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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…

Materials Science · Physics 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…

Materials Science · Physics 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…

Materials Science · Physics 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…

Materials Science · Physics 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…

Materials Science · Physics 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…

Materials Science · Physics 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,…

Materials Science · Physics 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…

Materials Science · Physics 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…

Materials Science · Physics 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…

Mesoscale and Nanoscale Physics · Physics 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…

Materials Science · Physics 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…

Materials Science · Physics 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…

Materials Science · Physics 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,…

Materials Science · Physics 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…

Materials Science · Physics 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…

Materials Science · Physics 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…

Materials Science · Physics 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,…

Materials Science · Physics 2024-08-28 Anqi Qiu , Caihao Qiu , Ian Chesser , Jian Han , David Srolovitz , Elizabeth Holm
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