The late-time nonlinear evolution of the three-dimensional (3D) Rayleigh–Taylor (RT) and Richtmyer–Meshkov (RM) instabilities for random initial perturbations is investigated. Using full 3D numerical simulations, a statistical mechanics bubble-competition model, and a Layzer-type drag-buoyancy model, it is shown that the RT scaling parameters, αB and αS, are similar in two and three dimensions, but the RM exponents, θB and θS are lower by a factor of 2 in three dimensions. The similarity parameter hB/〈λ〉 is higher by a factor of 3 in the 3D case compared to the 2D case, in very good agreement with recent Linear Electric Motor (LEM) experiments. A simple drag-buoyancy model, similar to that proposed by Youngs [see J. C. V. Hanson et al., Laser Part. Beams 8, 51 (1990)], but using the coefficients from the A=1 Layzer model, rather than phenomenological ones, is introduced.

The onset of distortion in one-dimensional monatomic chains with partially filled valence bands is considered to be well-established by the Peierls theorem, which associates the distortion with the formation of a band gap and a subsequent gain in energy. Employing modern total energy methods on the test cases of lithium, sodium and carbon chains, we reveal that the distortion is not universal, but conditional upon the balance between distorting and stabilizing forces. Furthermore, in all systems studied, the electrostatic interactions between the electrons and ions act as the main driving force for distortion, rather than the electron band lowering at the Fermi level as is commonly believed. The main stabilizing force which drives the chains toward their symmetric arrangement is derived from the electronic kinetic energy. Both forces are affected by the external conditions, e.g. stress, and consequently the instability of one-dimensional nanowires is conditional upon them. This brings a new perspective to the field of one-dimensional metals, and may shed new light on the distortion of more complex structures.

At high pressure, bismuth acquires a complex incommensurate host-guest structure, only recently discovered. Characterizing the structure and properties of this incommensurate phase from first principles is challenging owing to its non-periodic nature. In this study we use large scale DFT calculations to model commensurate approximants to the Bi-III phase, and in particular to describe the atomic modulations with respect to their ideal positions, shown here to strongly affect the electronic structure of the lattice and its stability. The equation of state and range of stability of Bi-III are reproduced in excellent agreement with experiment using a fully relativistic model. We demonstrate the importance of employing large unit-cells for the accurate description of the geometric and electronic configuration of Bi-III. In contrast, accurate description of the equation of state of bismuth is found to be primarily sensitive to the choice of pseudopotential and exchangecorrelation function, while almost completely insensitive to the commensurate approximation.PACS numbers:

The three-dimensional~3D! turbulent mixing zone~TMZ! evolution under Rayleigh-Taylor and Richtmyer-Meshkov conditions was studied using two approaches. First, an extensive numerical study was made, investigating the growth of a random 3D perturbation in a wide range of density ratios. Following that, a new 3D statistical model was developed, similar to the previously developed two-dimensional~2D! statistical model, assuming binary interactions between bubbles that are growing at a 3D asymptotic velocity. Confirmation of the theoretical model was gained by detailed comparison of the bubble size distribution to the numerical simulations, enabled by a new analysis scheme that was applied to the 3D simulations. In addition, the results for the growth rate of the 3D bubble front obtained from the theoretical model show very good agreement with both the experimental and the 3D simulation results. A simple 3D drag-buoyancy model is also presented and compared with the results of the simulations and the experiments with good agreement. Its extension to the spike-front evolution, made by assuming the spikes' motion is governed by the singlemode evolution determined by the dominant bubbles, is in good agreement with the experiments and the 3D simulations. The good agreement between the 3D theoretical models, the 3D numerical simulations, and the experimental results, together with the clear differences between the 2D and the 3D results, suggest that the discrepancies between the experiments and the previously developed models are due to geometrical effects.

The late-time growth rate of the Richtmyer-Meshkov instability was experimentally studied at different Atwood numbers with two-dimensional~2D! and three-dimensional~3D! single-mode initial perturbations. The results of these experiments were found to be in good agreement with the results of the theoretical model and numerical simulations. In another set of experiments a bubble-competition phenomenon, which was observed in previous work for 2D initial perturbation~Sadot et al., 1998!, was shown to exist also when the initial perturbation is of a 3D nature.