相关论文: Atomic size effect in impurity indued grain bounda…

This study proposes a new analytical model for grain boundary pinning by second phase particles in two-dimensional polycrystals. This approach not only considers how particles impede grain growth, but also elucidates their role in…

Additively manufactured (AM) alloys have heterogeneous microstructures with broad grain size distributions and highly anisotropic and/or non-convex grain shapes. AM components can have complex geometries and porosity which may affect the…

Extended defects, including exposed surfaces and grain boundaries, are critical to the properties of polycrystalline solid electrolytes in all-solid-state batteries (ASSBs). These defects can significantly alter the mechanical and…

While computational methods for the study of point defects in materials have received significant attention, methods for the investigation of grain boundaries require further development. In this study, we applied a genetic algorithm to…

Amorphous complexions have recently been demonstrated to simultaneously enhance the ductility and stability of certain nanocrystalline alloys. In this study, three quinary alloys (Cu-Zr-Hf-Mo-Nb, Cu-Zr-Hf-Nb-Ti, and Cu-Zr-Hf-Mo-W) are…

The interaction of grain boundaries (GBs) with inherent defects and/or impurity elements in multi-crystalline silicon play a decisive role in their electrical behavior. Strain, depending on the types of GBs and defects, plays an important…

In magnesium alloys with multiple substitutional elements, solute segregation at grain boundaries (GBs) has a strong impact on many important material characteristics, such as GB energy and mobility, and therefore, texture. Although it is…

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…

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 threshold dynamics model of grain growth that accounts for the anisotropy in the grain boundary energy has been used to simulate experimentally observed grain growth of polycrystalline Ni. The simulation reproduces several aspects of the…

Based on ab-initio simulations, we report on the nature of principally different mechanisms for interaction of Mg and Zn atoms with grain boundaries in Al alloys leading to different morphology of segregation. The Mg atoms segregate in…

Alloying a material and hence segregating solutes to grain boundaries is one way to tailor a material to the demands of its application. Direct observation of solute segregation is necessary to understand how the interfacial properties are…

The coercive field of permanent magnets decreases with increasing grain size. The grain size dependence of coercivity is explained by a size dependent demagnetizing factor. In Dy free Nd$_2$Fe$_{14}$B magnets the size dependent…

A Cu-Cr composite was processed by severe plastic deformation to investigate the role of interphase boundaries on the grain size reduction mechanisms. The as-deformed material exhibits a grain size of only 20nm. This gives rise to a…

Morphological instability of a planar surface ([111], [011], or [001]) of an ultra-thin metal film is studied in a parameter space formed by three major effects (the quantum size effect, the surface energy anisotropy and the surface stress)…

Structural, cohesive, and magnetic properties of two symmetric $\Sigma3(111)$ and $\Sigma5(210)$ tilt grain boundaries (GBs) in pure bcc Fe and in dilute FeCr alloys are studied from first principles. Different concentration and position of…

The three-dimensional microstructure of Ni, observed after five annealing intervals, was compared to simulations of grain growth using the threshold dynamics method with the assumption of capillarity as the only driving force. A…

We discuss the finite-size properties of a simple integrable quantum field theory in 1+1 dimensions with non-trivial boundary conditions. Novel off-critical identities between cylinder partition functions of models with differing boundary…

Grain boundary complexions have been observed to affect the mechanical behavior of nanocrystalline metals, improving both strength and ductility. While an explanation for the improved ductility exists, the observed effect on strength…

This paper focuses on size effects in periodic mechanical metamaterials driven by reversible pattern transformations due to local elastic buckling instabilities in their microstructure. Two distinct loading cases are studied: compression…