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External magnetic fields provide a macroscopic control mechanism to influence the microstructure of polycrystalline materials. We model the influence of strong magnetic fields on grain growth in thin films with a magnetic extended phase…

Materials Science · Physics 2023-01-02 Rainer Backofen , Axel Voigt

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…

Materials Science · Physics 2023-08-07 Nathan Bieberdorf , Mark D. Asta , Laurent Capolungo

Residual stress and plastic strain in additive manufactured materials can exhibit significant microscopic variation at the powder scale, profoundly influencing the overall properties of printed components. This variation depends on…

Materials Science · Physics 2024-06-19 Yangyiwei Yang , Somnath Bharech , Nick Finger , Xiandong Zhou , Joerg Schroeder , Bai-Xiang Xu

The twist-grain-boundary (TGB) phases, characterized by a periodic, helical arrangement of blocks made of polar smectic phases, SmAF and SmCF, have been discovered. They have been observed for rod-like molecules with a strong longitudinal…

The plastic events occurring during the process of intergranular fracture in metals is still not well understood due to the complexity of grain boundary (GB) structures and their interactions with crack-tip dislocation plasticity. By…

Materials Science · Physics 2024-10-29 Kai Zhao , Yu Ding , Haiyang Yu , Jianying He , Zhiliang Zhang

The present work investigates the role of grain boundary (GB) on the sources of size effects. Up to now, several studies have been conducted to address the role of GBs in size effects from the atomistic point of view. However, a study which…

Materials Science · Physics 2016-09-20 George Z. Voyiadjis , Mohammadreza Yaghoobi

Thin film dynamics and associated instability mechanisms have triggered a wide range of scientific innovations, as attributed to their abilities of creating fascinating patterns over small scales. Here, we demonstrate a new thin film…

Fluid Dynamics · Physics 2014-12-04 Debapriya Chakraborty , Suman Chakraborty

Grain boundaries in Sr-doped LaMnO3 thin films have been shown to strongly influence the electronic and oxygen mass transport properties, being able to profoundly modify the nature of the material. The unique behaviour of the grain…

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

We report new ground-state structures and phase transitions in $\Sigma$5[001] tilt grain boundaries (GBs) in body-centered cubic (BCC) refractory metals Nb, Ta, Mo, and W. $\Sigma$5 tilt GBs have been extensively investigated over the past…

Materials Science · Physics 2025-08-19 Enze Chen , Timofey Frolov

Twinning in crystalline materials plays an important role in many transformation and deformation processes, where underlying mechanisms can be strongly influenced by the structural, energetic and kinetic properties of associated twin…

We design, fabricate and test heterogeneous architected polycrystals, composed of hard plastomers and soft elastomers, which thus show outstanding mechanical resilience and energy dissipation simultaneously. Grain boundaries that separate…

Soft Condensed Matter · Physics 2025-04-15 Seunghwan Lee , Hansohl Cho

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…

We study the core structure of the twist-grain-boundary (TGB) phase of chiral liquid crystals by numerically minimizing the Landau-de Gennes free energy. We analyze the morphology of layers at the grain boundary, to better understand the…

Soft Condensed Matter · Physics 2007-05-23 Hiroto Ogawa , Nariya Uchida

In this work we derive conditions that predict the existence of two-phase periodic-pattern grain boundary structures that are stable against coarsening. While previous research has established that elastic effects can lead to phase pattern…

Materials Science · Physics 2023-12-14 Ian S. Winter , Timofey Frolov

Current implementations of the stellar atmosphere typically derive boundary conditions for the interior model from either grey plane-parallel atmospheres or scaled solar atmospheres, neither of which can be considered to have appropriate…

Solar and Stellar Astrophysics · Physics 2018-07-11 Graham Wagstaff , Achim Weiss

Significant grain growth is observed during the high-pressure phase transformations (PTs) at room temperature within an hour for various materials. However, no existing theory explains this phenomenon since nanocrystals do not grow at room…

In this paper, the Fe-20Ni-25Cr alloy that is used for fuel cladding or pressure vessels with various grain boundaries (GBs) was investigated by employing molecular dynamics simulations. The bi-crystals comprised of {\Sigma}3(111),…

Materials Science · Physics 2021-02-26 Zhijia Liu , Zehua Feng , Heran Wang , Yunpeng Zhang , Zheng Chen , Fanchao Meng , Jing Zhang

We develop the Elastically Collective Nonlinear Langevin Equation theory to investigate, for the first time, glassy dynamics in capped metallic glass thin films. Finite-size effects on the spatial gradient of structural relaxation time and…

Soft Condensed Matter · Physics 2022-02-02 Anh D. Phan

A threshold dynamics model of grain growth that accounts for the anisotropy in the grain boundary energy has been used to simulate experimentally observed grain growth of polycrystalline Ni. The simulation reproduces several aspects of the…