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Molecular Dynamics Computer Simulations Of Surface And Interface Phenomena In Vitreous Silica And Faceted Grain Boundaries Of Alpha Alumina Containing Intergranular Films
Download Molecular Dynamics Computer Simulations Of Surface And Interface Phenomena In Vitreous Silica And Faceted Grain Boundaries Of Alpha Alumina Containing Intergranular Films full books in PDF, epub, and Kindle. Read online Molecular Dynamics Computer Simulations Of Surface And Interface Phenomena In Vitreous Silica And Faceted Grain Boundaries Of Alpha Alumina Containing Intergranular Films ebook anywhere anytime directly on your device. Fast Download speed and no annoying ads. We cannot guarantee that every ebooks is available!
Book Synopsis Molecular Dynamics Computer Simulations of Surface and Interface Phenomena in Vitreous Silica and Faceted Grain Boundaries of Alpha-alumina Containing Intergranular Films by : David A. Litton
Download or read book Molecular Dynamics Computer Simulations of Surface and Interface Phenomena in Vitreous Silica and Faceted Grain Boundaries of Alpha-alumina Containing Intergranular Films written by David A. Litton and published by . This book was released on 1998 with total page 260 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Dissertation Abstracts International by :
Download or read book Dissertation Abstracts International written by and published by . This book was released on 1999 with total page 572 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis American Doctoral Dissertations by :
Download or read book American Doctoral Dissertations written by and published by . This book was released on 1998 with total page 784 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Molecular Dynamic Simulations of the Intergranular Films Between Alumina and Silicon Nitride Crystal Grains by : Shenghong Zhang
Download or read book Molecular Dynamic Simulations of the Intergranular Films Between Alumina and Silicon Nitride Crystal Grains written by Shenghong Zhang and published by . This book was released on 2007 with total page 130 pages. Available in PDF, EPUB and Kindle. Book excerpt: The intergranular films (IGFs) between the ceramics grains have very important effects on the structure and mechanical properties on the whole ceramics and have been studied for many decades. In the thesis, molecular dynamic (MD) computer simulations were applied to study the IGFs between the alumina and silicon nitride ceramic grains. Preferential adsorption of specific ions from the IGFs to the contacting surfaces of the alumina crystals was observed in the study of calcium-alumino-silicate glassy (CAS) IGFs formed between the combined basal and prism orientations of [alpha]-Al2O3 crystals. This segregation of specific ions to the interface enables formation of localized, ordered structures between the IGF and the crystals. However, the segregation behavior of the ions is anisotropic, depending on the orientation of the [alpha]-Al2O3 crystals. Self-diffusion of calcium ions between these CAS IGFs was also carried out by MD simulations. The results show that the diffusion coefficients adjacent to the interfaces are smaller and the activation energies are much higher than those in the interior of the IGF and in bulk glasses. It was also suggested that Ca transport is mainly though the interior of the IGF and implies that diffusion would be significantly inhibited by sufficiently thin IGFs. The growth of the alumina ceramic grains was simulated in the contacting with IGFs containing high concentrations of aluminum ions. Five different compositions in the IGFs were studied. Results show preferential growth along the [1120] of the (1120) surface in comparison to growth along the [0001] direction on the (0001) surface for compositions near a Ca/Al ratio of 0.5. The simulations also show the mechanism by which Ca ions in the IGF inhibit growth on the basal surface. The simulations provide an atomistic view of attachment onto crystal surfaces, affecting grain growth in alumina. The dissolution of the alumina crystal grains in the silicate melts is another important issue in the application of alumina ceramics. The simulations results showed that alumina grains dissolved into the melts homogeneously at very high temperatures. The orientation of the crystals and the compositions of the melts only take effect at some intermediate temperatures, to make the alumina grains dissolution anisotropic. The fracture phenomena of the pure silica IGFs between the basal silicon nitride crystals were studied by applying the constant tensile strain on the simulated IGF system, as well as for the bulk silica glass for the comparison. The data indicated that the fracture was happened in the interior of the IGFs and the thickness of the IGFs has important effect on the fracture stress/strain relationships.
Book Synopsis Molecular Dynamics (MD) Computer Simulations of Chemical Mechanical Polishing (CMP) Phenomena by : Chien-Hsien Sam Lee
Download or read book Molecular Dynamics (MD) Computer Simulations of Chemical Mechanical Polishing (CMP) Phenomena written by Chien-Hsien Sam Lee and published by . This book was released on 2006 with total page 242 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Interfacial Phenomena by : Clarence A. Miller
Download or read book Interfacial Phenomena written by Clarence A. Miller and published by CRC Press. This book was released on 2007-10-08 with total page 524 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since the publication of the first edition of Interfacial Phenomena, the interest in interfaces and surfactants has multiplied, along with their applications. Experimental and theoretical advances have provided scientists with greater insight into the structure, properties, and behavior of surfactant and colloid systems. Emphasizing equil
Book Synopsis Interfacial Phenomena by : J.T. Davies
Download or read book Interfacial Phenomena written by J.T. Davies and published by Elsevier. This book was released on 2012-12-02 with total page 511 pages. Available in PDF, EPUB and Kindle. Book excerpt: Interfacial Phenomena explores the more primary properties of different liquid interfaces. This book is divided into eight chapters, where Chapter 1 establishes the basic concepts of the physics of surfaces, including the properties of matter in the surface layer. Chapters 2 and 3 further discuss the concepts of electrostatic and electrokinetic phenomena, respectively. Other areas discussed in the later chapters include adsorption at liquid interfaces; properties of monolayers; reactions at liquid interfaces; and mass transfer across interfaces. Chapter 8 discusses the more relevant aspects of disperse systems and adhesion as related to the interfacial properties discussed in the previous chapters. The text is a valuable source of information to students and researchers in the fields of chemistry, biology, and chemical engineering and can also be used for industrial and academic laboratories.
Book Synopsis Fluid Interfacial Phenomena by : Clive A. Croxton
Download or read book Fluid Interfacial Phenomena written by Clive A. Croxton and published by . This book was released on 1986-07-29 with total page 802 pages. Available in PDF, EPUB and Kindle. Book excerpt: Leading contributors describe state-of-the-art research in experimental and theoretical liquid interfacial phenomena. Areas covered include the intrinsic interface, dynamics at a liquid-vapour interface, structure and properties of the liquid-vapour interface of a simple metal, the electric double layer, light-scattering at the fluid interface, statistical mechanics of spherical surfaces, and properties of water layers adjacent to interfaces.
Book Synopsis Interface Thermodynamics with Applications to Atomistic Simulations by : Timofey Frolov
Download or read book Interface Thermodynamics with Applications to Atomistic Simulations written by Timofey Frolov and published by . This book was released on 2011 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Interfaces are ubiquitous in natural phenomena. While the description of interfaces in fluid systems is well developed, solid-fluid and solid-solid interfaces are not well understood. This deficiency is especially true for solid-solid interfaces, which play critical roles in materials engineering, solid-state physics and solid-state chemistry. In this thesis, the Gibbs theory of interfaces is generalized to describe phase boundaries under non-hydrostatic stress in multicomponent systems. We obtain equations that describe coherent solid-solid interfaces with shear stresses parallel to the boundary plane, incoherent solid-solid interfaces for certain constraint variations, solid-fluid interfaces, grain boundaries and surfaces. In the second part of the thesis, the developed theory is applied to study particular types of interfaces using atomistic simulations. We modeled solid surface, solid-liquid interface and grain boundaries. The simulations allowed to calculate values of key thermodynamic properties, clarify behavior of these properties with temperature, composition and stress and test the predictions of the theory. Surface surface free energy and surface stress in a single component system were computed as functions of temperature. The values of these two excess properties do not converge near the melting point despite the extensive surface premelting. Solid-liquid interface free energy was computed using the developed thermodynamic integration technique as a function of composition in CuAg binary alloy and as a function of biaxial strain in a single component Cu system. In the later case the equilibrium states between the non-hydrostatically stressed solid and liquid were accurately predicted using the derived Clausius-Clapeyron type equation. We show that for non-hydrostatic equilibrium interfaces stress is not unique and compute different interface stresses using our simulation data. We also studied effects of elastic deformation, temperature and chemical composition on properties of a symmetrical tilt grain boundary in Cu and CuAg alloy. Excess grain boundary free energy was computed as a function of lateral strain, normal stress and shear stress parallel to the boundary plane. We also employed the derived thermodynamic integration method to compute grain boundary free energy as a function of temperature and composition. Maxwell type relations predicted by the adsorption equation were tested and verified. We proposed a thermodynamic model of liquid nucleation on superheated grain boundaries based on the sharp-interface approximation with a disjoining potential. The model predicts the shape and size of the critical nucleus by using a variational approach. Contrary to the classical nucleation theory, the model predicts the existence of a critical temperature of superheating and offers a simple formula for its calculation. The model is tested against molecular dynamic simulations in which liquid nuclei at a superheated boundary were obtained by an adiabatic trapping procedure.
Book Synopsis UNDERSTANDING AQUEOUS SOLUTIONS AT ALPHA-ALUMINA SURFACES USING MOLECULAR DYNAMICS SIMULATIONS by : Ruiyu Wang
Download or read book UNDERSTANDING AQUEOUS SOLUTIONS AT ALPHA-ALUMINA SURFACES USING MOLECULAR DYNAMICS SIMULATIONS written by Ruiyu Wang and published by . This book was released on 2022 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Molecular Dynamics Study of Grain Boundary Structure and Properties at High Temperatures by : Saryu Jindal Fensin
Download or read book Molecular Dynamics Study of Grain Boundary Structure and Properties at High Temperatures written by Saryu Jindal Fensin and published by . This book was released on 2010 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: This thesis reports research involving the development and application of atomistic simulation methods to study the effects of high homologous temperatures on the structural, thermodynamic, kinetic and mechanical properties of grain boundaries in metals. In this work we study two different elemental systems, namely Ni and Cu, and consider a variety of grain boundary structures characterized by different misorientation angles, twist/tilt character and zero-temperature energies. A method to calculate the disjoining potential from molecular dynamics is developed and applied to grain boundaries in Ni. The disjoining potential characterizes the variation in grain-boundary free energy as a function of the width of a premelted interfacial layer. The MD method for the calculation of this property is applied to grain boundaries that display continuous premelting transitions, as well as a boundary characterized by a disordered atomic structure displaying a finite interfacial width at the melting temperature. We also develop analysis methods to characterize the change in the atomic structure of an asymmetric tilt grain boundary in elemental Cu as a function of temperature. This boundary is characterized by a potential-energy surface with multiple minima as a function of the relative translation of the grains parallel to the interface plane. The structure of this boundary is found to display both disordering and roughening with increasing temperature. The mobility was calculated at high homologous temperatures using a method based on the analysis of the random walk of the interface in equilibrium MD simulations. Finally, the temperature dependent response of this grain boundary to shear was investigated. The dynamical behavior of the boundary in response to an applied shear strain was observed to undergo qualitative changes as the temperature was increased above 700 K.A decrease in shear resistance of the grain boundaries as a function of temperature was characterized by a decrease in the critical shear stress, an upper bound for which was estimated to be roughly a factor of five lower at the melting temperature than at zero temperature.
Book Synopsis Ab Initio Molecular Dynamics Simulations of Surfaces and Interfaces by : Mark Van Schilfgaarde
Download or read book Ab Initio Molecular Dynamics Simulations of Surfaces and Interfaces written by Mark Van Schilfgaarde and published by . This book was released on 1991 with total page 48 pages. Available in PDF, EPUB and Kindle. Book excerpt: This work was to develop and apply density-functional methods to semiconductor surfaces and interfaces. The method of Linear Muffin Tin Orbitals (LMTO) was used to make a detailed study of the properties of the ideal metal/GaAs interface. This was the first systematic study of the properties of a Schottky barrier using a first-principles method, and these explicit calculations shed light on some of the many theories which have been advanced to explain its observed pinning behavior. This work was pursued further along two lines. First, some As antisite defects were incorporated in planes near the metal interface, to determine to what extent they alter the Schottky barrier pinning position. The early stages of Schottky barrier formation are also studied using the LMTO method. This work confirms the tight-binding picture that potential of the first layer of GaAs deepens as Al is deposited. We also predict the Al atom favors the Ga site over the As site; and that the reconstructed free GaAs surface partially (but not completely) dereconstructs as metal adatoms are deposited. We are hopeful that this approach will quantitatively predict donor and acceptor levels, and pinpoint the evolution of the interfacial dipole and the onset of metallization.
Book Synopsis Transmission Electron Microscopy by : C. Barry Carter
Download or read book Transmission Electron Microscopy written by C. Barry Carter and published by Springer. This book was released on 2016-08-24 with total page 543 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text is a companion volume to Transmission Electron Microscopy: A Textbook for Materials Science by Williams and Carter. The aim is to extend the discussion of certain topics that are either rapidly changing at this time or that would benefit from more detailed discussion than space allowed in the primary text. World-renowned researchers have contributed chapters in their area of expertise, and the editors have carefully prepared these chapters to provide a uniform tone and treatment for this exciting material. The book features an unparalleled collection of color figures showcasing the quality and variety of chemical data that can be obtained from today’s instruments, as well as key pitfalls to avoid. As with the previous TEM text, each chapter contains two sets of questions, one for self assessment and a second more suitable for homework assignments. Throughout the book, the style follows that of Williams & Carter even when the subject matter becomes challenging—the aim is always to make the topic understandable by first-year graduate students and others who are working in the field of Materials Science Topics covered include sources, in-situ experiments, electron diffraction, Digital Micrograph, waves and holography, focal-series reconstruction and direct methods, STEM and tomography, energy-filtered TEM (EFTEM) imaging, and spectrum imaging. The range and depth of material makes this companion volume essential reading for the budding microscopist and a key reference for practicing researchers using these and related techniques.
Book Synopsis Fractography of Glasses and Ceramics by : Van Derck Frechette
Download or read book Fractography of Glasses and Ceramics written by Van Derck Frechette and published by . This book was released on 1988 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Mechanical Properties of Ceramics by : John B. Wachtman
Download or read book Mechanical Properties of Ceramics written by John B. Wachtman and published by John Wiley & Sons. This book was released on 2009-08-13 with total page 496 pages. Available in PDF, EPUB and Kindle. Book excerpt: A Comprehensive and Self-Contained Treatment of the Theory and Practical Applications of Ceramic Materials When failure occurs in ceramic materials, it is often catastrophic, instantaneous, and total. Now in its Second Edition, this important book arms readers with a thorough and accurate understanding of the causes of these failures and how to design ceramics for failure avoidance. It systematically covers: Stress and strain Types of mechanical behavior Strength of defect-free solids Linear elastic fracture mechanics Measurements of elasticity, strength, and fracture toughness Subcritical crack propagation Toughening mechanisms in ceramics Effects of microstructure on toughness and strength Cyclic fatigue of ceramics Thermal stress and thermal shock in ceramics Fractography Dislocation and plastic deformation in ceramics Creep and superplasticity of ceramics Creep rupture at high temperatures and safe life design Hardness and wear And more While maintaining the first edition's reputation for being an indispensable professional resource, this new edition has been updated with sketches, explanations, figures, tables, summaries, and problem sets to make it more student-friendly as a textbook in undergraduate and graduate courses on the mechanical properties of ceramics.
Book Synopsis Sintering of Ceramics by : Arunachalam Lakshmanan
Download or read book Sintering of Ceramics written by Arunachalam Lakshmanan and published by BoD – Books on Demand. This book was released on 2012-03-02 with total page 628 pages. Available in PDF, EPUB and Kindle. Book excerpt: The chapters covered in this book include emerging new techniques on sintering. Major experts in this field contributed to this book and presented their research. Topics covered in this publication include Spark plasma sintering, Magnetic Pulsed compaction, Low Temperature Co-fired Ceramic technology for the preparation of 3-dimesinal circuits, Microwave sintering of thermistor ceramics, Synthesis of Bio-compatible ceramics, Sintering of Rare Earth Doped Bismuth Titanate Ceramics prepared by Soft Combustion, nanostructured ceramics, alternative solid-state reaction routes yielding densified bulk ceramics and nanopowders, Sintering of intermetallic superconductors such as MgB2, impurity doping in luminescence phosphors synthesized using soft techniques, etc. Other advanced sintering techniques such as radiation thermal sintering for the manufacture of thin film solid oxide fuel cells are also described.
Book Synopsis Materials Science of Carbides, Nitrides and Borides by : Yury G. Gogotsi
Download or read book Materials Science of Carbides, Nitrides and Borides written by Yury G. Gogotsi and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 371 pages. Available in PDF, EPUB and Kindle. Book excerpt: A survey of current research on a wide range of carbide, nitride and boride materials, covering the general issues relevant to the development and characterisation of a variety of advanced materials. Topics include structure and electronic properties, modeling, processing, high-temperature chemistry, oxidation and corrosion, mechanical behaviour, manufacturing and applications. The volume complements more specialised books on specific materials as well as more general texts on ceramics or hard materials, presenting a survey of materials research as a key to technological development. After decades of research, the materials are being used in electronics, wear resistant, refractory and other applications, but numerous new applications are possible. Roughly equal numbers of papers cover theoretical and experimental research in the general field of materials science of refractory materials. Audience: Researchers and graduate students in materials science and engineering.
