相关论文: Simulation of point defect diffusion in structures…
The analytical solution of the equation describing diffusion of intrinsic point defects has been obtained for a one-dimensional finite-length domain. This solution is intended for investigating and modeling the changes in defect…
This dissertation addresses two aspects of the theory and simulation of stress-diffusion coupling in semiconductors. The first part is a study of the role of kinetics in the formation of pits in stressed thin films. The second part…
To simulate the transient enhanced diffusion near the surface or interface, a set of equations describing the impurity diffusion and quasichemical reactions of dopant atoms and point defects in ion-implanted layers is proposed and analyzed.…
Large-scale atomistic calculations, using empirical potentials for modeling semiconductors, have been performed on a stressed system with linear surface defects like steps. Although the elastic limits of systems with surface defects remain…
Deviations from the perfect atomic arrangements in crystals play an important role in affecting their properties. Similarly, diffusion of such deviations is behind many microstructural changes in solids. However, observation of point defect…
The mechanical, structural and functional properties of crystals are determined by their defects and the distribution of stresses surrounding these defects has broad implications for the understanding of transport phenomena. When the defect…
Point defects affect material properties by altering electronic states and modifying local bonding environments. However, high-throughput first-principles simulations of point defects are costly due to large simulation cells and complex…
We analyze point defect bulk and surface diffusion near the crystal-vacuum interface and show that bulk diffusion is altered by atomic reactions at the surface-vacuum boundary. A new atomic mechanism for point defect generation and…
By employing the adaptive network simulation method, we demonstrate that the ensemble-averaged stress caused by a local force for packings of frictionless rigid beads is concentrated along rays whose slope is consistent with unity: forces…
An investigation of the effect of surface diffusion in random deposition model is made by analytical methods and reasoning. For any given site, the extent to which a particle can diffuse is decided by the morphology in the immediate…
The equation of impurity diffusion due to formation, migration, and dissolution of the pairs "impurity atom - intrinsic point defect" taking into account the nonuniform distributions of nonequilibrium point defects and drift of the pairs in…
Point processes model the distribution of random point sets in mathematical spaces, such as spatial and temporal domains, with applications in fields like seismology, neuroscience, and economics. Existing statistical and machine learning…
The task of steel surface defect recognition is an industrial problem with great industry values. The data insufficiency is the major challenge in training a robust defect recognition network. Existing methods have investigated to enlarge…
It is shown that the critical properties of a recently studied model for non-equilibrium wetting are robust if one extends the dynamic rules by single-particle diffusion on terraces of the wetting layer. Examining the behavior at the…
Our recent modelling works and corresponding numerical simulations realized to describe the UO2 oxidation processes confirm the theory showing that an applied mechanical strain can strongly affect the local oxygen diffusion in a stressed…
Elucidating the interplay of defect and stress at the microscopic level is a fundamental physical problem that has strong connection with materials science. Here, based on the two-dimensional crystal model, we show that the instability mode…
Point defects have a strong influence on the physical properties of materials, often dominating the electronic and optical behavior in semiconductors and insulators. The simulation and analysis of point defects is therefore crucial for…
Diffusion models have been popular for point cloud generation tasks. Existing works utilize the forward diffusion process to convert the original point distribution into a noise distribution and then learn the reverse diffusion process to…
We use new equations for the interstitial impurity diffusion fluxes under strain to study impurity atom redistribution in the vicinity of dislocations. Two levels of simulation are applied. The first one is evaluation of coefficients that…
Abstract. The present work considers a change in the momentum under the transfer of a solution through the interface. It is shown that pressure related to the partial volumes of components arises in a solution under diffusion. As a result,…