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Theory, Modeling, and Simulation of Magnetic Hybrid Nanoalloys

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Handbook of Magnetic Hybrid Nanoalloys and their Nanocomposites

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Abstract

Since prehistoric times, the frequent route for material development was by alloying of elements having complementary qualities to tailor their physical behavior. After investigating for decades on the effects of reduced size and dimensionality on single-element nanostructures, the research has been progressively shifted toward multicomponent nanoscale alloys. Nanostructured motifs created by alloying metals establishes novel structure-property relationships. The properties of nanoalloys are mainly dependent on their composition, temperature for preparation, etc. to get desirable material for specific industrial and scientific applications. Size-dependent phase diagram modeling allows the prediction of phase equilibria and possible alternative materials for real systems. Therefore, it has become inevitable to deeply understand the thermodynamic properties of magnetic nanoalloys. However, the presented chapter gives an insight on some of the theories for gaining knowledge over nanoalloys such as density functional theory (DFT). Furthermore, theoretical methods (e.g., CALPAD method) for phase diagram modeling are also discussed in the trailing sections. Applications of materials claim multifunctionality thus demanding design and development of responsive and adaptive materials where their exhibited properties progress in a controlled and predictable manner. In this context, magnetic transition metals show various interesting possibilities that are based on theoretical and experimental research activities. Therefore, understanding the magnetic behavior of alloys at nanoscale would probably leads in designing of novel magnetic and electronic components and hence opens new pathway toward more advanced technological applications. This chapter discusses fundamental theoretical and modeling perspective of magnetic hybrid nanoalloys to tailor challenges and achievements of these materials.

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Authors and Affiliations

  1. Department of Applied Science and Humanities, DPG Institute of Technology and Management, Gurugram, India

    Rimmy Singh

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  1. Rimmy Singh
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Section Editor information

  1. Université de Bretagne Sud (UBS), Lorient Cedex, France

    Yves Grohens

  2. International and Inter University Centre for Nanoscience and Nanotechnology, Mahatma Gandhi University, Kottayam, Kerala, India

    Nandakumar Kalarikkal

  3. Department of Polymers Technology, Gdansk University of Technology, Cemical Faculty, Gdansk, Poland

    Józef T. Haponiuk

  4. College of Science, Engineering and Technology, Department of Mechanical and Industrial Engineering, University of South Africa (UNISA), Johannesburg, South Africa

    Fulufhelo Nemavhola

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Singh, R. (2022). Theory, Modeling, and Simulation of Magnetic Hybrid Nanoalloys. In: Handbook of Magnetic Hybrid Nanoalloys and their Nanocomposites. Springer, Cham. https://doi.org/10.1007/978-3-030-34007-0_14-1

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  • DOI: https://doi.org/10.1007/978-3-030-34007-0_14-1

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  • Print ISBN: 978-3-030-34007-0

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