Properties of nanocrystalline metals or alloys cannot be predicted according to the phenomena observed in traditional coarse-grained materials. Nanocrystalline materials exhibit special physical and chemical properties, such as extremely high mechanical strength, outstanding thermal, optical, magnetic and electrical properties. Deformation mechanisms of nanocrystalline materials have been discussed for many years. Previous literatures mainly focus on the investigation of deformation behaviors through in-situ experimental methods such as in-situ TEM observation or simulation methods by modeling. With regard to the in-situ TEM observation, it still remains controversial whether the TEM results can represent the deformation behaviors of bulk nanocrystalline materials. In line with the molecular dynamics simulation method, the materials are frequently assumed to be ideal and the strain rate utilized is extraordinarily high. All the above conditions almost cannot be met or validated through experiments. In this work, it is attempted to explore deformation mechanisms of nanocrystalline face-centered cubic metals or alloys based on texture evolution during plastic deformation. Dislocation movements in plastic deformation process are always followed by formation of deformation texture in most cases, and plastic deformation coordinated by grain boundary sliding and/or grain rotation mechanisms does not incur the occurrence of crystallographic texture. Therefore, investigations on texture evolution during plastic deformation are able to provide powerful evidence for the deformation mechanisms of nanocrystalline materials.
Calculations and Simulations of Low-Dimensional Materials A comprehensive guide to methods for calculating and simulating the properties of low-dimensional materials Two-dimensional materials are those, such as graphene and 2D oxides, whose thickness is so small as to approach the atomic scale. Potential applications for these materials exist in an enormous range of scientific and industrial fields. A previous era of low-dimensional materials focused on direct experimentation to demonstrate the properties, reactions, and potential applications of these materials; however, in recent years, calculation and simulation have been shown to have considerable predictive power, reducing the period between design and deployment of these potentially critical materials. Calculations and Simulations of Low-Dimensional Materials offers the first comprehensive survey of this exciting new approach to low-dimensional materials. It guides readers through the foundational physics and through a range of calculation and simulation methods, each with different predictive capacities. Mastery of these methods will enable readers to narrowly tailor the properties of particular materials towards real-world applications, providing confidence in the underlying mechanics and in the range of possible outcomes. Calculations and Simulations of Low-Dimensional Materials readers will also find: Broad coverage of material properties, including electronic, spin, magnetic, photonic, optical, electrochemical and transport properties Discussion of potential applications in areas such as electronics, spintronics, and valleytronics Examination of further potential applications regarding quantum Hall phase, photonics, optoelectronics, multiferroic, and photocatalysis Calculations and Simulations of Low-Dimensional Materials is a useful reference for materials scientists, electrochemists, inorganic chemists, physical chemists, photochemists, and the libraries that support these professions.
Properties of nanocrystalline metals or alloys cannot be predicted according to the phenomena observed in traditional coarse-grained materials. Nanocrystalline materials exhibit special physical and chemical properties, such as extremely high mechanical strength, outstanding thermal, optical, magnetic and electrical properties. Deformation mechanisms of nanocrystalline materials have been discussed for many years. Previous literatures mainly focus on the investigation of deformation behaviors through in-situ experimental methods such as in-situ TEM observation or simulation methods by modeling. With regard to the in-situ TEM observation, it still remains controversial whether the TEM results can represent the deformation behaviors of bulk nanocrystalline materials. In line with the molecular dynamics simulation method, the materials are frequently assumed to be ideal and the strain rate utilized is extraordinarily high. All the above conditions almost cannot be met or validated through experiments. In this work, it is attempted to explore deformation mechanisms of nanocrystalline face-centered cubic metals or alloys based on texture evolution during plastic deformation. Dislocation movements in plastic deformation process are always followed by formation of deformation texture in most cases, and plastic deformation coordinated by grain boundary sliding and/or grain rotation mechanisms does not incur the occurrence of crystallographic texture. Therefore, investigations on texture evolution during plastic deformation are able to provide powerful evidence for the deformation mechanisms of nanocrystalline materials.
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