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Grain boundary engineering via dopant segregation can dramatically change the properties of a material. For metallic systems, most current studies concerning interfacial segregation and subsequent transitions of grain boundary structure are…
Two aspects of filamentary molecular cloud evolution are addressed: (1) Exploring analytically the role of the environment for the evolution of filaments demonstrates that considering them in isolation (i.e. just addressing the…
In this work the effects of impurity in various insulating phases of the twisted bilayer graphene (TBG) are studied. The well-accepted continuum model\cite{b} is employed and the local density of states (DOS) is calculated. It is found that…
In order to control the grain structure of multi-crystalline (mc) silicon during directional solidification, the development process of grain boundaries (GBs) with respect to the temperature gradient should be understood. A phase-field…
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…
Solute segregation in alloys is a key phenomenon which affects various material characteristics such as embrittlement, grain growth and precipitation kinetics. In this work, the segregation energies of Y, Zr, and Nb to a \textgreek{S}5…
Structural transformations at interfaces are of profound fundamental interest as complex examples of phase transitions in low-dimensional systems. Despite decades of extensive research, no compelling evidence exists for structural…
An ultrafine grained magnesium alloy has been produced through room temperature high-pressure torsion (HPT) of solutionised Mg-1.35 wt.%Mn. Dynamic precipitation of nanometer-scale Mn particles occurred during deformation. These particles…
The grain boundaries (GBs) of a graphene surface were extensively studied because GBs with specific defect configurations result in the formation of new curved structures, which can be treated as new carbon allotropes. We studied the…
Microstructural analysis of a Mg-Zn alloy deformed at room temperature by high-pressure torsion (HPT) indicates that fine-scale precipitation occurs even without post-deformation heat treatment. Small-angle X-ray scattering detects…
We propose a computational procedure for creating a stable equilibrium triple junction (TJ) with controlled grain misorientations. We apply this procedure to construct a TJ between a {\Sigma}5(210) grain boundary (GB) and two general…
Grain boundaries play a major role for electron transport in graphene sheets grown by chemical vapor deposition. Here we investigate the electronic structure and transport properties of idealized graphene grain boundaries (GBs) in…
Grain boundaries (GBs) are defects originating in multi-crystalline silicon during crystal growth for device Si solar cell fabrication. The presence of GBs changes the coordination of Si, making it advantageous for charge carriers to…
Precipitation of the \gamma' (AlAg2) phase was investigated in Al-Ag(-Cu) alloys using high resolution transmission electron microscopy and scanning transmission electron microscopy. Precipitation commenced with segregation of silver to…
Tailoring the nanoscale distribution of chemical species at grain boundaries is a powerful method to dramatically influence the properties of polycrystalline materials. However, classical approaches to the problem have tacitly assumed that…
We present the results of first-principles calculations of selected structural and thermodynamic properties of a set of grain boundaries (GBs) in zirconium, spanning a range of misorientation angles and boundary planes. We performed…
The erosion and transport of particles by an impinging turbulent jet in air is observed in various situations, such as the cleaning of a surface or during the landing of a spacecraft. The presence of inter-particle cohesive forces modifies…
Refractory multi-principal element alloys exhibiting promising mechanical properties such as excellent strength retention at elevated temperatures have been attracting increasing attention. Although their inherent chemical complexity is…
Defects such as grain boundaries (GBs) are almost inevitable during the synthesis process of 2D materials. To take advantage of the fascinating properties of 2D materials, understanding the nature and impact of various GB structures on the…
We report on atomic-scale analyses of oxygen distribution and segregation at grain boundaries (GBs) of Nb and Ta-encapsulated Nb (Ta/Nb) thin films for superconducting qubits using atom-probe tomography (APT) and transmission electron…