Download or read book Molecular Dynamics Study of Ionic Grain Boundaries written by Long-Qing Chen and published by . This book was released on 1990 with total page 488 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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.
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1994 with total page 772 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular Dynamics Simulation of Grain Boundary Motion written by and published by . This book was released on 2015 with total page 24 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular Dynamics Study of Texture Control Under Ion Beam Assisted Deposition written by Liang Dong and published by . This book was released on 2000 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book A Molecular Dynamics Study of the Sigma 11 1 bar 1 0 113 133 Grain Boundary in Al and Al Cu written by and published by . This book was released on 1996 with total page 15 pages. Available in PDF, EPUB and Kindle. Book excerpt: We present results of molecular dynamics simulation studies of Cu segregation to the [Sigma]11{l_angle}1{bar 1}0{r_angle}/(113)(113) grain boundary (GB) in Al. Simulations were performed with EAM potentials for Al and Al-Cu. Results predict that Cu atoms tend to order along either side of the interface even in the pure symmetrical tilt boundary, forming alternating chains along the {l_angle}{bar 3}{bar 3}2{r_angle} direction. Nucleation of the chains is driven by a change in the local atomic level stress induced by the pre-existing Cu atoms at the GB.
Download or read book Dynamics of Glassy Crystalline and Liquid Ionic Conductors written by Junko Habasaki and published by Springer. This book was released on 2016-10-19 with total page 614 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book discusses the physics of the dynamics of ions in various ionically conducting materials, and applications including electrical energy generation and storage. The experimental techniques for measurements and characterization, molecular dynamics simulations, the theories of ion dynamics, and applications are all addressed by the authors, who are experts in their fields. The experimental techniques of measurement and characterization of dynamics of ions in glassy, crystalline, and liquid ionic conductors are introduced with the dual purpose of introducing the reader to the experimental activities of the field, and preparing the reader to understand the physical quantities derived from experiments. These experimental techniques include calorimetry, conductivity relaxation, nuclear magnetic resonance, light scattering, neutron scattering, and others. Methods of molecular dynamics simulations are introduced to teach the reader to utilize the technique for practical applications to specific problems. The results elucidate the dynamics of ions on some issues that are not accessible by experiments. The properties of ion dynamics in glassy, crystalline and liquid ionic conductors brought forth by experiments and simulations are shown to be universal, i.e. independent of physical and chemical structure of the ionic conductor as long as ion-ion interaction is the dominant factor. Moreover these universal properties of ion dynamics are shown to be isomorphic to other complex interacting systems including the large class of glass-forming materials with or without ionic conductivity.By covering the basic concepts, theories/models, experimental techniques and data, molecular dynamics simulations, and relating them together, Dynamics of Glassy, Crystalline and Liquid Ionic Conductors will be of great interest to many in basic and applied research areas from the broad and diverse communities of condensed matter physicists, chemists, materials scientists and engineers. The book also provides the fundamentals for an introduction to the field and it is written in such a way that can be used for teaching courses either at the undergraduate or graduate level in academic institutions.
Download or read book Computer Molecular Dynamics Studies of Grain Boundary Structures I Observations of Coupled Sliding and Migration in a Three Dimensional Simulation written by George H Bishop (Jr) and published by . This book was released on 1981 with total page 14 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Field Assisted Sintering written by Eugene A. Olevsky and published by Springer. This book was released on 2018-08-09 with total page 432 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book represents the first ever scientific monograph including an in-depth analysis of all major field-assisted sintering techniques. Until now, the electromagnetic field-assisted technologies of materials processing were lacking a systematic and generalized description in one fundamental publication; this work promotes the development of generalized concepts and of comparative analyses in this emerging area of materials fabrication. This book describes modern technologies for the powder processing-based fabrication of advanced materials. New approaches for the development of well-tailored and stable structures are thoroughly discussed. Since the potential of traditional thermo-mechanical methods of material treatment is limited due to inadequate control during processing, the book addresses ways to more accurately control the resultant material's structure and properties by an assisting application of electro-magnetic fields. The book describes resistance sintering, high-voltage consolidation, sintering by low-voltage electric pulses (including spark plasma sintering), flash sintering, microwave sintering, induction heating sintering, magnetic pulse compaction and other field-assisted sintering techniques. Includes an in-depth analysis of all major field-assisted sintering techniques; Explains new techniques and approaches for material treatment; Provides detailed descriptions of spark plasma sintering, microwave sintering, high-voltage consolidation, magnetic pulse compaction, and various other approaches when field-assisted treatment is applied.
Download or read book Grain Boundary Segregation in Metals written by Pavel Lejcek and published by Springer Science & Business Media. This book was released on 2010-07-20 with total page 249 pages. Available in PDF, EPUB and Kindle. Book excerpt: Grain boundaries are important structural components of polycrystalline materials used in the vast majority of technical applications. Because grain boundaries form a continuous network throughout such materials, their properties may limit their practical use. One of the serious phenomena which evoke these limitations is the grain boundary segregation of impurities. It results in the loss of grain boundary cohesion and consequently, in brittle fracture of the materials. The current book deals with fundamentals of grain boundary segregation in metallic materials and its relationship to the grain boundary structure, classification and other materials properties.
Download or read book Interface Ionics written by Yasutoshi Iriyama and published by Springer Nature. This book was released on with total page 541 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Research in Progress written by and published by . This book was released on 1980 with total page 160 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computational Materials System Design written by Dongwon Shin and published by Springer. This book was released on 2017-11-10 with total page 239 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides state-of-the-art computational approaches for accelerating materials discovery, synthesis, and processing using thermodynamics and kinetics. The authors deliver an overview of current practical computational tools for materials design in the field. They describe ways to integrate thermodynamics and kinetics and how the two can supplement each other.
Download or read book Annual Review of Nano Research written by Guozhong Cao and published by World Scientific. This book was released on 2008 with total page 674 pages. Available in PDF, EPUB and Kindle. Book excerpt: The second volume of the Annual Review of Nano Research focuses mainly on nanofabrication, nanomaterials and nanostructures, and energy application of nanomaterials. All of the review chapters are contributed by well-published scientists and bring the most recent advancements in selected topics to the readers. This review volume will perfectly serve dual purposes: either as an excellent introduction to scientists whose expertise lies in different fields but who are interested in learning about nanotechnology, or as a quick reference for experts active in the field of nanotechnology and nanoscience.
Download or read book 2D and 3D Grain Growth Modeling and Simulation written by Luis Antonio Barrales-Mora and published by Cuvillier Verlag. This book was released on 2008 with total page 147 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Annual Review Of Nano Research Volume 2 written by Guozhong Cao and published by World Scientific. This book was released on 2008-03-19 with total page 674 pages. Available in PDF, EPUB and Kindle. Book excerpt: The second volume of the Annual Review of Nano Research focuses mainly on nanofabrication, nanomaterials and nanostructures, and energy application of nanomaterials. All of the review chapters are contributed by well-published scientists and bring the most recent advancements in selected topics to the readers. This review volume will perfectly serve dual purposes: either as an excellent introduction to scientists whose expertise lies in different fields but who are interested in learning about nanotechnology, or as a quick reference for experts active in the field of nanotechnology and nanoscience.
Download or read book Molecular Dynamics Simulations of Grain Boundary and Bulk Diffusion in Metals written by Steven James Plimpton and published by . This book was released on 1989 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt:
