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The Electronic And Magnetic Structure Of Fe Based Bulk Amorphous Metals An Ab Initio Approach
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Book Synopsis The Electronic and Magnetic Structure of Fe-based Bulk Amorphous Metals: An Ab-initio Approach by :
Download or read book The Electronic and Magnetic Structure of Fe-based Bulk Amorphous Metals: An Ab-initio Approach written by and published by . This book was released on 2002 with total page 7 pages. Available in PDF, EPUB and Kindle. Book excerpt: We applied the locally self-consistent multiple scattering (LSMS) method to the study Fe-based bulk amorphous metals. The LSMS method is an order-N approach to the electronic structure calculation for solid state materials based on density functional theory and local density approximation. Using LSMS method, we performed electronic structure calculations for the supercell samples generated by ab-initio molecular dynamics simulation. The equilibrium atomic volume and the bulk modulus are calculated based on the energy versus volume curve. The magnetic moment distribution in the samples is determined for both collinear and noncollinear cases. A comparison with the experimental results is also made.
Book Synopsis Physics of Amorphous Metals by : Nikolai P. Kovalenko
Download or read book Physics of Amorphous Metals written by Nikolai P. Kovalenko and published by John Wiley & Sons. This book was released on 2008-09-08 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: The discovery of bulk metallic glasses has led to a large increase in the industrial importance of amorphous metals, and this is expected to continue. This book is the first to describe the theoretical physics of amorphous metals, including the important theoretical development of the last 20 years. The renowned authors stress the universal aspects in their description of the phonon or magnon low-energy excitations in the amorphous metals, e.g. concerning the remarkable consequences of the properties of these excitations for the thermodynamics at low and intermediate temperatures. Tunneling excitations - another universal aspect of amorphous systems and responsible for many of their properties - is also intensively treated. Although the book is focused on analytical approaches, it also describes the numerical calculation of the atomic structure, the electronic excitations, and the itinerant magnetic properties of amorphous metallic alloys, while considering modern applications. While both theorists and experimentalist interested in amorphous metals will profit from this book, it will also be useful supplementary reading in courses on solid-state physics and material sciences.
Book Synopsis Supercooled Liquids, Glass Transition and Bulk Metallic Glasses: Volume 754 by : Takeshi Egami
Download or read book Supercooled Liquids, Glass Transition and Bulk Metallic Glasses: Volume 754 written by Takeshi Egami and published by . This book was released on 2003-07-16 with total page 512 pages. Available in PDF, EPUB and Kindle. Book excerpt: There has been a renaissance in glass science brought about by the development of concepts such as fragility index and the energy landscape with megabasins. Research on bulk metallic glasses has been explosive since their advent when MRS offered its first book on the topic. In 2000, a second book broadened the scope to include supercooled liquid, bulk glassy and nanocrystalline states. This book enhances the scope to include glass transition in diverse materials such as water, silicate and polymeric melts. Bringing these threads together in an interdisciplinary manner was fruitful and offers proof that while there is much common ground, gaps between various approaches to the glassy state remain to be bridged. Subjects include: the supercooled liquid; glass formability; structural relaxation and dynamics; structure determination and modeling; processing and applications of bulk metallic glasses; mechanical properties; mechanical properties - composites; crystallization; electronic and magnetic structure and properties; and nanoparticles and nonmetallic glasses.
Book Synopsis Electronic and Magnetic Properties of Amorphous Fe--P--B Alloys. [75 to 83 At. % Fe]. by :
Download or read book Electronic and Magnetic Properties of Amorphous Fe--P--B Alloys. [75 to 83 At. % Fe]. written by and published by . This book was released on 1976 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The ternary diagram of the amorphous phase in the splat-cooled Fe--P--B system was investigated by x-ray diffraction measurements. Alloys were found to be amorphous within the Fe concentration range 75 less than or equal to c/sub Fe/ less than or equal to 83 at. percent. For a fixed Fe concentration, B substitutes for P over a large scale, the maximum substitution occurring for c/sub Fe/ = 80 at. percent. Concentration dependence of the electronic and magnetic properties was systematically studied in alloys within the whole amorphous diagram by means of bulk magnetization, anti .mu. (4.2/sup 0/K), Curie temperature, T/sub c/, and electrical resistivity, rho, measurements from 4.2/sup 0/K up to the amorphous-crystal transformation. The composition dependence of anti .mu. and T/sub c/ when B substitutes for P at c/sub Fe/ constant suggests the existence of two different short-range orders in the amorphous alloys, corresponding to the epsilon and epsilon/sub 1/ crystal structures in the Fe/sub 3/P/sub 1-x/B/sub x/ compounds. The concentration dependence of anti .mu. and T/sub c/ when P (or B) substitutes for Fe at c/sub B/ (or c/sub P/) constant is explained by a comparison between the amorphous Fe and the fcc Fe. A minimum in the variation of rho as a function of the temperature T occurs at T/sub m/. The temperature dependence of rho is expressed by a phenomenological law: rho(T) = rho/sub 0/ + A log T + B T/sup 2/ + CT. The concentration dependence of T/sub m/ and of the coefficients A and B is discussed in relation with the magnetic and structural properties of the amorphous Fe--P--B alloys. 10 figures, 1 table.
Download or read book Metals Abstracts written by and published by . This book was released on 1998 with total page 1076 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Bulk Metallic Glasses by : C. Suryanarayana
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 543 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.
Book Synopsis Electronic Structures and Magnetic Properties of Iron in Various Magnetic States and Structural Phases by : Songshi S. Peng
Download or read book Electronic Structures and Magnetic Properties of Iron in Various Magnetic States and Structural Phases written by Songshi S. Peng and published by . This book was released on 1991 with total page 228 pages. Available in PDF, EPUB and Kindle. Book excerpt: Total energy calculations based on density functional theory are generally a good approach to obtain the properties of solids. The local density approximation (LDA) is widely used for calculating the ground state properties of electronic systems; for excited states the errors are in general unknown. The important aspects of LDA pertain to the modeling of the exchange-correlation interaction. If the exchange-correlation potential is approximately the same for the ground and excited states, one expects good results from the LDA calculations for excited states. In this thesis, we utilize the total energy technique for numerical computations of the electronic structure of iron in several magnetic phases and crystalline structures. 1. Body-centered-cubic iron in the ferromagnetic and several antiferromagnetic configurations. We use the total energy results to obtain the parameters in a model Heisenberg Hamiltonian. These include the interaction parameters up to 6-th nearest neighbors. Based on this model Hamiltonian we calculate properties such as the critical (Curie) temperature and spin stiffness constant. We assume that the total exchangecorrelation energy functional is the same in the ferromagnetic ground state and the antiferromagnetic excited states. Our model parameters are based directly on ab initio calculations of the electronic structure. Our calculation yields good results compared with experimental values and earlier work. Some other physical quantities, related to the phase transition, and spin waves are also discussed. 2. Face-centered-tetragonal iron. If iron is grown on a proper substrate (e.g., Cu(100)), the crystal structure of the thin film displays a face-centered-tetragonal distortion due to the lattice constant misfit between the film and substrate. Therefore, we performed calculations for fct iron in its ferromagnetic, antiferromagnetic, and nonmagnetic phases for a wide range of values of the lattice parameters. In the ferromagnetic calculations, we found two minima in the total energy: one is close to.the bcc structure and the other (with a lower energy) is close to fcc. In the antiferromagnetic and nonmagnetic calculations, we found in each case that there is only one minimum near the fcc structure, providing us clear evidence that the antiferromagnetic and nonmagnetic states are (meta)stable near the fcc region and unstable in bcc region. The antiferromagnetic and nonmagnetic states are almost degenerate near the fcc minimum, but the antiferromagnetic phase has the lowest total energy in the whole fct region. Magnetic moments are also calculated for a variety of fct structures. Near the fcc minimum we found that two ferromagnetic phases co-exist, one with a low spin and one with a high spin. These results are consistent with experimental facts and other earlier calculations. Some structural properties, such as the elastic constants and the bulk modulus, are also studied and compared with experimental data and some earlier calculations.
Book Synopsis Proceedings of PP1594: Topological Engineering of Ultrastrong Glasses by : Lothar Wondraczek
Download or read book Proceedings of PP1594: Topological Engineering of Ultrastrong Glasses written by Lothar Wondraczek and published by Frontiers Media SA. This book was released on 2021-02-25 with total page 169 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Physics Briefs written by and published by . This book was released on 1993 with total page 1116 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Scientific and Technical Aerospace Reports by :
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1994 with total page 892 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Metals Abstracts Index written by and published by . This book was released on 1996 with total page 1634 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Reviews in Computational Chemistry, Volume 25 by : Kenny B. Lipkowitz
Download or read book Reviews in Computational Chemistry, Volume 25 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2007-11-02 with total page 450 pages. Available in PDF, EPUB and Kindle. Book excerpt: VOLUME 25 Reviews in Computational Chemistry Kenny B. Lipkowitz and Thomas R. Cundari This Volume, Like Those Prior To It, Features Pedagogically Driven Reviews By Experts In Various Fields Of Computational Chemistry. Volume 25 Contains: Eight Chapters Covering The Glass Transition In Polymer Melts, Atomistic Modeling Of Friction, The Computation Of Free Volume, Structural Order And Entropy Of Liquids And Glasses, The Reactivity Of Materials At Extreme Conditions, Magnetic Properties Of Transition Metal Clusters, Multiconfigurational Quantum Methods For The Treatment Of Heavy Metals, Recursive Solutions To Large Eigenvalue Problems, And The Development And Uses Of Artificial Intelligence In Chemistry. From Reviews of the Series "Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry." -JOURNAL OF MOLECULAR GRAPHICS AND MODELLING "One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)." -JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Download or read book Chemical Abstracts written by and published by . This book was released on 2002 with total page 2540 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Transparent Electronics by : Antonio Facchetti
Download or read book Transparent Electronics written by Antonio Facchetti and published by John Wiley & Sons. This book was released on 2010-03-25 with total page 470 pages. Available in PDF, EPUB and Kindle. Book excerpt: The challenge for producing “invisible” electronic circuitry and opto-electronic devices is that the transistor materials must be transparent to visible light yet have good carrier mobilities. This requires a special class of materials having “contra-indicated properties” because from the band structure point of view, the combination of transparency and conductivity is contradictory. Structured to strike a balance between introductory and advanced topics, this monograph juxtaposes fundamental science and technology / application issues, and essential materials characteristics versus device architecture and practical applications. The first section is devoted to fundamental materials compositions and their properties, including transparent conducting oxides, transparent oxide semiconductors, p-type wide-band-gap semiconductors, and single-wall carbon nanotubes. The second section deals with transparent electronic devices including thin-film transistors, photovoltaic cells, integrated electronic circuits, displays, sensors, solar cells, and electro-optic devices. Describing scientific fundamentals and recent breakthroughs such as the first “invisible” transistor, Transparent Electronics: From Synthesis to Applications brings together world renowned experts from both academia, national laboratories, and industry.
Book Synopsis Alloys and Intermetallic Compounds by : Cristina Artini
Download or read book Alloys and Intermetallic Compounds written by Cristina Artini and published by CRC Press. This book was released on 2017-07-12 with total page 267 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on the role of modeling in the design of alloys and intermetallic compounds. It includes an introduction to the most important and most used modeling techniques, such as CALPHAD and ab-initio methods, as well as a section devoted to the latest developments in applications of alloys. The book emphasizes the correlation between modeling and technological developments while discussing topics such as wettability of Ultra High Temperature Ceramics by metals, active brazing of diamonds to metals in cutting tools, surface issues in medicine, novel Fe-based superconductors, metallic glasses, high entropy alloys, and thermoelectric materials.
Download or read book Materials Transactions, JIM. written by and published by . This book was released on 1996 with total page 428 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Elementary Electronic Structure by : Walter Ashley Harrison
Download or read book Elementary Electronic Structure written by Walter Ashley Harrison and published by World Scientific. This book was released on 2004 with total page 866 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is a revised edition of the 1999 text on the electronic structure and properties of solids, similar in spirit to the well-known 1980 text Electronic Structure and the Properties of Solids. The revisions include an added chapter on glasses, and rewritten sections on spin-orbit coupling, magnetic alloys, and actinides. The text covers covalent semiconductors, ionic insulators, simple metals, and transition-metal and f-shell-metal systems. It focuses on the most important aspects of each system, making what approximations are necessary in order to proceed analytically and obtain formulae for the properties. Such back-of-the-envelope formulae, which display the dependence of any property on the parameters of the system, are characteristic of Harrison's approach to electronic structure, as is his simple presentation and his provision of all the needed parameters.In spite of the diversity of systems and materials, the approach is systematic and coherent, combining the tight-binding (or atomic) picture with the pseudopotential (or free-electron) picture. This provides parameters ? the empty-core radii as well as the covalent energies ? and conceptual bases for estimating the various properties of all these systems. Extensive tables of parameters and properties are included.The book has been written as a text, with problems at the end of each chapter, and others can readily be generated by asking for estimates of different properties, or different materials, than those treated in the text. In fact, the ease of generating interesting problems reflects the extraordinary utility and simplicity of the methods introduced. Developments since the 1980 publication have made the theory simpler and much more accurate, besides allowing much wider application.
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