相关论文: Ag diffusion in SiC high-energy grain boundaries: …

Cesium (Cs) is a radioactive fission product whose release is of concern for Tristructural-Isotropic (TRISO) fuel particles. In this work, Cs diffusion through high energy grain boundaries (HEGBs) of cubic-SiC is studied using an ab-initio…

Silver released from TRISO fuel particles can migrate through the SiC layer and deposit on reactor components, posing radiation hazards and operational challenges. Despite numerous proposed mechanisms, the precise pathway of silver…

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…

While it is known that alloy components can segregate to grain boundaries (GBs), and that the atomic mobility in GBs greatly exceeds the atomic mobility in the lattice, little is known about the effect of GB segregation on GB diffusion.…

Structural defects in materials such as vacancies, grain boundaries, and dislocations may trap hydrogen and a local accumulation of hydrogen at these defects can lead to the degradation of the materials properties. An important aspect in…

Abnormal grain growth (AGG) influences the properties of polycrystalline materials; however, the underlying mechanisms, particularly the role of solute segregation at the grain boundary (GB), are difficult to quantify precisely. This study…

Recent experimental measurements of Ag impurity diffusion in the {\Sigma}5 (310) grain boundary (GB) in Cu revealed an unusual non-Arrhenius behavior suggestive of a possible structural transformation [Divinski et al., Phys. Rev. B 85,…

In this comprehensive and detailed study, vacancy-mediated self-diffusion of A- and B-elements in 'triple-defect' B2-ordered ASB(1-S) binaries is simulated by means of a kinetic Monte Carlo (KMC) algorithm involving atomic jumps to…

Understanding hydrogen-grain boundary (GB) interactions is critical to the analysis of hydrogen embrittlement in metals. This work presents a mesoscale fully kinetic model to investigate the effect of GB misorientation on hydrogen diffusion…

A high-throughput experimental approach is presented to extract the anisotropic interdiffusion coefficient by combining information over the composition profiles obtained by the electron probe microanalysis (EPMA) and the grain orientation…

Presolar silicon carbide (SiC) grains in meteoritic samples can help constrain circumstellar condensation processes and conditions in C-rich stars and core-collapse supernovae. This study presents our findings on eight presolar SiC grains…

The macroscopic behavior of polycrystalline materials is influenced by the local variation of properties caused by the presence of impurities and defects. The effect of these impurities at the atomic scale can either embrittle or strengthen…

Silicon carbide (SiC) grains are a major dust component in carbon-rich AGB stars. The formation pathways of these grains are, however, not fully understood.\ We calculate ground states and energetically low-lying structures of (SiC)$_n$,…

Silver interlayers have been shown to enable smooth lithium deposition and cycling in anode-free solid-state batteries. Here, we report the atomic structure of the Ag and Li interface, showing that Li preferentially plates as FCC on both…

Hydrogen embrittlement remains a critical challenge in structural and electronic applications of copper (Cu) but its mechanism is still not fully understood. In this study, we combine density functional theory (DFT) and bond-order potential…

We report the effect of silver addition on superconducting performance of bulk YBCO (YBa2Cu3O7) superconductor. All the studied samples are prepared by conventional solid-state reaction method. Rietveld fitted X-ray diffraction data…

Among presolar materials recovered in meteorites, abundant SiC and Al$_{2}$O$_{3}$ grains of AGB origins were found. They showed records of C, N, O, $^{26}$Al and s-element isotopic ratios that proved invaluable in constraining the…

We investigate the formation of silicon carbide (SiC) grains in the framework of dust-driven wind around pulsating carbon-rich Asymptotic Giant Branch (C-rich AGB) stars in order to reveal not only the amount but also the size distribution.…

Hydrogen embrittlement (HE) poses a significant challenge in the mechanical integrity of iron and its alloys. This study explores the influence of hydrogen atoms on two distinct grain boundaries (GBs), $\Sigma37$ and $\Sigma3$, in…

Coincidence Site Lattice (CSL) grain boundaries (GBs) are believed to be low-energy, resistant to intergranular fracture, as well as to hydrogen embrittlement. Nevertheless, the behavior of CSL-GBs are generally confused with their angular…