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A ductility criterion for bcc high entropy alloys

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Surface segregation in high-entropy alloys from alchemical machine learning

Michele Ceriotti, Guillaume André Jean Fraux, Arslan Mazitov, Sandip De, Nataliya Lopanitsyna

High-entropy alloys (HEAs), containing several metallic elements in near-equimolar proportions, have long been of interest for their unique mechanical properties. More recently, they have emerged as a promising platform for the development of novel heterog ...

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Modeling high-entropy transition metal alloys with alchemical compression

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Alloys composed of several elements in roughly equimolar composition, often referred to as high-entropy alloys, have long been of interest for their thermodynamics and peculiar mechanical properties, and more recently for their potential application in cat ...

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Computer simulations based on statistical methods have emerged as a powerful tool for studying structure-property relationships at the atomistic level. However, to provide reliable insights into materials in realistic conditions, it is essential to accurat ...

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Crystalline or amorphous? A critical evaluation of phenomenological phase selection rules

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In this work, we reviewed the available phase selection rules comprising atomic size and topological aspects, entropies, enthalpies, melting points, valence and itinerant electron concentrations, as well as electronegativity, and validated them using a car ...

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Strengthening mechanisms in dilute and random solid solution high-entropy BCC alloys

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Tuning the mechanical properties of metals, including strength, through adjusting the type and/or concentration of added solute elements, has been recognized as an effective way to design and produce materials with desired or optimized mechanical propertie ...

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The material and exact shape of a nanostructure determine its optical response, which is especially strong for plasmonic metals. Unfortunately, only a few plasmonic metals are available, which limits the spectral range where these strong optical effects ca ...

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Theory-guided design of high-strength, high-melting point, ductile, low-density, single-phase BCC high entropy alloys

William Curtin, Christian Leinenbach, Carolina Baruffi, You Rao

The search for new high-temperature alloys that can enable higher-efficiency/lower-emissions power generation has accelerated with the discovery of body-centered cubic (bcc) refractory High Entropy Alloys (HEAs). These many-component, non-dilute alloys in ...

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Atomic scale investigations of fracture in metal alloys

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The demand for metal alloys with superior structural performance in industrial applications continues to increase, as does the need for more-energy efficient materials and methods. Many materials that are otherwise attractive for structural applications ar ...

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Optimization of composition and structure of cemented carbide cutting tools

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WC-Co cemented carbides are composites, which combine a hard phase consisting of WC grains and a metallic ductile phase as a binder. Their excellent mechanical properties, combining high hardness, toughness and refractory properties, make them excellent ma ...

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Atomic Scale Investigations into the Origins of Ductility in Mg Alloys

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The industrial applications of Mg, the lightest structural metal, and abundant in Earth's crust, are hampered by its low intrinsic ductility and low fracture toughness at room temperature which is attributed to the underlying less symmetric and plastically ...

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