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Grain boundaries often exhibit ordered atomic structures. Increasing amounts of evidence have been provided by transmission electron microscopy and atomistic computer simulations that different stable and metastable grain boundary…

Materials Science · Physics 2023-02-14 Tobias Brink , Lena Langenohl , Hanna Bishara , Gerhard Dehm

We consider the grain growth and stagnation in polycrystalline microstructures. From the phase field crystal modelling of the coarsening dynamics, we identify a transition from a grain-growth stagnation upon deep quenching below the melting…

Materials Science · Physics 2013-09-20 Mathias Bjerre , Jens Magelund Tarp , Luiza Angheluta , Joachim Mathiesen

We study the efficiency of grain alignment by radiative torques (RATs) for an ensemble of irregular grains. The grains are modeled as ensembles of oblate and prolate spheroids, deformed as Gaussian random ellipsoids, and their scattering…

Astrophysics of Galaxies · Physics 2021-06-02 Joonas Herranen , A. Lazarian , Thiem Hoang

Nanoindentation, a common technique for probing the mechanical properties of crystalline materials, exhibits both surface and bulk-dominated responses that are linked to the parent crystal's elasticity and plasticity. For FCC crystals, the…

Materials Science · Physics 2020-02-04 Michail Tzimas , John Michopoulos , Giacomo Po , Andrew C. E. Reid , Stefanos Papanikolaou

The effect of grain size on the flow strength of FCC polycrystals was analyzed by means of computational homogenization. The mechanical behavior of each grain was dictated by a dislocation-based crystal plasticity model in the context of…

Materials Science · Physics 2019-09-04 R. A. Rubio , S. Haouala , J. LLorca

The description of distributions related to grain microstructure helps physicists to understand the processes in materials and their properties. This paper presents a general statistical methodology for the analysis of crystallographic…

Materials Science · Physics 2022-11-22 I. Karafiátová , J. Møller , Z. Pawlas , J. Staněk , F. Seitl , V. Beneš

The study of grain boundary phase transitions is an emerging field until recently dominated by experiments. The major bottleneck in exploration of this phenomenon with atomistic modeling has been the lack of a robust computational tool that…

Materials Science · Physics 2018-02-21 Qiang Zhu , Amit Samanta , Bingxi Li , Robert E. Rudd , Timofey Frolov

Granular aluminium is a high kinetic inductance thin film superconductor which, when formed into nanowires can undergo an intrinsic electromigration process. We use a combination of experimental and computational approaches to investigate…

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

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…

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…

Grain-boundary (GB) dynamics control the stability, mechanical, and functional response of nanocrystalline materials, but direct experimental access to their slow non-equilibrium motion has been limited. Here we establish X-ray photon…

We present a detailed numerical study on structure and local magnetic properties of $\langle 100 \rangle$ symmetric tilt grain boundaries in bcc-iron. Particular attention is paid to connection between type of grain boundary relaxation and…

Materials Science · Physics 2017-02-13 E. Vitkovská , P. Ballo

Microstructural evolution, particularly grain growth, plays a critical role in shaping the physical, optical, and electronic properties of materials. Traditional phase-field modeling accurately simulates these phenomena but is…

Materials Science · Physics 2026-04-15 Iman Peivaste , Ahmed Makradi , Salim Belouettar

Achieving a combination of high mechanical strength and high electrical conductivity in low-weight Al alloys requires a full understanding of the relationships between nanoscaled features and physical properties. Grain boundary…

Materials Science · Physics 2020-08-27 Xavier Sauvage , Fabien Cuvilly , Alan Russell , Kaveh Edalati

Cellulose nanocrystals (CNCs) are a type of cellulose with excellent mechanical performance and other merit attributes. According to previous reports, hydrogen bonds play a pivotal role in the anisotropic structure of the CNC. Understanding…

Computational Physics · Physics 2026-05-12 Xu Dong

Grain size engineering, particularly reducing grain size into the nanocrystalline regime, offers a promising pathway to further improve the strength-to-weight ratio of Al alloys. Unfortunately, the fabrication of nanocrystalline metals…

Materials Science · Physics 2021-10-07 Tianjiao Lei , Jungho Shin , Daniel S. Gianola , Timothy J. Rupert

Atomistic simulations have become a powerful tool in materials research due to the extremely fine spatial and temporal resolution provided by such techniques. In order to understand the fundamental principles which govern material behavior…

Materials Science · Physics 2014-08-26 Jason F. Panzarino , Timothy J. Rupert

Growth of nanoclusters and nanopillars is considered in a model of surface deposition of building blocks (atoms) diffusionally transported from solution to the forming surface structure. Processes of surface restructuring are also accounted…

Materials Science · Physics 2014-05-07 V. Privman , V. Gorshkov , O. Zavalov

Predicting microstructure evolution during thermomechanical treatment is essential for determining the final mechanical properties of a material, yet conventional simulations based on Partial Differential Equations (PDEs) remain…

Materials Science · Physics 2026-03-26 Pungponhavoan Tep , Marc Bernacki