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Molybdenum disulphide (MoS2) is a layered, hexagonal crystal that has a very low coefficient of friction. Due to this low coefficient of friction, MoS2 has become a well-known solid lubricant and liquid lubricant additive. As such, nanoparticles of MoS2 have been proposed as an additive to traditional liquid lubricants to provide frictional properties that are sensitive to different temperature and pressure regimes. However, to properly design these MoS2 nanoparticles to be sensitive to different temperature and pressure regimes, it is necessary to understand the mechanical response of crystalline MoS2 under mechanical loading. Specifically, the fundamental mechanism associated with the nucleation and interaction of defects as well as intralayer fracture. This thesis addressed the mechanical response of crystalline MoS2 via contact deformation (nanoindentation) simulations, which is representative of the loading conditions experienced by these nanoparticles during synthesis and application. There are two main tasks to this thesis. First, a Mo-S interatomic potential (a combination of the reactive empirical bond-order (REBO) interatomic potential and the Lennard-Jones 12-6 interatomic potential) that has been parameterized specifically to investigate the tribological properties of MoS2 was implemented into the classical molecular simulation package, LAMMPS, and refined to provide improved predictions for the mechanical properties of MoS2 via molecular statics calculations. Second, using this newly implemented interatomic potential, molecular statics calculations were performed to investigate the mechanical response of MoS2 via nanoindentation with specific focus on the nucleation of defects. Nanoindentation force - displacement curves were compared to the Hertzian contact theory prediction. It was shown that MoS2 does not follow the Hertzian prediction due it anisotropic nature. In addition, it was shown that the initial sudden force drop event in the force - displacement curves corresponds to plastic deformation. It was hypothesized that the mechanism associated with plastic failure of MoS 2 was the occurrence of broken bonds. However, it was proven that this initial plastic yield does not correspond to the occurrence of broken bonds in the MoS2 lattice; instead, a permanent slip occurred within or between the MoS2 layers.
Defects in Two-Dimensional Materials addresses the fundamental physics and chemistry of defects in 2D materials and their effects on physical, electrical and optical properties. The book explores 2D materials such as graphene, hexagonal boron nitride (h-BN) and transition metal dichalcogenides (TMD). This knowledge will enable scientists and engineers to tune 2D materials properties to meet specific application requirements. The book reviews the techniques to characterize 2D material defects and compares the defects present in the various 2D materials (e.g. graphene, h-BN, TMDs, phosphorene, silicene, etc.). As two-dimensional materials research and development is a fast-growing field that could lead to many industrial applications, the primary objective of this book is to review, discuss and present opportunities in controlling defects in these materials to improve device performance in general or use the defects in a controlled way for novel applications. Presents the theory, physics and chemistry of 2D materials Catalogues defects of 2D materials and their impacts on materials properties and performance Reviews methods to characterize, control and engineer defects in 2D materials
This book presents advanced synthesis techniques adopted to fabricate two-dimensional (2D) transition metal dichalcogenides (TMDs) materials with its enhanced properties towards their utilization in various applications such as, energy storage devices, photovoltaics, electrocatalysis, electronic devices, photocatalysts, sensing and biomedical applications. It provides detailed coverage on everything from the synthesis and properties to the applications and future prospects of research in 2D TMD nanomaterials.
Biomedical Applications of Graphene and 2D Nanomaterials provides a much-needed reference on the biomedical applications of 2D nanomaterials, as well as theoretical knowledge on their structure, physicochemical properties and biomedical applications. Chapters are dedicated to growth areas, such as size and shape-dependent chemical and physical properties and applications, such as in diagnostic and therapeutic products. The book also discusses the concept, development and preclinical studies of 2D nanomaterials-based biomedical tools, such as biosensors, artificial organs and photomedicine. Case studies and reports form the core of the book, making it an ideal resource on potential applications in biomedical science and engineering. This timely resource for scientists and engineers in this rapidly advancing field features contributions from over 30 leaders who address advanced methods and strategies for controlling the physical-chemical properties of 2D nanomaterials, along with expert opinions on a range of 2D nanomaterials that have therapeutic and diagnostic applications. - Presents advanced methods and strategies for controlling the physical-chemical properties of 2D nanomaterials - Provides state-of-the-art biomedical applications for 2D nanomaterials, including graphene and boron nitride - Includes key information from a broad selection of subject areas for researchers in both materials, engineering and medicine
Materials with layered structures remain an extensively investigated subject in current physics and chemistry. Most of the promising technological applications however deal with intercalation compounds of layered materials. Graphite intercalation compounds have now been known for a long time. Intercalation in transition metal dichalcogenides, on the other hand, has been investigated only recently. The amount of information on intercalated layered materials has increased far beyond the original concept for this volume in the series Physics and Chemistry of Materials with Layered Structures. The large size of this volume also indicates how important this field of research will be, not only in basic science, but also in industrial and energy applications. In this volume, two classes of materials are included, generally investigated by different scientists. Graphite intercalates and intercalates of other inorganic com pounds actually constitute separate classes of materials. However, the similarity between the intercalation techniques and some intercalation processes does not justify this separation, and accounts for the inclusion of both classes in this volume. The first part of the volume deals with intercalation processes and intercalates of transition metal dichalcogenides. Several chapters include connected topics necessary to give a good introduction or comprehensive review of these types of materials. Organic as well as inorganic intercalation compounds are treated. The second part includes contributions concerning graphite intercalates. It should be noted that graphite intercalation compounds have already been mentioned in Volumes I and V.
Solubilities of Inorganic and Organic Compounds, Volume 1: Binary Systems, Part 1 is part of an approximately 5,500-page manual containing a selection from the International Chemical Literature on the Solubilities of Elements, Inorganic Compounds, Metallo-organic and Organic Compounds in Binary, Ternary and Multi-component Systems. A careful survey of the literature in all languages by a panel of scientists specially appointed for the task by the U.S.S.R. Academy of Sciences, Moscow, has made the compilation of this work possible. The complete English edition in five separately bound volumes w...
This volume presents a variety of articles that encompass the broad scope of supramolecular chemistry. Reusch's chapter covers biological channel compounds, while the work of Hall and Kirkovits looks into their synthetic counterparts. Metal ion sensors, calixarenes and "crystal engineering" are described by pioneers in these fields. This work, whilst current and authoritative, shows us that much remains to be undertaken and understood. It is hoped that this volume will be of interest to those who wish to fill these gaps; scientists already in the field and those who may see extensions of their own work that will bring them into it.
The goal of the series Physics and Chemistry of Materials with Layered Structures is to give a critical survey of our present knowledge on a large family of materials which can be described as solids containing molecules which in two dimensions extend to infinity and which are loosely stacked on top of each other to form three dimensional crystals. Of course, the physics and chemistry of these crystals are specific chapters in ordinary solid state science, and many a scientist hunting for new phenomena has in the past been disappointed to find that materials with layered structures are not entirely exotic. Their electron and phonon states are not two dimensional, and the high hopes held by some for spectacular dimensionality effects in superconductivity were shattered. Nevertheless, the structural features and their physical and chemical consequences singularize layered structures sufficiently to make them a fascinating subject of research. This is all the more true since they are met in insulators and semiconductors as well as in normal and superconducting metals. Although for the time being the series is intentionally limited to cover inorganic materials only, the many known organic layered structures may well be the subject of future volumes. Among the noteworthy peculiarities of layered structures, we mention specific growth mechanisms and crystal habits. Polytypism is very common and it is fasci nating indeed to find up to 240 different polytypes in the same chemical substance.