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Particle model of Rayleigh-Taylor instability

Among a few kinds of recognized fluid instabilities there is the instability concerning two fluids of different densities superposed one over another. We can distinguish two cases

For both of them, acceleration field G and shock wave motion are directed from the heavier fluid to the lighter one. In spite of differences in details, both types of instabilities have similar characteristics and often, in real phenomena, they occur together. Let us stress our considerations to the Rayleigh-Taylor instability.

The Rayleigh-Taylor instability is of a fingering type on an interface between two fluids of different densities, which occurs when the light fluid is pushing the heavy fluid. Let us assume that in Fig. 1 denser fluid is colored in dark gray and lighter fluid in light gray and a small stochastic perturbation is introduced. Regardless of fluids interface preparation the layers will deviate from planarity by some small amount. Then, portions of fluid, which lay higher than initial interface level, experience higher pressure than is needed for their support. Therefore, they push aside heavier fluid and begin to rise. Similarly neighboring portions of fluid, where the surface is a little lower than the initial interface level, will require more than average pressure to support them and begin to fall. The initial irregularities increase in magnitude resulting first in wrinkles (ripples in Fig.1b) then in bubbles-and-spikes formation and finally in turbulent mixing.

The Rayleigh-Taylor instability was thoroughly investigated analytically, experimentally and via computer simulations. Its role in natural phenomena investigations (e.g., supernovae explosions, evolution of galaxies, plasma physics) and technological applications (e.g., laser and electromagnetic implosions) is unbeatable and results in numerous papers and books already publishedtex2html_wrap_inline1200. The linear theory based on both Eulerian and Lagrangian fluid dynamics models and stochastic theory is well motivated and approved by computer and physical experimentstex2html_wrap_inline1202. Nevertheless, the most interesting is non-linear regime in which a mixing layer is formed. The mixing layer has three principal regionstex2html_wrap_inline1204: the edge where bubbles of light fluid are penetrating into the heavy fluid (bubble regime), the edge where spikes of heavy fluid are penetrating into the light fluid (spike regime), and the connecting region (mixing layer). The bubble regime has been most carefully studiedtex2html_wrap_inline1206 and has the simplest properties.

The stages of mixing can be described in more details:

  1. After time interval of a few tex2html_wrap_inline1208:
    equation44
    where tex2html_wrap_inline1210 is the Atwood number
    equation49
    a perturbation corresponding to the most unstable wavelength tex2html_wrap_inline1212 appears
    equation56
    where
    equation62
    is the mean kinematic viscosity.
  2. When a perturbation characteristics for tex2html_wrap_inline1212 reach the amplitude of 0.5tex2html_wrap_inline1212 its exponential growth rate slows down and longer wave disturbances begin to grow rapidly. They merge, in turn, yielding larger and larger structures. If initialized perturbations are small enough it is presumedtex2html_wrap_inline1218 that these large structures evolve from the non-linear interactions between the smaller ones rather than from an initial disturbance of the corresponding wavelength. When the dominant wavelength exceeds about 10tex2html_wrap_inline1212 the memory of the initial conditions is lost which finishes the stage 2 of mixing.
  3. Due to the length of the dominant wave, which grows to infinity, viscosity now has little effect on the growth of large scale structures. The only length scale of importance is tex2html_wrap_inline1222 because memory of initial conditions has been lost.

Numerous factors, which influence the development of a Rayleigh-Taylor instability in a simple fluid were investigatedtex2html_wrap_inline1224

and variety of forms of heterogeneity.

Other factors like material properties, state equations of fluid, heat conduction, diffusion, several mass components, phase transition remain very difficult to investigate and still need more effort. The same concerns the most difficult nonlinear aspects of Rayleigh-Taylor instability: interactions of perturbations of different frequency, the effects of statistically distributed heterogenities, break-up of spikes and bubble amalgamation. It seems that existing analytical approachestex2html_wrap_inline1226 to solve some of these problems are insufficient. Moreover, widely used numerical models based on the mass, momentum and energy continuity are too coarse to solve them via computer simulation. An explanation of this presumption on the base of Church-Turing hypothesis and the universal Turing Machine modeltex2html_wrap_inline1228 is given below.

Theoretical approaches are concerned with devising shorter calculations to reproduce the outcome of complex systemstex2html_wrap_inline1228. Let us assume that there exists a class of systems that can be predicted using a formula describing its future state. This means that the calculations performed by using the formula must be more sophisticated than those performed by the physical system itself. That means that the formal system must be more powerful than the corresponding physical system. However, for some physical systems which are as powerful as those performed by Universal Turing Machine, no shortcuts are possible. Moreover, some chaotic physical processes can not be viewed as computations. It is not possible to predict the future accurately just because small perturbations in the initial conditions will grow exponentially in time. If no general predictive procedure is possible this computation is called computationally irreducible. If the Church-Turing hypothesis is true (universal computers are as powerful in their computational capabilities as any physically realizable system can be, so they can simulate any physical systemtex2html_wrap_inline1228) no physical system can shortcut a computationally irreducible process. Simulation is the only way out.

Existing analytical solutions and numerical simulations of Rayleigh-Taylor instability, which are based on the Eulerian and/or Lagrangian modelstex2html_wrap_inline1234, represent in fact the shortcuts of the process, whose nature comes from particle paradigm, i.e., direct interactions of particles in fluid. The continuous models represent only the transformation module, which processes the signal (initial perturbation) given on its input yielding its response on its output. Linear theory of the first stages of mixing can give some answers concerning, e.g. the growth rate of idealized (sinusoidal) perturbations of given wavelengths but fails for statistically distributed heterogenities. Moreover the statistics and the nature of these heterogenities is unknown. In the fluid, assuming only thermal fluctuations, the wavelength resulting from fluctuations is much lower than the critical mixing wavelength. Therefore, in accordance with the theory they have no chance to evolve and mixing will never occur.

The shape of input signals assumed is usually fully speculative and has nothing in common with physical phenomena, which take place at the beginning of mixing process. Therefore, it cannot be treated as any shortcut of real physics of the process. Simply, the existing models both analytical and numerical, do not cover the initial process of perturbation creation. Nevertheless, we cannot say that such the model does not exist. It does and this is the particle model.

At the end of the second stage of mixing the memory about initial conditions of the system is getting lost. In this region, however, the analytical model is poor and computer simulations (along with physical experiments) begin to play crucial role. When the process becomes more and more chaotic, the continuous computational model, in turn, is insufficient (bubbles agglomeration, spikes break-out) due to pre-dominant role of shorter and shorter wavelength scale phenomena in the system behavior in whole. Prediction of calculations are not good enough and the continuous model ceases to be an useful shortcut for the real atomistic model.

One of the main problems encoutered when one is using particle model is the time-space scale, limited by the power of computers. However, the situation is now much better than yet ten years ago. Powerful multiprocessor systems and parallel computing paradigms enable simulations of the evolution of millions of particles in million of time steps what in physical units reflects samples of micrometer in size (for 2-D simulations) and simulation time of a few nanoseconds. Of course it is far away from macroscopic world phenomena scales, but too interesting to be neglected. In this paper the authors try to answer the following questions:

  1. Can the process of mixing be observed in microscale?
  2. Does it scale (preserve its features) when increasing the size of a sample?
  3. How does the process look like? Does it resemble that observed in macroscale?
  4. What are the advantages and drawbacks of the particles approach?

next up previous
Next: Parallel 2-D simulation program Up: MOLECULAR DYNAMICS SIMULATIONS OF Previous: 1 Introduction

Jacek Moscinski, Witold Alda, Marian Bubak, Witold Dzwinel, Jacek Kitowski, Marek Pogoda, David A. Yuen