Related papers: Grain boundary energy models and boundary splittin…
We explore in this article the possibilities and limitations of the so-called energy method for analyzing the stability of finite difference approximations to the transport equation with extrapolation numerical boundary conditions at the…
In the phase-field modeling of brittle fracture, anisotropic constitutive assumptions for the degradation of stored elastic energy due to fracture are crucial to preventing cracking in compression and obtaining physically sound numerical…
The grain boundary (GB) mobility relates GB velocity to the thermodynamic driving forces and is central to our understanding of microstructure evolution in polycrystals. Recent molecular dynamics (MD) and experimental studies have shown…
Nanocrystalline materials are defined by their fine grain size, but details of the grain boundary character distribution should also be important. Grain boundary character distributions are reported for ball milled, sputter deposited, and…
We use a simple Colour Glass Condensate/String Percolation Model argument to show the existence, due to energy conservation, of bounds to the violation of Feynman scaling and limiting fragmentation.
There is a need for numerical models capable of predicting local accumulation of hydrogen near stress concentrators and crack tips to prevent and mitigate hydrogen assisted fracture in steels. The experimental characterisation of trapping…
One of the most important aims of grain boundary modeling is to predict the evolution of a large collection of grains in phenomena such as abnormal grain growth, coupled grain boundary motion, and recrystallization that occur under extreme…
This review is a tutorial for scientists interested in the problem of protein structure prediction, particularly those interested in using coarse-grained molecular dynamics models that are optimized using lessons learned from the energy…
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…
We present a unified framework for the calculation of defect energies for those defects that can be represented as a superposition of isolated dislocations, and obtain both self and interaction energies of combinations of grain boundaries…
Design of nuclear materials with high radiation-tolerance has great significance1, especially for the next generation of nuclear energy systems2,3. Response of nano- and poly-crystals to irradiation depends on the radiation temperature,…
We consider a class of potential problems on a periodic half-space for the modelling of electrified oil films, which are used in the development of novel switchable liquid optical devices (diffraction gratings). A boundary integral…
As a model of composite materials, a bundle of many fibers with stochastically distributed breaking thresholds for the individual fibers is considered. The bundle is loaded until complete failure to capture the failure scenario of composite…
Grain boundary (GB) segregation is a powerful approach for optimizing the thermal and mechanical properties of metal alloys. In this study, we report significant GB interstitial segregation in a representative substitutional binary alloy…
It was recently reported that segregation of Zr to grain boundaries (GB) in nanocrystalline Cu can lead to the formation of disordered intergranular films [1,2]. In this study we employ atomistic computer simulations to study how the…
We present a novel phase-field approach for investigating solute segregation in a moving grain boundary. In our model, the correct choice of various parameters can control the solute-grain boundary interaction potential, resulting in…
In this paper we present and analyze a constraint energy minimizing generalized multiscale finite element method for convection diffusion equation. To define the multiscale basis functions, we first build an auxiliary multiscale space by…
Granular materials such as sand, powders, and food grains are ubiquitous in civil engineering, geoscience, agriculture, and medicine. While the influence of friction between the grains on the static structure of these systems is well…
It is well known that evaporative cooling of Earth's surface water reduces the amount of radiation that goes into sensible heat, namely the portion of radiation that produces higher temperatures. However, a rigorous use of long-term…
This article investigates an energy balance model coupled to the primitive equations by a dynamic boundary condition with and without noise on the boundary. It is shown that this system is globally strongly well-posed both in the…