 33, 4253 (1986).
    • (1986) Phys. Rev. A , vol.33 , pp. 4253
    • Posch, H.A.1    Hoover, W.G.2    Vesely, F.J.3
  • 23
    • 0000999517 scopus 로고    scopus 로고
    • Kinetic moments method for the canonical ensemble distribution
    • Wm. G. Hoover, B.L. Holian. Kinetic moments method for the canonical ensemble distribution. Phys. Lett. A, 211, 253 (1996).
    • (1996) Phys. Lett. A , vol.211 , pp. 253
    • Hoover, W.G.1    Holian, B.L.2
  • 24
    • 36449000062 scopus 로고
    • Nose-Hoover chains - the canonical ensemble via continuous dynamics
    • C.J. Martyna, M.L. Klein, M. Tuckerman. Nose-Hoover chains - the canonical ensemble via continuous dynamics. J. Chem. Phys., 97, 2635 (1992).
    • (1992) J. Chem. Phys , vol.97 , pp. 2635
    • Martyna, C.J.1    Klein, M.L.2    Tuckerman, M.3
  • 25
    • 85196166827 scopus 로고    scopus 로고
    • Wm.G. Hoover, C.G. Hoover, H.A. Posch, J.A. Codelli. The second law of thermodynamics and multifractal distribution functions: bin counting, pair correlations, and the [definite failure of the] Kaplan-Yorke conjecture. Commun. Nonlinear Sci. Num. Simul., 12, 214 (2007) (Available online 7 April 2005.).
    • Wm.G. Hoover, C.G. Hoover, H.A. Posch, J.A. Codelli. The second law of thermodynamics and multifractal distribution functions: bin counting, pair correlations, and the [definite failure of the] Kaplan-Yorke conjecture. Commun. Nonlinear Sci. Num. Simul., 12, 214 (2007) (Available online 7 April 2005.).
  • 26
    • 0036851029 scopus 로고    scopus 로고
    • Remarks on NonHamiltonian statistical mechanics: Lyapunov exponents and phase-space dimensionality loss
    • Wm. G. Hoover, H.A. Posch, K. Aoki, D. Kusnezov. Remarks on NonHamiltonian statistical mechanics: Lyapunov exponents and phase-space dimensionality loss. Europhys. Lett., 60, 337 (2002).
    • (2002) Europhys. Lett , vol.60 , pp. 337
    • Hoover, W.G.1    Posch, H.A.2    Aoki, K.3    Kusnezov, D.4
  • 31
    • 4243754128 scopus 로고    scopus 로고
    • Nonequilibrium equality for free energy differences
    • C. Jarzynski. Nonequilibrium equality for free energy differences. Phys. Rev. Lett., 78, 2690 (1997).
    • (1997) Phys. Rev. Lett , vol.78 , pp. 2690
    • Jarzynski, C.1
  • 32
    • 17444372741 scopus 로고    scopus 로고
    • Biased sampling of nonequilibrium trajectories: Can fast switching simulations outperform conventional free energy calculation methods?
    • H. Oberhofer, C. Dellago, P.L. Geissler. Biased sampling of nonequilibrium trajectories: can fast switching simulations outperform conventional free energy calculation methods? J. Phys. Chem. B, 109, 6902 (2005).
    • (2005) J. Phys. Chem. B , vol.109 , pp. 6902
    • Oberhofer, H.1    Dellago, C.2    Geissler, P.L.3
  • 33
    • 17444396742 scopus 로고    scopus 로고
    • Practical applicability of the Jarzynski relation in statistical mechanics: A pedagogical example
    • R.C. Lua, A.Y. Grosberg. Practical applicability of the Jarzynski relation in statistical mechanics: a pedagogical example. J. Phys. Chem. B, 109, 6805 (2005).
    • (2005) J. Phys. Chem. B , vol.109 , pp. 6805
    • Lua, R.C.1    Grosberg, A.Y.2
  • 35
    • 0002715822 scopus 로고
    • Resolution of Loschmidt's paradox: The origin of irreversible behavior in reversible atomistic dynamics
    • B.L. Holian, W.G. Hoover, H.A. Posch. Resolution of Loschmidt's paradox: the origin of irreversible behavior in reversible atomistic dynamics. Phys. Rev Lett., 59, 10 (1987).
    • (1987) Phys. Rev Lett , vol.59 , pp. 10
    • Holian, B.L.1    Hoover, W.G.2    Posch, H.A.3
  • 36
    • 0000413018 scopus 로고
    • Time-reversible equilibrium and nonequilibrium isothermal-isobaric simulations with centered-difference Stoermer algorithms
    • B.L. Holian, A.J. De Groot, Wm.G. Hoover, C.G. Hoover. Time-reversible equilibrium and nonequilibrium isothermal-isobaric simulations with centered-difference Stoermer algorithms. Phys. Rev. A, 41, 4552 (1990).
    • (1990) Phys. Rev. A , vol.41 , pp. 4552
    • Holian, B.L.1    De Groot, A.J.2    Hoover, W.G.3    Hoover, C.G.4
  • 37
    • 0035585460 scopus 로고    scopus 로고
    • An improved symplectic integrator for Nosé-Poincaré thermostat
    • S. Nosé. An improved symplectic integrator for Nosé-Poincaré thermostat. J. Phys. Soc. Jpn., 70, 75 (2001).
    • (2001) J. Phys. Soc. Jpn , vol.70 , pp. 75
    • Nosé, S.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.