Description of the model
Nosé–Hoover thermostat is used to keep the temperature constant in the system. Equations of motion of the thermostated harmonic oscillator have the form:
- is the eigen frequency
- is the initial kinetic temperature of the system
- is the current kinetic temperature of the system
- is the velocity
- is the relaxation time
- - scale for
- - scale of stiffness for
Phase-space trajectory of thermostated harmonic oscillator
The plot shows the trajectory of the thermostated harmonic oscillator in the phase-space. The equations of motion are solved numerically using leap-frog integration scheme. The followng three parameters can be changed by the user:
1) tau =is the relaxation time
2) stiff =is the stiffness
3) scale is a scale parameter for a plot
The last slider allows to choose the number of pre-configured experiment.
- S. Nosé (1984). "A unified formulation of the constant temperature molecular-dynamics methods". J. Chem. Phys. 81 (1): 511–519.
- W.G. Hoover, (1985). "Canonical dynamics: Equilibrium phase-space distributions". Phys. Rev. A, 31 (3): 1695–1697.
- D.J. Evans, B.L. Holian (1985) The Nose–Hoover thermostat. J. Chem. Phys. 83, 4069.