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This paper investigates the statistical behavior of two-dimensional grain microstructures during grain growth under anisotropic grain boundary characters. We employ the threshold-dynamics method, which allows for unparalleled computational…

材料科学 · 物理学 2023-09-19 Jaekwang Kim , Nikhil Chandra Admal

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 study the dynamics and morphology of grain growth with anisotropic energy and mobility of grain boundaries using a generalized phase field model. In contrast to previous studies, both inclination and misorientation of the boundaries are…

材料科学 · 物理学 2009-10-31 A. Kazaryan , Y. Wang , S. A. Dregia , Bruce R. Patton

Grain boundaries affect properties of polycrystalline materials. The influence of a boundary is largely determined by its energy. Grain boundary energy is often portrayed as a function of macroscopic boundary parameters representing grain…

材料科学 · 物理学 2025-01-07 Adam Morawiec

Models of grain boundary energy are essential for predicting the behavior of polycrystalline materials. Typical models represent the minimum boundary energy as a function of macroscopic boundary parameters. An energy model may allow for…

材料科学 · 物理学 2025-10-21 Adam Morawiec

High energy x-ray diffraction microscopy was used to image the microstructure of $\alpha$-Fe before and after a 600 $^\circ$C anneal. These data were used to determine the areas, curvatures, energies, and velocities of approximately 40,000…

A continuum grain boundary model is developed that uses experimentally measured grain boundary energy data as a function of misorientation to simulate idealized grain boundary evolution in a 1-D grain array. The model uses a continuum…

材料科学 · 物理学 2024-01-29 Syed Ansari , Amit Acharya , Alankar Alankar

We propose to incorporate grain boundary (GB) anisotropy in phase-field modeling by extending the standard partial differential equations formulation to include a nonlocal functional of an orientation field. Regardless of the number of…

材料科学 · 物理学 2026-02-09 Xiao Han , Axel van de Walle

The grain boundary-mediated mechanisms that control plastic deformation of nanocrystalline metals should cause evolution of the grain boundary network, since they directly alter misorientation relationships between crystals. Unfortunately,…

材料科学 · 物理学 2016-07-21 Jason F. Panzarino , Timothy J. Rupert

To investigate the barrier effect of grain boundaries on the propagation of avalanche-like plasticity at the atomic-scale, we perform three-dimensional molecular dynamics simulations by using simplified polycrystal models including…

材料科学 · 物理学 2017-01-19 Tomoaki Niiyama , Tomotsugu Shimokawa

Grain boundaries dramatically affect the properties of polycrystalline materials because of differences in atomic configuration. To fully understand the relationship between grain boundaries and materials properties, systematic studies of…

材料科学 · 物理学 2021-01-19 Shin Kiyohara , Tomohiro Miyata , Teruyasu Mizoguchi

Microstructural evolution in structural materials is known to occur in response to mechanical loading and can often accommodate substantial plastic deformation through the coupled motion of grain boundaries (GBs). This can produce desirable…

介观与纳米尺度物理 · 物理学 2025-06-06 Daniel Bugas , Brandon Runnels

Many technologically useful materials are polycrystals composed of a myriad of small monocrystalline grains separated by grain boundaries. Dynamics of grain boundaries play a crucial role in determining the grain structure and defining the…

材料科学 · 物理学 2021-07-07 Katayun Barmak , Anastasia Dunca , Yekaterina Epshteyn , Chun Liu , Masashi Mizuno

The topological transitions that occur to the grain boundary network during grain growth in a material with uniform grain boundary energies are believed to be known. The same is not true for more realistic materials, since more general…

材料科学 · 物理学 2021-10-29 Erdem Eren , Jeremy K. Mason

Materials containing a high proportion of grain boundaries offer significant potential for the development of radiation-resistent structural materials. However, a proper understanding of the connection between the radiation-induced…

材料科学 · 物理学 2018-07-04 Yichao Zhu , Jing Luo , Xu Guo , Yang Xiang , Stephen Jonathan Chapman

Grain boundaries are thermodynamically unstable. Hence, their properties should be path-dependent: grain boundaries in nanocrystals prepared using different methods might exhibit different properties. Using molecular dynamics simulations,…

材料科学 · 物理学 2021-04-29 Hao Suna , Laurent Karim Béland

Grain boundary (GB) migration plays a crucial role in the thermal and mechanical responses of polycrystalline materials, particularly in ultrafine-grained and nano-grained materials exhibiting grain size-dependent properties. This study…

材料科学 · 物理学 2024-04-08 Liang Yang , Xinyuan Song , Tingting Yu , Dahai Liu , Chuang Deng

Recent grain growth experiments have revealed that the same type of grain boundary can have very different mobilities depending on its local microstructure. In this work, we use molecular dynamics simulations to quantify uncertainty in the…

材料科学 · 物理学 2022-11-17 Anqi Qiu , Ian Chesser , Elizabeth Holm

Anisotropy of interfacial energy is the principal driving force for material microstructure evolution yet its origins remain uncertain and a quantitative description lacking. We present and justify a concise hypothesis on the topography and…

材料科学 · 物理学 2013-05-07 Vasily V. Bulatov , Bryan W. Reed , Mukul Kumar

In this work, we investigate the shape evolution of rotated, embedded, initially cylindrical grains (with [001] cylinder axis) in Ni under an applied synthetic driving force via molecular dynamics simulations and a continuum,…

材料科学 · 物理学 2024-08-28 Anqi Qiu , Caihao Qiu , Ian Chesser , Jian Han , David Srolovitz , Elizabeth Holm
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