Related papers: A crystal symmetry-invariant Kobayashi--Warren--Ca…
We describe a generalization of the Coupled Wake Boundary Layer (CWBL) model for wind-farms that can be used to evaluate the performance of wind-farms under arbitrary wind inflow directions whereas the original CWBL model (Stevens et al.,…
Kinetically constrained models were originally introduced to capture slow relaxation in glassy systems, where dynamics are hindered by local constraints instead of energy barriers. Their quantum counterparts have recently drawn attention…
Polycrystalline materials undergoing coarsening can be represented as evolving networks of grain boundaries, whose statistical characteristics determine macroscopic materials properties. The process of formation of various statistical…
Coarse graining (CG) is an important task for efficient modeling and simulation of complex multi-scale systems, such as the conformational dynamics of biomolecules. This work presents a projection-based coarse-graining formalism for general…
Dynamic recrystallization is one of the main phenomena responsible for microstructure evolutions during hot forming. Consequently, getting a better understanding of DRX mechanisms and being able to predict them is crucial. This paper…
Boundary-catalytic branching processes describe a broad class of natural phenomena where the population of diffusing particles grows due to their spontaneous binary branching (e.g., division, fission or splitting) on a catalytic boundary…
Two finite element level-set (FE-LS) formulations are compared for the modeling of grain growth of 316L stainless steel in terms of grain size, mean values and histograms. Two kinds of microstructures are considered, some are generated…
Most technologically useful materials spanning multiple length scales are polycrystalline. Polycrystalline microstructures are composed of a myriad of small crystals or grains with different lattice orientations which are separated by…
Particle coarsening and grain growth take place to minimize the total interfacial energy. The classical mean-field treatments by Lifshitz, Slyozov, [1] Wagner [2] and Hillert [3] predicted cubic growth law under bulk-diffusion controlled…
Active matter, responsive ("smart") materials and materials under time-dependent load are systems out of thermal equilibrium. To construct coarse-grained models for such systems, one needs to integrate out a distribution of microstates that…
With the increasing availability of experimental and computational data concerning the properties and distribution of grain boundaries in polycrystalline materials, there is a corresponding need to efficiently and systematically express…
The size distribution of grains is a fundamental characteristic of polycrystalline solids. In the absence of deformation, the grain-size distribution is controlled by normal grain growth. The canonical model of normal grain growth,…
Dislocation and grain boundary melting are studied in three dimensions using the Phase Field Crystal method. Isolated dislocations are found to melt radially outward from their core, as the localized excess elastic energy drives a power law…
The evolution of occupied volume under progressive fragmentation of granular matter is studied using a purely geometric model. Rather than modelling disorder directly, properties are investigated by analysing highly ordered reference…
Machine-learning models based on a point-cloud representation of a physical object are ubiquitous in scientific applications and particularly well-suited to the atomic-scale description of molecules and materials. Among the many different…
This article proposes a Variational Quantum Algorithm to solve linear and nonlinear thermofluid dynamic transport equations. The hybrid classical-quantum framework is applied to problems governed by the heat, wave, and Burgers' equation in…
We implement the so-called Weyl-Heisenberg covariant integral quantization in the case of a classical system constrained by a bounded or semi-bounded geometry. The procedure, which is free of the ordering problem of operators, is…
Grain boundary networks should play a dominant role in determining the mechanical properties of nanocrystalline metals. However, these networks are difficult to characterize and their response to deformation is incompletely understood. In…
Understanding grain-boundary mobility during spark plasma sintering can enable microstructure control in high-entropy carbides, yet quantitative grain-growth kinetics remain scarce. In this work, grain growth kinetics and densification…
Electron backscatter diffraction is one of the most prevalent techniques used for microstructural characterization. In recent years, there has been an increase in the use of data-driven methods to analyze raw Kikuchi patterns. However, most…