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Register a new userNonequilibrium grain size distribution with generalized growth and nucleation rates
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We determine the non-equilibrium grain size distribution during the crystallization of a solid in $d$ dimensions at fixed thermodynamic conditions, for the random nucleation and growth model, and in absence of grain coalescence. Two distinct generalizations of the theory established earlier are considered. A closed analytic expression of the grain size distribution useful for experimental studies is derived for anisotropic growth rates. The main difference from the isotropic growth case is the appearance of a constant prefactor in the distribution. The second generalization considers a Gaussian source term: nuclei are stable when their volume is within a finite range determined by the thermodynamics of the crystallization process. The numerical results show that this generalization does not change the qualitative picture of our previous study. The generalization only affects quantitatively the early stage of crystallization, when nucleation is dominant. The remarkable result of these major generalizations is that the non-equilibrium grain size distribution is robust against anisotropic growth of grains and fluctuations of nuclei sizes.
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We study the time dependence of the grain size distribution N(r,t) during crystallization of a d-dimensional solid. A partial differential equation including a source term for nuclei and a growth law for grains is solved analytically for any dimension d. We discuss solutions obtained for processes described by the Kolmogorov-Avrami-Mehl-Johnson model for random nucleation and growth (RNG). Nucleation and growth are set on the same footing, which leads to a time-dependent decay of both effective rates. We analyze in detail how model parameters, the dimensionality of the crystallization process, and time influence the shape of the distribution. The calculations show that the dynamics of the effective nucleation and effective growth rates play an essential role in determining the final form of the distribution obtained at full crystallization. We demonstrate that for one class of nucleation and growth rates the distribution evolves in time into the logarithmic-normal (lognormal) form discussed earlier by Bergmann and Bill [J. Cryst. Growth 310, 3135 (2008)]. We also obtain an analytical expression for the finite maximal grain size at all times. The theory allows for the description of a variety of RNG crystallization processes in thin films and bulk materials. Expressions useful for experimental data analysis are presented for the grain size distribution and the moments in terms of fundamental and measurable parameters of the model.
It has recently been shown that turbulence in the interstellar medium (ISM) can significantly accelerate the growth of dust grains by accretion of molecules, but the turbulent gas-density distribution also plays a crucial role in shaping the grain-size distribution. The growth velocity, i.e., the rate of change of the mean grain radius, is proportional to the local gas density if the growth species (molecules) are well-mixed in the gas. As a consequence, grain growth happens at vastly different rates in different locations, since the gas-density distribution of the ISM shows a considerable variance. Here, it is shown that grain-size distribution (GSD) rapidly becomes a reflection of the gas-density distribution, irrespective of the shape of the initial GSD. This result is obtained by modelling ISM turbulence as a Markov process, which in the special case of an Ornstein-Uhlenbeck process leads to a lognormal gas-density distribution, consistent with numerical simulations of isothermal compressible turbulence. This yields an approximately lognormal GSD; the sizes of dust grains in cold ISM clouds may thus not follow the commonly adopted power-law GSD with index -3.5, but corroborates the use of a log-nomral GSD for large grains, suggested by several studies. It is also concluded that the very wide range of gas densities obtained in the high Mach-number turbulence of molecular clouds must allow formation of a tail of very large grains reaching radii of several microns.
A detailed theoretical and numerical investigation of the infinitesimal single-crystal gradient plasticity and grain-boundary theory of Gurtin (2008) A theory of grain boundaries that accounts automatically for grain misorientation and grain-boundary orientation. Journal of the Mechanics and Physics of Solids 56 (2), 640-662, is performed. The governing equations and flow laws are recast in variational form. The associated incremental problem is formulated in minimization form and provides the basis for the subsequent finite element formulation. Various choices of the kinematic measure used to characterize the ability of the grain boundary to impede the flow of dislocations are compared. An alternative measure is also suggested. A series of three-dimensional numerical examples serve to elucidate the theory.
The space subdivision in cells resulting from a process of random nucleation and growth is a subject of interest in many scientific fields. In this paper, we deduce the expected value and variance of these distributions while assuming that the space subdivision process is in accordance with the premises of the Kolmogorov-Johnson-Mehl-Avrami model. We have not imposed restrictions on the time dependency of nucleation and growth rates. We have also developed an approximate analytical cell size probability density function. Finally, we have applied our approach to the distributions resulting from solid phase crystallization under isochronal heating conditions.
Structural aspects of crystal nucleation in undercooled liquids are explored using a nonlinear hydrodynamic theory of crystallization proposed recently [G. I. Toth et al., J. Phys.: Condens. Matter 26, 055001 (2014)], which is based on combining fluctuating hydrodynamics with the phase-field crystal theory. We show that in this hydrodynamic approach not only homogeneous and heterogeneous nucleation processes are accessible, but also growth front nucleation, which leads to the formation of new (differently oriented) grains at the solid-liquid front in highly undercooled systems. Formation of dislocations at the solid-liquid interface and interference of density waves ahead of the crystallization front are responsible for the appearance of the new orientations at the growth front that lead to spherulite-like nanostructures.
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