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Multi-valent (MV) battery architectures based on pairing a Mg metal anode with a high-voltage ($\sim$ 3 V) intercalation cathode offer a realistic design pathway toward significantly surpassing the energy storage performance of traditional…

Resorbable magnesium (Mg) alloys are promising candidates for temporary medical devices due to their biodegradability and favorable mechanical properties. To accelerate the design of diluted Mg alloys for implants, we developed a…

Materials Science · Physics 2026-04-23 Vickey Nandal , Vít Beneš , Pavel Baláž , Jiří Ryjáček , Karel Tesař

Bulk metallic glasses (BMGs) are amorphous alloys with desirable mechanical properties and processing capabilities. To date, the design of new BMGs has largely employed empirical rules and trial-and-error experimental approaches. Ab initio…

Materials Science · Physics 2015-06-23 Kai Zhang , Yanhui Liu , Jan Schroers , Mark D. Shattuck , Corey S. O'Hern

Thermodynamic bulk phase diagrams have become the roadmap used by researchers to identify alloy compositions and process conditions that result in novel materials with tailored microstructures. Recent experimental studies show that changes…

Materials Science · Physics 2023-03-15 A. Tehranchi , S. Zhang , A. Zendegani , C. Scheu , T. Hickel , J. Neugebauer

Used for centuries to enhance mechanical properties of materials, solid solution strengthening (SSS) is a classical metallurgical method in which small amounts of impurity elements are added to a base metal. Developed for dilute alloys,…

Materials Science · Physics 2025-02-28 Aoyan Liang , Nicolas Bertin , Xinran Zhou , Sylvie Aubry , Vasily V. Bulatov

Mg grain boundary (GB) segregation and GB diffusion can impact the processing and properties of Al-Mg alloys. Yet, Mg GB diffusion in Al has not been measured experimentally or predicted by simulations. We apply atomistic computer…

Materials Science · Physics 2020-11-05 R. K. Koju , Y. Mishin

Active learning (AL) can drastically accelerate materials discovery; its power has been shown in various classes of materials and target properties. Prior efforts have used machine learning models for the optimal selection of physical…

Materials Science · Physics 2021-10-18 David E. Farache , Juan C. Verduzco , Zachary D. McClure , Saaketh Desai , Alejandro Strachan

The development of resilient and lightweight Aluminum alloys is central to advancing structural materials for energy-efficient engineering applications. To address this challenge, in this study, we explore the elastic properties of Al-Mg-Zr…

In the drive towards higher strength alloys, a diverse range of alloying elements is employed to enhance their strength and ductility. Limited solid solubility of these elements in steel leads to segregation during casting which affects the…

Materials Science · Physics 2016-04-25 Bernard Ennis

One usual way to strengthen a metal is to add alloying elements and to control the size and the density of the precipitates obtained. However, precipitation in multicomponent alloys can take complex pathways depending on the relative…

Melting of MgO was studied using a multicanonical ensemble method combined with a first-principles calculation. This approach has been successively performed by using a rather simple functional form for a model inter-atomic potential that…

Materials Science · Physics 2015-05-13 Yoshihide Yoshimoto

Two different precipitate hardening aluminium alloys processed by friction stir welding were investigated. The microstructure and the hardness of the as delivered materials were compared to that of the weld nugget. Transmission electron…

Materials Science · Physics 2008-08-28 Xavier Sauvage , Anite Dédé , Alexandra Cabello Muñoz , Bertrand Huneau

Rapid solidification leads to unique microstructural features, where a less studied topic is the formation of various crystalline defects, including high dislocation densities, as well as gradients and splitting of the crystalline…

The article presents the results of corrosion-fatigue tests of industrial Al-Mg alloys were conducted in air and in a 3% NaCl aqueous solution. Fatigue curves can be characterized using the Basquin equation and the plastic deformation model…

Materials Science · Physics 2026-01-13 Oleg Belkin , Vladimir Chuvil'deev , Mikhail Chegurov , Aleksey Nokhrin , Anatoly Sysoev

In certain naturally aged aluminum alloys, significant strengthening can be obtained due to the decomposition of a super-saturated solid solution into clusters. The origins of such strengthening remain unclear due to the challenge of…

Computational Physics · Physics 2018-11-28 Alban de Vaucorbeil , Chad W. Sinclair , Warren J. Poole

A combination of reaction-diffusion models with moving-boundary problems yields a system in which the diffusion (spreading and penetration) and reaction (transformation) evolve the system's state and geometry over time. These systems can be…

Computational Engineering, Finance, and Science · Computer Science 2020-08-26 Mojtaba Barzegari , Liesbet Geris

While intermetallic (IM)-metal interfaces in metallic alloys are critical for tuning mechanical properties, they can also act as failure sites, underscoring the importance of determining their strength. This study reports on a novel…

From systematic ab initio calculations of the alloy system Mg_{1-x}Al_{x}B_2, we find a strong tendency for the formation of a superstructure characterized by Al-rich layers. We also present a simple model, based on calculated energies and…

Superconductivity · Physics 2009-11-07 Sergey V. Barabash , David Stroud

The objective of this work is to assess computationally efficient coarse-grained plasticity models against high-fidelity crystal plasticity simulations for magnesium polycrystals over a wide range of textures and grain sizes. A basic…

Materials Science · Physics 2026-01-13 R. Vigneshwaran , Showren Datta , A. A. Benzerga , Shailendra P. Joshi

Bioresorbable Mg-based alloys with low density, low elastic modulus, and excellent biocompatibility are outstanding candidates for temporary orthopedic implants. Coincidentally, metal additive manufacturing (AM) is disrupting the biomedical…

Materials Science · Physics 2024-04-25 D. Tourret , R. Tavakoli , A. D. Boccardo , A. K. Boukellal , M. Li , J. Molina-Aldareguia