Download or read book Ab Initio Studies of Mo based Alloys written by and published by . This book was released on 2013 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Mo-based alloys hold great potential as structural materials for applications at ultra-high temperatures. In order to reliably predict mechanical and thermodynamic properties of Mo-based alloys, the MoeSieB model system is studied using first-principles density functional theory methods. Specifically, five intermetallic compounds MoSi2, Mo5Si3, Mo3Si, Mo5SiB2 and Mo2B are chosen, and their equilibrium lattice parameters, elastic properties, phonon spectra, and thermodynamic properties are calculated and compared, most of them for the first time. It is shown that for the calculated properties where the measured data are available, the predicted results are in very good agreement with available experiments, thus validate our computational methodologies. Our comprehensive and systematic calculations reveal many interesting and previously unknown features in the mechanical and vibrational properties of these alloys in relation to their structure and composition. It is shown that boron in the Mo-Si-B system enhances elastic and bulk properties without compromising ductility. MoSi2, which has the largest Si concentration, also has the largest elastic anisotropy compared with the other four crystals.
Download or read book AB INITIO Modeling of Thermomechanical Properties of Mo Based Alloys for Fossil Energy Conversion written by and published by . This book was released on 2013 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: In this final scientific/technical report covering the period of 3.5 years started on July 1, 2011, we report the accomplishments on the study of thermo-mechanical properties of Mo-based intermetallic compounds under NETL support. These include computational method development, physical properties investigation of Mo-based compounds and alloys. The main focus is on the mechanical and thermo mechanical properties at high temperature since these are the most crucial properties for their potential applications. In particular, recent development of applying ab initio molecular dynamic (AIMD) simulations to the T1 (Mo5Si3) and T2 (Mo5SiB2) phases are highlighted for alloy design in further improving their properties.
Download or read book Springer Handbook of Glass written by J. David Musgraves and published by Springer Nature. This book was released on 2019-11-08 with total page 1851 pages. Available in PDF, EPUB and Kindle. Book excerpt: This handbook provides comprehensive treatment of the current state of glass science from the leading experts in the field. Opening with an enlightening contribution on the history of glass, the volume is then divided into eight parts. The first part covers fundamental properties, from the current understanding of the thermodynamics of the amorphous state, kinetics, and linear and nonlinear optical properties through colors, photosensitivity, and chemical durability. The second part provides dedicated chapters on each individual glass type, covering traditional systems like silicates and other oxide systems, as well as novel hybrid amorphous materials and spin glasses. The third part features detailed descriptions of modern characterization techniques for understanding this complex state of matter. The fourth part covers modeling, from first-principles calculations through molecular dynamics simulations, and statistical modeling. The fifth part presents a range of laboratory and industrial glass processing methods. The remaining parts cover a wide and representative range of applications areas from optics and photonics through environment, energy, architecture, and sensing. Written by the leading international experts in the field, the Springer Handbook of Glass represents an invaluable resource for graduate students through academic and industry researchers working in photonics, optoelectronics, materials science, energy, architecture, and more.
Download or read book Metals Advances in Research and Application 2011 Edition written by and published by ScholarlyEditions. This book was released on 2012-01-09 with total page 852 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metals: Advances in Research and Application: 2011 Edition is a ScholarlyEditions™ eBook that delivers timely, authoritative, and comprehensive information about Metals. The editors have built Metals: Advances in Research and Application: 2011 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Metals in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Metals: Advances in Research and Application: 2011 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.
Download or read book Application of Ab Initio and CALPHAD Thermodynamics to Mo Ta W Alloys written by and published by . This book was released on 2004 with total page 42 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computational Thermodynamics written by Hans 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 Energy Research Abstracts written by and published by . This book was released on 1978 with total page 548 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Experimental and Computational Investigation of Multi principal Element Alloys written by Mohsen Beyramali Kivy and published by . This book was released on 2017 with total page 121 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Multi-principal element (MPE) alloys, unlike traditional alloys, consist of five or more principal elements with near equi-atomic compositions creating a large new compositional space for exploring new alloy possibilities. However, designing MPE alloys with the desired phases, microstructures and properties is challenging task, and there is a demand for basic research for a better understanding of structure-processing-property relations in these alloys. In this Ph.D. research, different computational models and experiments were integrated to study phase formations, and mechanical properties of different MPE alloys. Density functional theory (DFT) and ab initio molecular dynamics (AIMD) simulations were used to determine crystal structures, phase stability, and plastic deformation mechanisms. A modified thermodynamic approach was developed to calculate the phase diagrams of MPE alloys, and the accuracy of this approach was tested against commercial software. Experimental casting and characterization, and literature data were used to validate modeling predictions. The phase diagram calculations of AlFeCoNiCu HEA showed coexistence of two phases at room temperature and stabilization of one phase above 1070 K at the equiatomic composition. The characterization experiments confirmed the crystal structures and composition of phases. To investigate the plastic deformation mechanisms and ductilities of CoCrFeNi-based HEAs, unstable and intrinsic stacking fault and unstable twinning energies were determined by DFT calculations. Finally, the effects of interstitial carbon on the phase formations in Al[sub x]FeCoCrNiCu HEAs were investigated, showing formation of different possible carbides and inter-granular graphite"--Abstract, page iv.
Download or read book Thermoelectrics and its Energy Harvesting 2 Volume Set written by David Michael Rowe and published by CRC Press. This book was released on 2018-10-03 with total page 1120 pages. Available in PDF, EPUB and Kindle. Book excerpt: Comprising two volumes, Thermoelectrics and Its Energy Harvesting reviews the vast improvements in technology and application of thermoelectric energy with a specific intention to reduce and reuse waste heat and improve novel techniques for the efficient acquisition and use of energy.Materials, Preparation, and Characterization in Thermoelectrics i
Download or read book Computational Quantum Mechanics for Materials Engineers written by Levente Vitos and published by Springer Science & Business Media. This book was released on 2007-08-10 with total page 237 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is the only book to cover the most recent developments in applied quantum theory and their use in modeling materials properties. It describes new approaches to modeling disordered alloys and focuses on those approaches that combine the most efficient quantum-level theories of random alloys with the most sophisticated numerical techniques. In doing so, it establishes a theoretical insight into the electronic structure of complex materials such as stainless steels, Hume-Rothery alloys and silicates.
Download or read book High Entropy Alloys written by Michael C. Gao and published by Springer. This book was released on 2016-04-27 with total page 524 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a systematic and comprehensive description of high-entropy alloys (HEAs). The authors summarize key properties of HEAs from the perspective of both fundamental understanding and applications, which are supported by in-depth analyses. The book also contains computational modeling in tackling HEAs, which help elucidate the formation mechanisms and properties of HEAs from various length and time scales.
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1994 with total page 652 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Energy Research Abstracts written by and published by . This book was released on 1985 with total page 1162 pages. Available in PDF, EPUB and Kindle. Book excerpt: Semiannual, with semiannual and annual indexes. References to all scientific and technical literature coming from DOE, its laboratories, energy centers, and contractors. Includes all works deriving from DOE, other related government-sponsored information, and foreign nonnuclear information. Arranged under 39 categories, e.g., Biomedical sciences, basic studies; Biomedical sciences, applied studies; Health and safety; and Fusion energy. Entry gives bibliographical information and abstract. Corporate, author, subject, report number indexes.
Download or read book Phase Transformations in Steels written by Elena Pereloma and published by Elsevier. This book was released on 2012-05-11 with total page 673 pages. Available in PDF, EPUB and Kindle. Book excerpt: The processing-microstructure-property relationships in steels continue to present challenges to researchers because of the complexity of phase transformation reactions and the wide spectrum of microstructures and properties achievable. This major two-volume work summarises the current state of research on phase transformations in steels and its implications for the emergence of new steels with enhanced engineering properties.Volume 2 reviews current research on diffusionless transformations and phase transformations in high strength steels, as well as advances in modelling and analytical techniques which underpin this research. Chapters in part one discuss the crystallography and kinetics of martensite transformations, the morphology, substructure and tempering of martensite as well as shape memory in ferrous alloys. Part two summarises research on phase transformations in high strength low alloy (HSLA) steels, transformation induced plasticity (TRIP)-assisted multiphase steels, quenched and partitioned steels, advanced nanostructured bainitic steels, high manganese twinning induced plasticity (TWIP) and maraging steels. The final two parts of the book review advances in modelling and the use of advanced analytical techniques to improve our understanding of phase transformations in steels.With its distinguished editors and distinguished international team of contributors, the two volumes of Phase transformations in steels is a standard reference for all those researching the properties of steel and developing new steels in such areas as automotive engineering, oil and gas and energy production. Alongside its companion volume, this major two-volume work summarises the current state of research on phase transformations in steels Reviews research on diffusionless transformations and phase transformations in high strength steels Examines advances in modelling and the use of advanced analytical techniques to improve understanding of phase transformations in steels
Download or read book Ab initio Numerical Studies in Semiconductor Alloys written by Stefano De Gironcoli and published by . This book was released on 1992 with total page 84 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book High Pressure Studies of Crystalline Materials written by Daniel Errandonea and published by MDPI. This book was released on 2018-08-10 with total page 331 pages. Available in PDF, EPUB and Kindle. Book excerpt: High-Pressure Studies of Crystalline Materials.
Download or read book Nuclear Science Abstracts written by and published by . This book was released on 1976 with total page 1292 pages. Available in PDF, EPUB and Kindle. Book excerpt:
