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Static recrystallization is an important aspect of metal processing. The initial stage of recrystallization - nucleation of new grains - determines its later stages. The accepted mechanisms of recrystallization nucleation are based on the…
Simulating dynamic rupture propagation is challenging due to the uncertainties involved in the underlying physics of fault slip, stress conditions, and frictional properties of the fault. A trial and error approach is often used to…
The recent availability of precisely measured fusion cross-sections has enabled the extraction of a representation of the distribution of barriers encountered during fusion. These representations, obtained from a variety of reactions,…
First order phase transitions proceed via nucleation. The rate of nucleation varies exponentially with the free-energy barrier to nucleation, and so is highly sensitive to variations in this barrier. In practice, very few systems are…
The thermally activated motion of dislocations across fields of obstacles distributed at random and in a correlated manner, in separate models, is studied by means of computer simulations. The strain rate sensitivity and strength are…
The accumulation of helium bubbles at grain boundaries (GBs) critically degrades the mechanical integrity of structural materials in nuclear reactors. While GBs act as sinks for radiation-induced defects, their inherent structural…
We present the results of a computer simulation of the atomic structures of large-angle symmetrical tilt grain boundaries (GBs) $\Sigma 5$ (misorientation angles $\q{36.87}{^{\circ}}$ and $\q{53.13}{^{\circ}}$), $\Sigma 13$ (misorientation…
From small seeds falling from trees to asteroids colliding with planets and moons, the impact of projectiles onto granular targets occurs in nature at different scales. In this paper, we investigate open questions in the mechanics of…
Modeling dislocations is an inherently multiscale problem as one needs to simultaneously describe the high stress fields near the dislocation cores, which depend on atomistic length scales, and a surface boundary value problem which depends…
We study the dynamics of the passage of a stiff chain through a pore into a cell containing particles that bind reversibly to it. Using Brownian Molecular Dynamics simulations we investigate the mean-first-passage time as a function of the…
Numerical simulations of assemblies of grains under cyclic loading exhibit ``granular ratcheting'': a small net deformation occurs with each cycle, leading to a linear accumulation of deformation with cycle number. We show that this is due…
Refractory body-centered cubic (BCC) metals and alloys are of extraordinary importance in modern technological and structural applications. However, their wider adoption in science and technology is severely restricted by low-temperature…
Grain boundaries (GBs) trigger structure-specific chemical segregation of solute atoms. According to the three-dimensional (3D) topology of grains, GBs - although defined as planar defects - cannot be free of curvature. This implies…
The concept of fission barrier - a parameter which enters in quantitative estimates of various observables related to nuclear fission - is presented from the point of view of theory based on the picture of nuclear deformation and energy…
The collision of a spherical grain with a granular bed is commonly parametrized by the splash function, which provides the velocity of the rebounding grain and the velocity distribution and number of ejected grains. Starting from elementary…
The evaluation of nucleation rates from molecular dynamics trajectories is hampered by the slow nucleation time scale and impact of finite size effects. Here, we show that accurate nucleation rates can be obtained in a very general fashion…
Dynamics of the nuclear fragmentations and the charge exchange reactions in pion-nucleus collisions near the $\Delta$(1232) resonance energies has been investigated within the Lanzhou quantum molecular dynamics (LQMD) transport model. An…
A geometrical analysis of the stability of nuclei against deformations is presented. In particular, we use Catastrophe Theory to illustrate discontinuous changes in the behavior of nuclei with respect to deformations as one moves in the N -…
Brittle fracturing of materials is common in natural and industrial processes over a variety of length scales. Knowledge of individual particle dynamics is vital to obtain deeper insight into the atomistic processes governing crack…
With the quantum diffusion approach the behavior of capture cross sections and mean-square angular momenta of captured systems are revealed in the reactions with deformed and spherical nuclei at sub-barrier energies. With decreasing…