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 855 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) density functional theory and CALPHAD modeling; (2) computational tools; and (3) applications of computational thermodynamics. 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 Integrated Computational Materials Engineering ICME for Metals written by Mark F. Horstemeyer and published by John Wiley & Sons. This book was released on 2018-03-01 with total page 654 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 Metals Abstracts written by and published by . This book was released on 1994 with total page 1584 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book 13th International Conference on Aluminum Alloys ICAA 13 written by Hasso Weiland and published by Springer. This book was released on 2017-02-28 with total page 1857 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is a collection of papers presented at the 13th International Conference on Aluminum Alloys (ICAA-13), the premier global conference for exchanging emerging knowledge on the structure and properties of aluminum materials. The papers are organized around the topics of the science of aluminum alloy design for a range of market applications; the accurate prediction of material properties; novel aluminum products and processes; and emerging developments in recycling and applications using both monolithic and multi-material solutions.
Download or read book Ultra High Temperature Materials I written by Igor L. Shabalin and published by Springer. This book was released on 2014-05-16 with total page 800 pages. Available in PDF, EPUB and Kindle. Book excerpt: This exhaustive work in three volumes with featuring cross-reference system provides a thorough overview of ultra-high temperature materials – from elements and chemical compounds to alloys and composites. Topics included are physical (crystallographic, thermodynamic, thermo-physical, electrical, optical, physico-mechanical, nuclear) and chemical (solid-state diffusion, interaction with chemical elements and compounds, interaction with gases, vapours and aqueous solutions) properties of the individual physico-chemical phases and multi-phase materials with melting (or sublimation) points over or about 2500 °C. The first volume focuses on carbon (graphite/graphene) and refractory metals (W, Re, Os, Ta, Mo, Nb, Ir). The second and third volumes are dedicated solely to refractory (ceramic) compounds (oxides, nitrides, carbides, borides, silicides) and to the complex materials – refractory alloys, carbon and ceramic composites, respectively. It will be of interest to researchers, engineers, postgraduate, graduate and undergraduate students in various disciplines alike. The reader is provided with the full qualitative and quantitative assessment for the materials, which could be applied in various engineering devices and environmental conditions at ultra-high temperatures, on the basis of the latest updates in the field of physics, chemistry, materials science, nanotechnology and engineering.
Download or read book Light Metals 2012 written by Carlos Suarez and published by Springer. This book was released on 2016-12-23 with total page 1314 pages. Available in PDF, EPUB and Kindle. Book excerpt: An update of the definitive annual reference source in the field of aluminum production and related light metals technologies, a great mix of materials science and practical, applied technology surrounding aluminum, bauxite, aluminum reduction, rolling, casting, and production.
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 Dissertation Abstracts International written by and published by . This book was released on 2007 with total page 854 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computational Thermodynamics written by H. L. Lukas and published by . This book was released on 2007-07-12 with total page 342 pages. Available in PDF, EPUB and Kindle. Book excerpt: Phase diagrams are used in materials research and engineering to understand the interrelationship between composition, microstructure and process conditions. In complex systems, computational methods such as CALPHAD are employed to model thermodynamic properties for each phase and simulate multicomponent phase behavior. Written by recognized experts in the field, this is the first introductory guide to the CALPHAD method, providing a theoretical and practical approach. Building on core thermodynamic principles, this book applies crystallography, first principles methods and experimental data to computational phase behavior modeling using the CALPHAD method. With a chapter dedicated to creating thermodynamic databases, the reader will be confident in assessing, optimizing and validating complex thermodynamic systems alongside database construction and manipulation. Several case studies put the methods into a practical context, making this suitable for use on advanced materials design and engineering courses and an invaluable reference to those using thermodynamic data in their research or simulations.
Download or read book Methods for Phase Diagram Determination written by Ji-Cheng Zhao and published by Elsevier. This book was released on 2011-05-05 with total page 522 pages. Available in PDF, EPUB and Kindle. Book excerpt: Phase diagrams are "maps" materials scientists often use to design new materials. They define what compounds and solutions are formed and their respective compositions and amounts when several elements are mixed together under a certain temperature and pressure. This monograph is the most comprehensive reference book on experimental methods for phase diagram determination. It covers a wide range of methods that have been used to determine phase diagrams of metals, ceramics, slags, and hydrides.* Extensive discussion on methodologies of experimental measurements and data assessments * Written by experts around the world, covering both traditional and combinatorial methodologies* A must-read for experimental measurements of phase diagrams
Download or read book NASA Glenn Coefficients for Calculating Thermodynamic Properties of Individual Species written by Bonnie J. McBride and published by . This book was released on 2002 with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Theoretical Chemical Engineering Abstracts written by and published by . This book was released on 1980 with total page 620 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Chemical Thermodynamics of Zirconium written by and published by Elsevier. This book was released on 2005-12-06 with total page 545 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume is part of the series on "Chemical Thermodynamics", published under the aegis of the OECD Nuclear Energy Agency. It contains a critical review of the literature on thermodynamic data for inorganic compounds of zirconium. A review team, composed of five internationally recognized experts, has critically reviewed all the scientific literature containing chemical thermodynamic information for the above mentioned systems. The results of this critical review carried out following the Guidelines of the OECD NEA Thermochemical Database Project have been documented in the present volume, which contains tables of selected values for formation and reaction thermodynamical properties and an extensive bibliography.* Critical review of all literature on chemical thermodynamics for compounds and complexes of Zr.* Tables of recommended Selected Values for thermochemical properties* Documented review procedure* Exhaustive bibliography* Intended to meet requirements of radioactive waste management community* Valuable reference source for the physical, analytical and environmental chemist.
Download or read book Metallic Glasses and Their Composites written by D.V. Louzguine and published by Materials Research Forum LLC. This book was released on 2021-01-05 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metallic glasses and their crystal/glass composites find ever more applications in such fields as mini transformers, microelectromechanical devices, pressure sensors, precision surgical instruments, biological implants and sportive goods (springs, diaphragms, membranes, knife blades, electromagnetic wave shields, optical mirrors, power inductors, Coriolis flow meters, etc.). The book reviews recent research and suggests future developments, e.g. in the area of dual-phase composite/hybrid materials. Keywords: Metallic Glasses, Crystal/Glass Composites, Dual-phase Composite/Hybrid Materials, Supercooled Liquid, Devitrification, Magnetic Materials, Microelectromechanical Devices, Pressure Sensors, Orthopedic Screws, Precision Instruments, Biological Implants, Electromagnetic Wave Shields, Optical Mirrors, Power Inductors, Coriolis Flow Meters.
Download or read book Chemical Thermodynamics of Selenium written by and published by Elsevier. This book was released on 2005-04-16 with total page 896 pages. Available in PDF, EPUB and Kindle. Book excerpt: In order to quantitatively predict the chemical reactions that hazardous materials may undergo in the environment, it is necessary to know the relative stabilities of the compounds and complexes that may be found under certain conditions. This type of calculations may be done using consistent chemical thermodynamic data, such as those contained in this book for inorganic compounds and complexes of selenium.* Fully detailed authoritative critical review of literature.* Integrated into a comprehensive and consistent database for waste management applications.* CD ROM version.
Download or read book Bulk Metallic Glasses written by C. Suryanarayana and published by CRC Press. This book was released on 2017-11-22 with total page 529 pages. Available in PDF, EPUB and Kindle. Book excerpt: Reflecting the fast pace of research in the field, the Second Edition of Bulk Metallic Glasses has been thoroughly updated and remains essential reading on the subject. It incorporates major advances in glass forming ability, corrosion behavior, and mechanical properties. Several of the newly proposed criteria to predict the glass-forming ability of alloys have been discussed. All other areas covered in this book have been updated, with special emphasis on topics where significant advances have occurred. These include processing of hierarchical surface structures and synthesis of nanophase composites using the chemical behavior of bulk metallic glasses and the development of novel bulk metallic glasses with high-strength and high-ductility and superelastic behavior. New topics such as high-entropy bulk metallic glasses, nanoporous alloys, novel nanocrystalline alloys, and soft magnetic glassy alloys with high saturation magnetization have also been discussed. Novel applications, such as metallic glassy screw bolts, surface coatings, hyperthermia glasses, ultra-thin mirrors and pressure sensors, mobile phone casing, and degradable biomedical materials, are described. Authored by the world’s foremost experts on bulk metallic glasses, this new edition endures as an indispensable reference and continues to be a one-stop resource on all aspects of bulk metallic glasses.
