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Solute decoration at grain boundaries (GB) leads to a number of phenomenon such as changes in interface structure,mobility,cohesion etc.Recent experimental investigations on interfacial segregation in steels are based on microstructural…

材料科学 · 物理学 2022-03-01 Mainak Saha

Grain structure plays a key role in the mechanical properties of alloy materials. Engineering the grain structure requires a comprehensive understanding of the evolution of grain boundaries (GBs) when a material is subjected to various…

材料科学 · 物理学 2021-10-26 Junyan He , Nikhil Chandra Admal

Grain boundary (GB) segregation is a powerful approach for optimizing the thermal and mechanical properties of metal alloys. In this study, we report significant GB interstitial segregation in a representative substitutional binary alloy…

材料科学 · 物理学 2025-05-27 Zuoyong Zhang , Chuang Deng

Grain boundary (GB) energy is a fundamental property that affects the form of grain boundary and plays an important role to unveil the behavior of polycrystalline materials. With a better understanding of grain boundary energy distribution…

计算物理 · 物理学 2020-02-04 Haoyu Wang , Srikanth Patala , Brian J. Reich

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…

材料科学 · 物理学 2022-06-13 Chuanqi Zhu , Yuichiro Koizumi , Chunwen Guo

A multi-phase field model is employed to study the microstructural evolution of an alloy undergoing liquid dealloying. The model proposed extends upon the original approach of Geslin et al. to consider dealloying in the presence of grain…

材料科学 · 物理学 2023-08-07 Nathan Bieberdorf , Mark D. Asta , Laurent Capolungo

Grain boundaries (GBs) can be treated as two-dimensional (2-D) interfacial phases (also called 'complexions') that can undergo interfacial phase-like transitions. As bulk phase diagrams and calculation of phase diagram (CALPHAD) methods are…

材料科学 · 物理学 2022-09-05 Jian Luo

Dopants can significantly affect the properties of oxide ceramics through their impact on the property-determined microstructure characteristics such as grain boundary (GB) segregation, space charge layer formation in the GB vicinity, and…

An original thermodynamically consistent large strains-based multiphase phase-field (PF) approach of Ginzburg-Landau type is developed for studying the grain boundary (GB)-induced martensitic transformations (MTs) in polycrystalline…

材料科学 · 物理学 2022-06-24 Anup Basak

Previous research focused on two different mechanisms of microstructure stabilization in alloys: thermodynamic stabilization by reducing the grain boundary (GB) free energy and kinetic stabilization by suppressing the GB mobility by solute…

材料科学 · 物理学 2026-02-12 Omar Hussein , Yuri Mishin

Pinning-type magnets maintaining high coercivity, i.e. the ability to sustain magnetization, at high temperature are at the core of thriving clean-energy technologies. Among these, Sm2Co17-based magnets are excellent candidates owing to…

We have developed a new global optimization method for the determination of interface structure based on the differential evolution algorithm. Here, we applied this method to search for the ground state atomic structures of the grain…

材料科学 · 物理学 2015-06-16 Zheng-Lu Li , Hai-Yuan Cao , Ji-Hui Yang , Qiang Shu , Yue-Yu Zhang , Hongjun Xiang , Xingao Gong

Grain boundaries (GBs) trigger structure-specific chemical segregation of solute atoms. According to the three-dimensional (3D) topology of grains, GBs - although defined as planar defects - cannot be free of curvature. This implies…

Grain boundaries (GBs) are central defects for describing polycrystalline materials, and playing major role in a wide-range of physical properties of polycrystals. Control over GB kinetics provides effective means to tailor polycrystal…

材料科学 · 物理学 2018-10-10 Jian Han , Spencer L. Thomas , David J. Srolovitz

Soft-solid molecular crystals consist of crystalline grains and fluid grain boundaries (GB) that enhance grain binding and transport of Li+ ions between the grains. The total ionic conductivity consists of ion migration in both the grains…

The gradient crystal plasticity framework of Wulfinghoff et al. [53] incorporating an equivalent plastic strain and grain boundary yielding, is extended with additional grain boundary hardening. By comparison to averaged results from many…

计算物理 · 物理学 2015-12-18 E. Bayerschen , M. Stricker , S. Wulfinghoff , D. Weygand , T. Böhlke

Grain boundaries (GBs) profoundly influence the properties and performance of materials, emphasizing the importance of understanding the GB structure and phase behavior. As recent computational studies have demonstrated the existence of…

材料科学 · 物理学 2025-01-28 Enze Chen , Tae Wook Heo , Brandon C. Wood , Mark Asta , Timofey Frolov

The ionic conductivity at the grain boundaries (GBs) in oxide ceramics is typically several orders of magnitude lower than that within the grain interior. This detrimental GB effect is the main bottleneck for designing high-performance…

材料科学 · 物理学 2025-01-20 Xiang-Long Peng , Bai-Xiang Xu

Nanoindentation is a convenient method to investigate the mechanical properties of materials on small scales by utilizing low loads and small indentation depths. However, the effect of grain boundaries (GB) on the nanoindentation response…

材料科学 · 物理学 2019-03-27 Songjiang Lu , Bo Zhang , Xiangyu Li , Junwen Zhao , Michael Zaiser , Haidong Fan , Xu Zhang

The microstructural evolution at and near pre-existing grain boundaries (GBs) and dislocations in materials under high radiation doses is still poorly understood. In this work, we use the creation relaxation algorithm (CRA) developed for…