Download or read book Molecular dynamics Investigation of Pure Metals and Metal Alloys written by Mustafa Uludoǧan and published by . This book was released on 2003 with total page 122 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular Dynamics Study of Random and Ordered Metals and Metal Alloys written by and published by . This book was released on 2004 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The solid, liquid, and solidification properties of Pd, Ag pure metals and especially PdxAg1-x alloys are studied by using the molecular dynamics simulation. The effects of temperature and concentration on the physical properties of Pdx$Ag1-x are analyzed. Sutton-Chen (SC) and Quantum Sutton-Chen (Q-SC) many-body potentials are used as interatomic interactions which enable one to investigate the thermodynamic, static, and dynamical properties of transition metals. The simulation results such as cohesive energy, density, elastic constants, bulk modulus, pair distribution functions, melting points and phonon dispersion curves obtained for Pd, Ag and PdxAg1-x are in good agreement with the available experimental data at various temperatures. The predicted melting points of Pd, Ag and their binary alloys by using Q-SC potential parameters are closer to experimental values than the ones predicted from SC potential parameters. The liquid properties such as diffusion constants and viscosities computed from Q-SC potentials are also in good agreement with the available experimental data and theoretical calculations. Diffusion coefficients and viscosity results calculated from simulation obey the Arrhenius equation well. The coefficients of the Arrhenius equation are given in order to calculate the self-diffusion coefficient and shear viscosity of Pd-Ag alloys at the desired temperature and concentration. Using different cooling rates, we investigate glass formation tendency and crystallization of Pd-Ag metal alloys, by analyzing pair distribution function, enthalpy, volume, and diffusion coefficient. Pd-Ag alloys show the glass structure at fast cooling rates while it crystallizes at slow cooling rates. Glass and crystallization temperatures are also obtained from the Wendt-Abraham parameter. The split of the second peak in the pair distribution function is associated with the glass transition. Glass forming ability increases with increasing concentration of Ag in Pd-Ag allo.
Download or read book MOLECULAR DYNAMICS INVESTIGATION OF THE DYNAMIC PROPERTIES OF Pd AND Al METALS AND THEIR ALLOYS written by and published by . This book was released on 2002 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The dynamic properties of Palladium (Pd) and Aluminum (Al) metals and their alloys are investigated by means of Molecular Dynamics using the Quantum Sutton-Chen force field in five different concentrations. Calculations have been carried out for liquid structures. Although this study is done for liquid structures, basic solid state properties are also investigated to prove the validity of potential parameters. Results are compared with each other and with experimental, theoretical and simulated results. Liquid state transferability of Quantum Sutton-Chen parameters have been investigated and discussed. High temperature properties, which are not easy to work experimentally, are simulated and high temperature behavior of Pd-Al alloy is investigated.
Download or read book MOLDY6 written by M. W. Finnis and published by . This book was released on 1988 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Trends in Plasticity of Metals and Alloys written by Mikha]ıl A Lebyodkin and published by . This book was released on 2021-10-21 with total page 210 pages. Available in PDF, EPUB and Kindle. Book excerpt: The last few decades have seen considerable progress in the development of high-performance metals and alloys that have microstructures and plastic behaviors with a high level of complexity. Ultrafine-grain materials, metallic glasses, gradient microstructures, etc., have clearly been gaining the attention of researchers and are gaining a place in the industry. Concurrently, the self-organized nature of plastic deformation, leading to complex behaviors on mesoscopic scales even in pure metals with highly symmetric lattices, has been generally recognized. Such progress has demanded the development of sophisticated experimental techniques (in situ TEM, digital image correlation, nano-indentation, etc.), advanced multiscale modeling (molecular dynamics, discrete dislocation dynamics, strain gradient models, etc.), and methods of analysis of the observed and simulated behaviors from the viewpoint of self-organization, with an aim of filling gaps between the elementary atomic-scale mechanisms and the scale of a laboratory sample. The current research has evolved in two main areas. First, new approaches to old questions and traditional model materials allow for a deeper understanding of physical mechanisms. Second, a better understanding of the process-microstructure-property links provides a basis for the elaboration of new materials and processing routes, as well as for the creation of powerful computer models that are able to predict the behavior of complex materials. This Special Issue aims at presenting examples of such recent progress and trends in the plasticity of metals and alloys.
Download or read book Molecular Dynamics written by Lichang Wang and published by BoD – Books on Demand. This book was released on 2012-04-05 with total page 440 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Dynamics is a two-volume compendium of the ever-growing applications of molecular dynamics simulations to solve a wider range of scientific and engineering challenges. The contents illustrate the rapid progress on molecular dynamics simulations in many fields of science and technology, such as nanotechnology, energy research, and biology, due to the advances of new dynamics theories and the extraordinary power of today's computers. This first book begins with a general description of underlying theories of molecular dynamics simulations and provides extensive coverage of molecular dynamics simulations in nanotechnology and energy. Coverage of this book includes: Recent advances of molecular dynamics theory Formation and evolution of nanoparticles of up to 106 atoms Diffusion and dissociation of gas and liquid molecules on silicon, metal, or metal organic frameworks Conductivity of ionic species in solid oxides Ion solvation in liquid mixtures Nuclear structures
Download or read book Energy Research Abstracts written by and published by . This book was released on 1995 with total page 782 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular Dynamics and Simulations Studies of Metal Surfaces written by Akie M. Raphuthi and published by . This book was released on 1994 with total page 146 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular Dynamics MD Studies on Phase Transformation and Deformation Behaviors in FCC Metals and Alloys written by Yue Qi and published by . This book was released on 2001 with total page 316 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book ERDA Energy Research Abstracts written by and published by . This book was released on 1989 with total page 848 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Metal and Alloy Bonding An Experimental Analysis written by R. Saravanan and published by Springer Science & Business Media. This book was released on 2011-09-20 with total page 165 pages. Available in PDF, EPUB and Kindle. Book excerpt: Charge density analysis of materials provides a firm basis for the evaluation of the properties of materials. The design and engineering of a new combination of metals requires a firm knowledge of intermolecular features. Recent advances in technology and high-speed computation have made the crystal X-ray diffraction technique a unique tool for the determination of charge density distribution in molecular crystal. Methods have been developed to make experimental probes capable of unraveling the features of charge densities in the intra- and inter-molecular regions of crystal structures. In Metal and Alloy Bonding - An Experimental Analysis, the structural details of materials are elucidated with the X-ray diffraction technique. Analyses of the charge density and the local and average structure are given to reveal the structural properties of technologically important materials. Readers will gain a new understanding of the local and average structure of existing materials. The electron density, bonding, and charge transfer studies in Metal and Alloy Bonding - An Experimental Analysis contain useful information for researchers in the fields of physics, chemistry, materials science, and metallurgy. The properties described in these studies can contribute to the successful engineering of these technologically important materials.
Download or read book Metallic Glasses and Their Oxidation written by Xinyun Wang and published by Elsevier. This book was released on 2022-11-03 with total page 290 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metallic Glasses and Their Oxidation provides a comprehensive review of the structures, properties, preparations, processing and applications of metallic glasses. Special attention is paid to the oxidation behaviors and related mechanisms of metallic glasses that occur during their preparation, processing and application. The book's authors introduce basic knowledge of metallic glasses, including their structures, properties, processing techniques and applications. Then, the theories and techniques commonly used in oxidation investigation are highlighted, including thermal oxidation, native oxidation, stressed oxidation, powder oxidation and oxidation simulation. The book closes with the influence of oxidation on the structures and performances of metallic glasses, proposes measures to control oxidation, and discusses how to take advantage of oxidation to reinforce materials or create new materials. Introduces the latest knowledge on the structures, properties, preparation, processing and application of metallic glasses Reviews the fundamental concepts surrounding metal oxidation, including techniques, devices and methods frequently used in oxidation research Discusses measures to control oxidation and the possibilities of using oxidation to reinforce metallic glasses or create new types of materials
Download or read book Metals Abstracts written by and published by . This book was released on 1998 with total page 1042 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book U S Government Research Reports written by and published by . This book was released on 1963 with total page 144 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computational Thermo Fluid Dynamics written by Petr A. Nikrityuk and published by John Wiley & Sons. This book was released on 2011-09-19 with total page 353 pages. Available in PDF, EPUB and Kindle. Book excerpt: Combining previously unconnected computational methods, this monograph discusses the latest basic schemes and algorithms for the solution of fluid, heat and mass transfer problems coupled with electrodynamics. It presents the necessary mathematical background of computational thermo-fluid dynamics, the numerical implementation and the application to real-world problems. Particular emphasis is placed throughout on the use of electromagnetic fields to control the heat, mass and fluid flows in melts and on phase change phenomena during the solidification of pure materials and binary alloys. However, the book provides much more than formalisms and algorithms; it also stresses the importance of good, feasible and workable models to understand complex systems, and develops these in detail. Bringing computational fluid dynamics, thermodynamics and electrodynamics together, this is a useful source for materials scientists, PhD students, solid state physicists, process engineers and mechanical engineers, as well as lecturers in mechanical engineering.
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 Technical Abstract Bulletin written by Defense Documentation Center (U.S.) and published by . This book was released on 1964 with total page 1148 pages. Available in PDF, EPUB and Kindle. Book excerpt:
