Related papers: Predicting dislocation climb: Classical modeling v…
We use a new variant of Molecular Static method for simulation of the atomic structure near nanovoids. In our model an iterative procedure is employed, in which the atomic structure in the void vicinity and the parameter determining the…
In this paper, we present a phase field model for the self-climb motion of prismatic dislocation loops via vacancy pipe diffusion driven by elastic interactions. This conserved dynamics model is developed under the framework of the…
The universality class of the avalanche behavior in plastically deforming crystalline and amorphous systems has been commonly discussed, despite the fact that the microscopic defect character in each of these systems is different. In…
Simulations that couple different classical molecular models in an adaptive way by changing the number of degrees of freedom on the fly, are available within reasonably consistent theoretical frameworks. The same does not occur when it…
The classical model that describes the motion of an atom in a magnetic trap is solved in order to investigate the relationship between the failure of the usual adiabatic approximation assumption and the physical parameters of the trap. This…
This paper presents PANIC, a 3D discrete mesoscale dislocation dynamics model which includes a fully quantitative treatment of both dislocation climb and dislocation glide, including climb driven by both osmotic and mechanical stresses and…
Variational algorithms have particular relevance for near-term quantum computers but require non-trivial parameter optimisations. Here we propose Analytic Descent: Given that the energy landscape must have a certain simple form in the local…
The microscopic theory of atomic diffusion kinetics is used for f.c.c. substitutional solid solutions. Within this approach, the short-range order relaxation is due to the atomic migration. Experimental data on the time dependence of…
An alternative methodology to investigate indirect polyatomic processes with quasi-classical trajectories is proposed, which effectively avoids any binning or weighting procedure while provides rovibrational resolution. Initial classical…
The continuum dislocation dynamics framework for mesoscale plasticity is intended to capture the dislocation density evolution and the deformation of crystals when subjected to mechanical loading. It does so by solving a set of transport…
The transport of ultra-cold atoms in magneto-optical potentials provides a clean setting in which to investigate the distinct predictions of classical versus quantum dynamics for a system with coupled degrees of freedom. In this system,…
Ensuring vertical separation is a key means of maintaining safe separation between aircraft in congested airspace. Aircraft trajectories are modelled in the presence of significant epistemic uncertainty, leading to discrepancies between…
A discrete model describing defects in crystal lattices and having the standard linear anisotropic elasticity as its continuum limit is proposed. The main ingredients entering the model are the elastic stiffness constants of the material…
A unified semiclassical framework is presented to describe the evaporative cooling of trapped atomic gases, accounting for both classical and quantum statistics. By combining global thermodynamics with phase-space distributions, general…
We present a classical kinetically constrained model of interacting particles on a triangular ladder, which displays diffusion and jamming and can be treated by means of a classical-quantum mapping. Interpreted as a theory of interacting…
Glide and climb of quantum dislocations under finite external stress, variation of chemical potential and bias (geometrical slanting) in Peierls potential are studied by Monte Carlo simulations of the effective string model. We treat on…
We develop a version of the vacancy mediated tracer diffusion model, which follows the properties of the physical system of In atoms diffusing within the top layer of Cu(001) terraces. This model differs from the classical tracer diffusion…
The core structure of dislocations is critical to their mobility, cross slip, and other plastic behaviors. Atomistic simulation of the core structure is limited by the size of first-principles density functional theory (DFT) calculation and…
A novel explanation of the quasielastic release phenomenon in shock compressed aluminum is presented. A dislocation-based model, taking into account dislocation substructures and evolution, is applied to simulate the elastic plastic…
Quantum dot (QD) lay-outs are becoming more complex as the technology is being applied to more complex multi-QD structures. This increase in complexity requires improved capacitance modeling both for design and accurate interpretation of QD…