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First-Principles Approaches to Metals, Alloys, and Metallic Compounds

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ISBN: 9783038973584 9783038973591 Year: Pages: 180 DOI: 10.3390/books978-3-03897-359-1 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Mining and Metallurgy --- Chemistry (General)
Added to DOAB on : 2018-11-26 11:24:24
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Current fundamental electronic-structure theory allows for the accurate prediction and characterization of elemental metals adopting any allotropic structure, intermetallic compounds, and other metal-rich phases. From an engineering perspective, there is a need for structural materials that are suitable for mechanical and civil engineering as well as energy production and conversion. While different microstructural features influence the macroscopic behaviour, quantum-mechanical simulation may enormously accelerate and guide the entire development process since atomistic modelling allows for the generation of structural models and the calculation of enthalpies and other free energies as a function of pressure and temperature. Among other things, this volume covers high-manganese steels, some of which have come to light within Collaborative Research Centre 761 (“Steel ab initio”). In particular, it deals with short-range ordering from experiment and theory, also highlighting carbide-like precipitates, and it bridges the gap between atomistic and continuum levels, in particular for hydrogen embrittlement. Molecular dynamics simulates crack propagation, and first-principles theory helps in growing better intermetallic thin films and predicts structural and elastic properties. Eventually, multiscale modelling of hydrogen transport is provided, and the chemical reasons for H-trapping κ-carbides are highlighted. First-principles theory has acquired a powerful role in the fundamental and applied research of metals, alloys, and metallic compounds.

Small Scale Deformation using Advanced Nanoindentation Techniques

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ISBN: 9783038979661 / 9783038979678 Year: Pages: 168 DOI: 10.3390/books978-3-03897-967-8 Language: eng
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Technology (General)
Added to DOAB on : 2019-06-26 08:44:06
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Small scale mechanical deformations have gained a significant interest over the past few decades, driven by the advances in integrated circuits and microelectromechanical systems. One of the most powerful and versatile characterization methods is the nanoindentation technique. The capabilities of these depth-sensing instruments have been improved considerably. They can perform experiments in vacuum and at high temperatures, such as in-situ SEM and TEM nanoindenters. This allows researchers to visualize mechanical deformations and dislocations motion in real time. Time-dependent behavior of soft materials has also been studied in recent research works. This Special Issue on ""Small Scale Deformation using Advanced Nanoindentation Techniques""; will provide a forum for researchers from the academic and industrial communities to present advances in the field of small scale contact mechanics. Materials of interest include metals, glass, and ceramics. Manuscripts related to deformations of biomaterials and biological related specimens are also welcome. Topics of interest include, but are not limited to:

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