Related papers: Topological transitions during grain growth on a f…
Dynamical quantum phase transitions occur in dynamically evolving quantum systems when non-analyticities occur at critical times in the return rate, a dynamical analogue of the free energy. This extension of the concept of phase transitions…
Mixed atomistic and continuum methods offer the possibility of carrying out simulations of material properties at both larger length scales and longer times than direct atomistic calculations. The quasi-continuum method links atomistic and…
A local criterion of topological phase transitions is established based on the Morse theory: a topological phase transition occurs when the count of Morse critical points of the order function changes. The locations in space where this…
Granular materials are heterogenous grains in contact, which are ubiquitous in many scientific and engineering applications such as chemical engineering, fluid mechanics, geomechanics, pharmaceutics, and so on. Granular materials pose a…
Significant grain growth is observed during the high-pressure phase transformations (PTs) at room temperature within an hour for various materials. However, no existing theory explains this phenomenon since nanocrystals do not grow at room…
Understanding and predicting microstructure evolution is fundamental to materials science, as it governs the resulting properties and performance of materials. Traditional simulation methods, such as phase-field models, offer high-fidelity…
Abnormal grain growth in the presence of second phase particles is investigated with the help of a two-dimensional Monte Carlo simulation. An aggregate of equiaxed grains is considered with constant grain boundary energy and mobility. The…
We consider a numerical scheme for the approximation of a system that couples the evolution of a two--dimensional hypersurface to a reaction--diffusion equation on the surface. The surfaces are assumed to be graphs and evolve according to…
Many material properties can be traced back to properties of their grain boundaries. Grain boundary energy (GBE), as a result, is a key quantity of interest in the analysis and modeling of microstructure. A standard method for calculating…
Molecular static simulations of 190 symmetric tilt grain boundaries in HCP metals were used to understand the energetics of vacancy segregation, which is important for designing stable interfaces in harsh environments. Simulation results…
Grain boundary (GB) migration plays a crucial role in the thermal and mechanical responses of polycrystalline materials, particularly in ultrafine-grained and nano-grained materials exhibiting grain size-dependent properties. This study…
We propose a general formalism to characterize orientational frustration of smectic liquid crystals in confinement by interpreting the emerging networks of grain boundaries as objects with a topological charge. In a formal idealization,…
Knowledge about grain boundary migration is a prerequisite for understanding and ultimately modulating the properties of polycrystalline materials. Evidence from experiments and molecular dynamics (MD) simulations suggests that the…
We propose a modeling framework for growing multiplexes where a node can belong to different networks. We define new measures for multiplexes and we identify a number of relevant ingredients for modeling their evolution such as the coupling…
Grain boundaries (GBs) and interfaces in polycrystalline materials are significant research subjects in the field of materials science. Despite a more than 50-year history of their study, there are still many open questions. The main…
The present paper introduces a mathematical model for studying dynamic grain growth. In particular, we show how characteristic measurements, grain volumes, centroids, and central second-order moments at discrete moments in time can be…
A mesoscopic model of a diblock copolymer is used to study the motion of a grain boundary separating two regions of perfectly ordered lamellar structures under an oscillatory but uniform shear flow. The case considered is a grain boundary…
The phase behavior of grain boundaries can have a strong influence on interfacial properties. Little is known about the emergence of grain boundary phases in elemental metal systems and how they transform. Here, we observe the nanoscale…
Coarse graining enables the investigation of molecular dynamics for larger systems and at longer timescales than is possible at atomic resolution. However, a coarse graining model must be formulated such that the conclusions we draw from it…
Experimental grain growth observations often deviate from grain growth simulations, revealing that the governing rules for grain boundary motion are not fully understood. A novel deep learning model was developed to capture grain growth…