Download or read book Thermodynamic Modeling of the Pd S System Supported by First principles Calculations written by and published by . This book was released on 2010 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Phase Stability for the Pd Si System First Principles Experiments and Solution Based Modeling written by and published by . This book was released on 2015 with total page 15 pages. Available in PDF, EPUB and Kindle. Book excerpt: Relative stabilities of the compounds in the binary Pd-Si system were assessed using first-principles calculations and experimental methods. Calculations of lattice parameters and enthalpy of formation indicate that Pd5Si-[mu], Pd9Si2-[alpha], Pd3 Si-[beta], Pd2 Si-[gamma], and PdSi-[delta] are the stable phases at 0 K ( -273 °C). X-ray diffraction analyses (XRD) and electron probe microanalysis (EPMA) of the as-solidified and heat-treated samples support the computational findings, except that the PdSi-[delta] phase was not observed at low temperature. Considering both experimental data and first-principles results, the compounds Pd 5 Si-[mu], Pd9 Si2-[alpha], Pd3Si-[beta], and Pd2Si-[gamma] are treated as stable phases down to 0 K ( -273 °C), while the PdSi-[delta] is treated as being stable over a limited range, exhibiting a lower bound. Using these findings, a comprehensive solution-based thermodynamic model is formulated for the Pd-Si system, permitting phase diagram calculation. Moreover, the liquid phase is described using a three-species association model and other phases are treated as solid solutions, where a random substitutional model is adopted for Pd-fcc and Si-dia, and a two-sublattice model is employed for Pd5Si-[mu], Pd9Si2-[alpha], Pd3Si-[beta], Pd2Si-[gamma], and PdSi-[delta]. Model parameters are fitted using available experimental data and first-principles data, and the resulting phase diagram is reported over the full range of compositions.
Download or read book Desk Handbook written by Hiroaki Okamoto and published by . This book was released on 2010-01-01 with total page 855 pages. Available in PDF, EPUB and Kindle. Book excerpt: Desk Handbook: Phase Diagrams for Binary Alloys, Second Edition is the perfect book for those who want just binary phase diagrams and crystal data. Nearly 2,500 binary alloy phase diagrams (one "best" diagram selected per system) and associated crystal structure data. Includes an "Introduction to Alloy Phase Diagrams" and an explanation of "Impossible and Improbable Forms of Binary Phase Diagrams." *Updates the First Edition by 10 years * Presents diagrams in consistent size * Shows the principal axis in atomic %, with a secondary axis in weight % * Includes an introductory article on phase diagrams and their use * Gives references to the original literature source
Download or read book Computational Thermodynamics of Materials written by Zi-Kui Liu and published by Cambridge University Press. This book was released on 2016-06-30 with total page 261 pages. Available in PDF, EPUB and Kindle. Book excerpt: Integrates fundamental concepts with experimental data and practical applications, including worked examples and end-of-chapter problems.
Download or read book Vision and Voyages for Planetary Science in the Decade 2013 2022 written by National Research Council and published by National Academies Press. This book was released on 2012-01-30 with total page 399 pages. Available in PDF, EPUB and Kindle. Book excerpt: In recent years, planetary science has seen a tremendous growth in new knowledge. Deposits of water ice exist at the Moon's poles. Discoveries on the surface of Mars point to an early warm wet climate, and perhaps conditions under which life could have emerged. Liquid methane rain falls on Saturn's moon Titan, creating rivers, lakes, and geologic landscapes with uncanny resemblances to Earth's. Vision and Voyages for Planetary Science in the Decade 2013-2022 surveys the current state of knowledge of the solar system and recommends a suite of planetary science flagship missions for the decade 2013-2022 that could provide a steady stream of important new discoveries about the solar system. Research priorities defined in the report were selected through a rigorous review that included input from five expert panels. NASA's highest priority large mission should be the Mars Astrobiology Explorer Cacher (MAX-C), a mission to Mars that could help determine whether the planet ever supported life and could also help answer questions about its geologic and climatic history. Other projects should include a mission to Jupiter's icy moon Europa and its subsurface ocean, and the Uranus Orbiter and Probe mission to investigate that planet's interior structure, atmosphere, and composition. For medium-size missions, Vision and Voyages for Planetary Science in the Decade 2013-2022 recommends that NASA select two new missions to be included in its New Frontiers program, which explores the solar system with frequent, mid-size spacecraft missions. If NASA cannot stay within budget for any of these proposed flagship projects, it should focus on smaller, less expensive missions first. Vision and Voyages for Planetary Science in the Decade 2013-2022 suggests that the National Science Foundation expand its funding for existing laboratories and establish new facilities as needed. It also recommends that the program enlist the participation of international partners. This report is a vital resource for government agencies supporting space science, the planetary science community, and the public.
Download or read book Processing and Properties of Advanced Ceramics and Composites V written by Narottam P. Bansal and published by John Wiley & Sons. This book was released on 2013-07-01 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: Contains contributed 38 papers from the following seven symposia held during the 2012 Materials Science and Technology (MS&T’12) meeting: Innovative Processing and Synthesis of Ceramics, Glasses and Composites Advances in Ceramic Matrix Composites Solution Based Processing for Ceramic Materials Novel Sintering Processes and News in the Conventional Sintering and Grain Growth Nanotechnology for Energy, Healthcare and Industry Dielectric Ceramic Materials and Electronic Devices Controlled Synthesis, Processing, and Applications of Structure and Functional Nanomaterials
Download or read book Pd based Membranes written by Thijs Peters and published by MDPI. This book was released on 2019-03-26 with total page 190 pages. Available in PDF, EPUB and Kindle. Book excerpt: Palladium (Pd)-based membranes have received a great deal of attention from both academia and industry thanks to their ability to selectively separate hydrogen from gas streams. The integration of such membranes with appropriate catalysts in membrane reactors allows for hydrogen production with CO2 capture that can be applied in smaller bioenergy or combined heat and power (CHP) plants, as well as in large-scale power plants. Pd-based membranes are therefore regarded as a Key Enabling Technology (KET) to facilitate the transition towards a knowledge-based, low-carbon, and resource-efficient economy. This Special Issue of the journal Membranes on “Pd-based Membranes: Overview and Perspectives” contains nine peer-reviewed articles. Topics include manufacturing techniques, understanding of material phenomena, module and reactor design, novel applications, and demonstration efforts and industrial exploitation.
Download or read book Molecular Modeling of Corrosion Processes written by Christopher D. Taylor and published by John Wiley & Sons. This book was released on 2015-04-27 with total page 276 pages. Available in PDF, EPUB and Kindle. Book excerpt: Presents opportunities for making significant improvements in preventing harmful effects that can be caused by corrosion Describes concepts of molecular modeling in the context of materials corrosion Includes recent examples of applications of molecular modeling to corrosion phenomena throughout the text Details how molecular modeling can give insights into the multitude of interconnected and complex processes that comprise the corrosion of metals Covered applications include diffusion and electron transfer at metal/electrolyte interfaces, Monte Carlo simulations of corrosion, corrosion inhibition, interrogating surface chemistry, and properties of passive films Presents current challenges and likely developments in this field for the future
Download or read book Structure and Properties of Nanoalloys written by Riccardo Ferrando and published by Elsevier. This book was released on 2016-09-03 with total page 352 pages. Available in PDF, EPUB and Kindle. Book excerpt: Structure and Properties of Nanoalloys is devoted to the topic of alloy nanoparticles, the bi-or multicomponent metallic nanoparticles that are often called nanoalloys. The interest in nanoalloys stems from the wide spectrum of their possible applications in the fields of catalysis, magnetism, and optics. Nanoalloys are also interesting from a basic science point-of-view due to the complexity of their structures and properties. Nanoalloys are presently a very lively research area, with impressive developments in the last ten years. This book meets the need to systematize the wealth of experimental and computational results generated over the last decade. Provides a well-organized, coherent overall structure, with a tutorial style format ideal for teaching and self-study In-depth and fluent descriptions by a single leading academic Presents a wealth of experimental and computational results generated over the last decade
Download or read book Handbook of Nanophysics written by Klaus D. Sattler and published by CRC Press. This book was released on 2010-09-17 with total page 912 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of nanoscience was pioneered in the 1980s with the groundbreaking research on clusters, which later led to the discovery of fullerenes. Handbook of Nanophysics: Clusters and Fullerenes focuses on the fundamental physics of these nanoscale materials and structures. Each peer-reviewed chapter contains a broad-based introduction and enhances
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1992 with total page 1572 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Zentropy written by Zi-Kui Liu and published by CRC Press. This book was released on 2024-08-23 with total page 755 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book compiles selected publications authored or co-authored by the editor to present a comprehensive understanding of following topics: (1) fundamentals of thermodynamics, Materials Genome®, and zentropy theory; (2) zentropy theory for prediction of positive and negative thermal expansions. It is noted that while entropy at one scale is well represented by standard statistical mechanics in terms of probability of individual configurations at that scale, the theory capable of counting total entropy of a system from different scales is lacking. The zentropy theory provides a nested form for configurational entropy enabling multiscale modeling to account for disorder and fluctuations from the electronic scale based on quantum mechanics to the experimental scale based on statistical mechanics using free energies of individual configurations rather than their total energies in standard statistical mechanics. The predictions from the zentropy theory demonstrate remarkable agreements with experimental observations for magnetic transitions and associated emergent behaviors of strongly correlated metals and oxides, including singularity and instability at critical points and positive and negative thermal expansions, without the need of additional truncated models and fitting model parameters beyond density function theory. This paves the way to provide the predicted phase equilibrium data for high throughput predictive CALPHAD modeling of complex material systems, and those individual configurations may thus be considered as the genomic building blocks of individual phases in the spirit of Materials Genome®.
Download or read book Springer Handbook of Metrology and Testing written by Horst Czichos and published by Springer Science & Business Media. This book was released on 2011-07-22 with total page 1244 pages. Available in PDF, EPUB and Kindle. Book excerpt: This Springer Handbook of Metrology and Testing presents the principles of Metrology – the science of measurement – and the methods and techniques of Testing – determining the characteristics of a given product – as they apply to chemical and microstructural analysis, and to the measurement and testing of materials properties and performance, including modelling and simulation. The principal motivation for this Handbook stems from the increasing demands of technology for measurement results that can be used globally. Measurements within a local laboratory or manufacturing facility must be able to be reproduced accurately anywhere in the world. The book integrates knowledge from basic sciences and engineering disciplines, compiled by experts from internationally known metrology and testing institutions, and academe, as well as from industry, and conformity-assessment and accreditation bodies. The Commission of the European Union has expressed this as there is no science without measurements, no quality without testing, and no global markets without standards.
Download or read book Ordered and Disordered Cubic Systems Pyrochlore to Fluorite Now and the Horizon written by Gordon James Thorogood and published by Frontiers Media SA. This book was released on 2022-02-18 with total page 170 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Magnesium and Its Alloys written by Leszek A. Dobrzanski and published by CRC Press. This book was released on 2019-08-01 with total page 570 pages. Available in PDF, EPUB and Kindle. Book excerpt: Magnesium and Its Alloys: Technology and Applications covers a wide scope of topics related to magnesium science and engineering, from manufacturing and production to finishing and applications. This handbook contains thirteen chapters, each contributed by experts in their respective fields, and presents a broad spectrum of new information on pure magnesium, magnesium alloys, and magnesium matrix MgMCs composites. It covers such topics as computational thermodynamics, modern Mg-alloys with enhanced creep or fatigue properties, cutting-edge approaches to melt treating (grain refinement, micro-alloying, and the resulting solidification and growth), coatings, surface engineering, environmental protection (recycling and green energy storage and production), as well as biomedical applications. Aimed at researchers, professionals, and graduate students, the book conveys comprehensive and cutting-edge knowledge on magnesium alloys. It is especially useful to those in the fields of materials engineering, mechanical engineering, manufacturing engineering, and metallurgy.
Download or read book Integrated Computational Materials Engineering ICME for Metals written by Mark F. Horstemeyer and published by John Wiley & Sons. This book was released on 2018-02-23 with total page 716 pages. Available in PDF, EPUB and Kindle. Book excerpt: Focuses entirely on demystifying the field and subject of ICME and provides step-by-step guidance on its industrial application via case studies This highly-anticipated follow-up to Mark F. Horstemeyer’s pedagogical book on Integrated Computational Materials Engineering (ICME) concepts includes engineering practice case studies related to the analysis, design, and use of structural metal alloys. A welcome supplement to the first book—which includes the theory and methods required for teaching the subject in the classroom—Integrated Computational Materials Engineering (ICME) For Metals: Concepts and Case Studies focuses on engineering applications that have occurred in industries demonstrating the ICME methodologies, and aims to catalyze industrial diffusion of ICME technologies throughout the world. The recent confluence of smaller desktop computers with enhanced computing power coupled with the emergence of physically-based material models has created the clear trend for modeling and simulation in product design, which helped create a need to integrate more knowledge into materials processing and product performance. Integrated Computational Materials Engineering (ICME) For Metals: Case Studies educates those seeking that knowledge with chapters covering: Body Centered Cubic Materials; Designing An Interatomic Potential For Fe-C Alloys; Phase-Field Crystal Modeling; Simulating Dislocation Plasticity in BCC Metals by Integrating Fundamental Concepts with Macroscale Models; Steel Powder Metal Modeling; Hexagonal Close Packed Materials; Multiscale Modeling of Pure Nickel; Predicting Constitutive Equations for Materials Design; and more. Presents case studies that connect modeling and simulation for different materials' processing methods for metal alloys Demonstrates several practical engineering problems to encourage industry to employ ICME ideas Introduces a new simulation-based design paradigm Provides web access to microstructure-sensitive models and experimental database Integrated Computational Materials Engineering (ICME) For Metals: Case Studies is a must-have book for researchers and industry professionals aiming to comprehend and employ ICME in the design and development of new materials.
Download or read book Phase Equilibria Phase Diagrams and Phase Transformations written by Mats Hillert and published by Cambridge University Press. This book was released on 2007-11-22 with total page 525 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational tools allow material scientists to model and analyze increasingly complicated systems to appreciate material behavior. Accurate use and interpretation however, requires a strong understanding of the thermodynamic principles that underpin phase equilibrium, transformation and state. This fully revised and updated edition covers the fundamentals of thermodynamics, with a view to modern computer applications. The theoretical basis of chemical equilibria and chemical changes is covered with an emphasis on the properties of phase diagrams. Starting with the basic principles, discussion moves to systems involving multiple phases. New chapters cover irreversible thermodynamics, extremum principles, and the thermodynamics of surfaces and interfaces. Theoretical descriptions of equilibrium conditions, the state of systems at equilibrium and the changes as equilibrium is reached, are all demonstrated graphically. With illustrative examples - many computer calculated - and worked examples, this textbook is an valuable resource for advanced undergraduates and graduate students in materials science and engineering.
