相关论文: How grain structure evolution affects kinetics of …
Hydride precipitation in zirconium cladding materials can damage their integrity and durability.Service temperature and material defects have a significant effect on the dynamic growth of hydrides. In this study, we have developed a phase…
Stagnation of grain growth is often attributed to impurity segregation. Yttria-stabilized cubic zirconia does not evidence any segregation-induced slowdown, as its grain growth obeys the parabolic law when the grain size increases by more…
Non-Arrhenius grain growth has been observed in a range of polycrystalline materials; however, its fundamental mechanisms, particularly whether the process is thermally activated or exhibits anti-thermally activation, remain controversial.…
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…
The catalytic role of dust grain surfaces in the thermal reaction CO2 + 2NH3 $\rightarrow$ NH4+NH2COO was recently demonstrated by our group. The rate coefficients for the reaction at 80 K on the surface of nanometre-sized carbon and…
The influence of nitrogen on the oxidation behavior of hot-pressed zirconium carbide was investigated using a flow-tube furnace at temperatures ranging from 1000 to 1600 {\deg}C. Mass gain, oxide formation characteristics, and oxide…
The dynamical mechanisms underlying the grain evolution and growth are of fundamental importance in controlling the structural properties of large-scale polycrystalline materials, but the effects of lattice ordering and distinct atomic…
We present a kinetic model for solid state phase transformation (alpha<-->beta) of common zirconium alloys used as fuel cladding material in light water reactors. The model computes the relative amounts of beta or alpha phase fraction as a…
Argyrodite solid electrolytes, such as Li$_6$PS$_5$Cl, exhibit some of the highest known superionic conductivities. Yet, the mechanistic understanding of Li$^+$ transport in realistic argyrodite microstructures -- where atomic-scale…
The approach of nonequilibrium evolution thermodynamics earlier offered is developed. It helps to describe the processes of defect formation within the adiabatic approximation. The basic equations system depends on the initial defects…
In this work the coupled motion of two different phases of {\Sigma}5(210)[001] grain boundaries were investigated by molecular dynamics simulations of fcc Cu. The effect of interfacial structural phase transitions is shown to have a…
The overall solid-to-solid phase transformation kinetics under non-isothermal conditions has been modeled by means of a differential equation method. The method requires provisions for expressions of the fraction of the transformed phase in…
Zirconium nitride (ZrN) is a refractory material with good mechanical and thermal properties. It is therefore a good candidate for hard surface treatment at high temperature. In this work, we report the growth and characterization of ZrN by…
Segregation-induced structural transitions in metallic grain boundaries are studied with hybrid atomistic Monte Carlo/molecular dynamics simulations using Cu-Zr as a model system, with a specific emphasis on understanding the effect of…
A comprehensive parametric study of plasma-grain interaction for non-Maxwellian streaming ions in steady-state employing particle-in-cell simulations is delineated. Instead of considering the inter-grain interaction potential to be the…
When a crystalline solid such as iron is cooled across a structural transition, its final microstructure depends sensitively on the cooling rate. For instance, an adiabatic cooling across the transition results in an equilibrium `ferrite',…
The kinetics of the reactions of nitrogen dioxide, NO$_2$, with atomic oxygen and atomic carbon in their ground triplet states ($^3$P) have been studied at room temperature and below using a supersonic flow (Laval nozzle) reactor. O($^3$P)…
$\mathrm{Cu_2IrO_3}$ is among the newest layered honeycomb iridates and a promising candidate to harbor a Kitaev quantum spin liquid state. Here, we investigate the pressure and temperature dependence of its structure through a combination…
We explore the distribution, morphology and structure of zirconium hydrides formed using different cooling rates through the solid state Zr+[H] --> Zr + hydride transus, in fine and blocky alpha Zircaloy-4. We observe that cooling rate and…
It is often observed that martensitic microstructures in adjacent polycrystal grains are related. For example, micrographs of Arlt exhibit propagation of layered structures across grain boundaries in the cubic-to-tetragonal phase…