相关论文: Effect of palladium on the microstructure and grai…
Energetics of Cs defects at Sigma3 grain boundaries of 3C-SiC has been studied using density functional theory to understand the role of the grain boundaries in Cs diffusion and its eventual release from the tristructural isotropic fuel…
The influence of implantation-induced point defects (PDs) on SiC oxidation is investigated via molecular dynamics simulations. PDs generally increase the oxidation rate of crystalline grains. Particularly, accelerations caused by Si…
The presence of interparticle cohesion can drastically change the behavior of granular materials. For instance, powders are challenging to handle, and one can make a sandcastle using wet grains. In this study, we report experimental results…
Understanding irradiation-induced strain in silicon carbide (SiC) is essential for designing radiation-tolerant ceramic materials. However, conventional methods often fail to resolve nanoscale strain gradients, especially in polycrystalline…
This study delves into the complex mechanisms of defect production and accumulation in nanocrystalline tungsten under irradiation, with a particular focus on the interplay between grain boundaries and free surfaces. Through molecular…
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…
We numerically study the effect of inter-particle friction coefficient on the response to cyclical pure shear of spherical particles in three dimensions. We focus on the rotations and translations of grains and look at the spatial…
Polar discontinuities and structural changes at oxide interfaces can give rise to a large variety of electronic and ionic phenomena. Related effects have been intensively studied in epitaxial systems, including ferroelectric domain walls…
Grain boundaries are dominant imperfections in nanocrystalline materials that form a complex 3-dimensional (3D) network. Solute segregation to grain boundaries is strongly coupled to the grain boundary character, which governs the stability…
At very fine grain sizes, grain boundary segregation can deviate from conventional behavior due to triple junction effects. While this issue has been addressed in prior work for substitutional alloys, here we develop a framework that…
SiC fibre with the transverse isotropic properties is very important to it reinforced metal matrix composites. In this paper, local texture of the CVD SiC fibre was investigated by means of X-ray diffraction (XRD) and precession electron…
In this work, we quantify the impact of grain boundary (GB) and surface diffusion on fission gas bubble evolution and fission gas release in UO$_2$ nuclear fuel using simulations with a hybrid phase field/cluster dynamics model. We begin…
To investigate the barrier effect of grain boundaries on the propagation of avalanche-like plasticity at the atomic-scale, we perform three-dimensional molecular dynamics simulations by using simplified polycrystal models including…
This paper deals with the comparison between thermal and Fission Enhanced Diffusion (FED) of uranium into zirconia, representative of the inner face of cladding tubes. The experiments under irradiation are performed at the Institut Laue…
Deciphering the three-dimensional atomic structure of solid-solid interfaces in core-shell nanomaterials is the key to understand their remarkable catalytical, optical and electronic properties. Here, we probe the three-dimensional atomic…
Characterizing microstructural effects on the dynamical response of materials is challenging due to the extreme conditions and the short timescales involved. For example, little is known about how grain boundary characteristics affect spall…
Thermal dust polarization is a powerful tool to probe magnetic fields ($\textbf{B}$) and grain properties. However, a systematic study of the dependence of dust polarization on grain properties in protostellar environments is not yet…
The thermodynamic theory of dislocation/grain boundary interaction, including dislocation pile-up against, absorption by, and transfer through the grain boundary, is developed for nonuniform plastic deformations in polycrystals. The case…
In this paper we analyze theoretically how the introduction of the third component into the two-dimensional photonic crystal influences the photonic band structure and the density-of-states of the system. We consider the periodic array of…
Materials containing a high proportion of grain boundaries offer significant potential for the development of radiation-resistent structural materials. However, a proper understanding of the connection between the radiation-induced…