Stochastic and dynamic properties of molecular dynamics systems: Simple liquids, plasma and electrolytes, polymers

Norman, G. É.; Stegaĭlov, V. V.

doi:10.1016/s0010-4655(02)00376-4

Cited by 22 publications

(14 citation statements)

References 28 publications

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“…Due to this instability there appears a dynamic memory time t m which limits time interval when the Caushy problem is valid for MD numerical integration. For times greater than t m MD trajectory 'forgets' its initial conditions and ceases to correlate with the hypothetical Newtonian trajectory started from the same initial conditions [34][35][36]. We expect that the duration of ensemble-dependent part of the relaxation correlates with t m .…”

Section: Ensemble-dependencementioning

confidence: 97%

Standards for molecular dynamics modelling and simulation of relaxation

Kuksin

Морозов

Norman

et al. 2005

Molecular Simulation

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An attempt is made to formulate a set of requirements for simulation and modelling of relaxation in dense media. Each requirement is illustrated by examples of numerical simulation of particles with different types of interaction given by softsphere, Lennard -Jones, embedded atom method or Coulomb potential. The approaches developed are expected to be universal for some classes of relaxation processes in liquids, fluids, crystals and plasmas.

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Section: Ensemble-dependencementioning

confidence: 97%

Standards for molecular dynamics modelling and simulation of relaxation

Kuksin

Морозов

Norman

et al. 2005

Molecular Simulation

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“…The dynamic system of many particles possesses stochastic properties [34,35]. It can be revealed as a cause of exponential divergence of MD calculation trajectories.…”

Section: Stochastic Properties Of Eam Modelmentioning

confidence: 99%

Cavitation in liquid metals under negative pressures. Molecular dynamics modeling and simulation

Bazhirov

Norman²,

Stegaĭlov

2008

J. Phys.: Condens. Matter

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An approach to study cavitation in stretched liquids via molecular dynamics (MD) simulation is presented. It is based on the stochastic properties of MD and allows one to study cavitation as a stochastic phenomenon. The approach is used to study equation of state and stability limits of the metastable liquid phase, cavitation kinetics and dynamics properties for different temperatures. Particular examples of metals under consideration include Pb, Li and Pb(83)Li(17). Quantitative and qualitative disagreements between the classic nucleation theory estimates and the MD results are found. The Kolmogorov-Johnson-Mehl-Avrami equation is used as an alternative way to estimate cavitation rate. The two methods show good mutual agreement. Decay at a constant stretching rate is also considered.

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“…Due to this instability there appears a dynamic memory time t m which limits the time interval when the Caushy problem is valid for MD numerical integration. For times greater than t m MD trajectory "forgets" its initial conditions and ceases to correlate with the hypothetical Newtonian trajectory with the same initial conditions [11,12]. We expect that the duration of ensemble-dependent part of the relaxation correlates with t m .…”

Section: Standardmentioning

confidence: 98%

Standard of Molecular Dynamics Modeling and Simulation of Relaxation in Dense Media

Kuksin

Морозов

Norman

et al. 2004

Computational Science - ICCS 2004

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Abstract. Approaches to simulation and modeling of relaxation in dense media are developed which would be universal for some classes of relaxation processes. Three examples of relaxation in strongly dissimilar multi-scale systems are considered: equilibration of electrons and ions in a nonisothermal nonideal plasma, lifetime and nucleation of crystals at superheating, void formation in a crystal under negative pressures.

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Stochastic and dynamic properties of molecular dynamics systems: Simple liquids, plasma and electrolytes, polymers

Cited by 22 publications

References 28 publications

Standards for molecular dynamics modelling and simulation of relaxation

Standards for molecular dynamics modelling and simulation of relaxation

Cavitation in liquid metals under negative pressures. Molecular dynamics modeling and simulation

Standard of Molecular Dynamics Modeling and Simulation of Relaxation in Dense Media

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