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Theoretical Studies On The Electronic Structure And Properties Of Complex Ceramic Crystals And Glasses
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Book Synopsis Theoretical Studies on the Electronic Structure and Properties of Complex Ceramic Crystals and Glasses by :
Download or read book Theoretical Studies on the Electronic Structure and Properties of Complex Ceramic Crystals and Glasses written by and published by . This book was released on 1990 with total page 31 pages. Available in PDF, EPUB and Kindle. Book excerpt: This annual report covers the last year of a three-year project supported by the Department of Energy that was started on July 1, 1986. Within these three years, a phenomenal amount of research results have been obtained. In the following section, Section II, we summarize the research work accomplished since July 1, 1986 as was documented in the renewal proposal. In Section III, we list additional accomplishments since the submission of the renewal proposal. Section IV contains the figures that have been referred to in Section II. In Section V, we list the scientific personnel and students that have been involved in the project. Technical papers published or submitted under the DOE support since the last annual report are documented in Section V. Because of the large number of papers published or submitted, reprint and preprint copies will be submitted separately instead of attaching in the form of appendix.
Book Synopsis Theoretical Studies on the Electronic Structure and Properties of Complex Ceramic Crystals and Glasses. Annual Progress Report, July 1, 1991--June 30, 1992 by :
Download or read book Theoretical Studies on the Electronic Structure and Properties of Complex Ceramic Crystals and Glasses. Annual Progress Report, July 1, 1991--June 30, 1992 written by and published by . This book was released on 1991 with total page 9 pages. Available in PDF, EPUB and Kindle. Book excerpt: This progress report summarizes the accomplishment of the DOE-support research program at the University of Missouri-Kansas City for the period July 1, 1991--June 30, 1992. This is the second year of a three-year renewal. The major accomplishments for the year are: (a) Initiation of fundamental studies on the electronic properties of C60 and related crystals; (b) study of electronic structures and optical properties of several important ceramic crystals, especially on AlN, SiO2 and Al2O3; (c) first-principles calculation of total energies and structural phase transitions in oxides, nitrides, and borides; (d) theory of magnetism in Nd2Fe14B permanent magnetic alloy. The major focus for the next year's effort will be on the following areas: (1) Continuation of the fundamental studies on the buckminsterfullerene system with particular emphasis on the alkali-doped superconducting fullerides. (2) Fundamental studies on the structure and properties of Boron and B-related compounds. (3) Basic studies on the structural and electronic properties of metallic glasses with particular emphasis on the magnetic glasses. (4) Further development of the first-principles OLCAO method for applications to super-complex systems.
Book Synopsis Theoretical Studies on the Electronic Structures and Properties of Complex Ceramic Crystals and Novel Materials by :
Download or read book Theoretical Studies on the Electronic Structures and Properties of Complex Ceramic Crystals and Novel Materials written by and published by . This book was released on 2012 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: This project is a continuation of a long program supported by the Office of Basic Energy Science in the Office of Science of DOE for many years. The final three-year continuation started on November 1, 2005 with additional 1 year extension to October 30, 2009. The project was then granted a two-year No Cost Extension which officially ended on October 30, 2011. This report covers the activities within this six year period with emphasis on the work completed within the last 3 years. A total of 44 papers with acknowledgement to this grant were published or submitted. The overall objectives of this project are as follows. These objectives have been evolved over the six year period: (1) To use the state-of-the-art computational methods to investigate the electronic structures of complex ceramics and other novel crystals. (2) To further investigate the defects, surfaces/interfaces and microstructures in complex materials using large scale modeling. (3) To extend the study on ceramic materials to more complex bioceramic crystals. (4) To initiate the study on soft condensed matters including water and biomolecules. (5) To focus on the spectroscopic studies of different materials especially on the ELNES and XANES spectral calculations and their applications related to experimental techniques. (6) To develop and refine computational methods to be effectively executed on DOE supercomputers. (7) To evaluate mechanical properties of different crystals and those containing defects and relate them to the fundamental electronic structures. (8) To promote and publicize the first-principles OLCAO method developed by the PI (under DOE support for many years) for applications to large complex material systems. (9) To train a new generation of graduate students and postdoctoral fellows in modern computational materials science and condensed matter physics. (10) To establish effective international and domestic collaborations with both experimentalists and theorists in materials research. Because of the large amount of work accomplished, a diverse class of materials covered and the desire for an easier reporting process, this report will list six categories (A to F) of major accomplishments and findings under the following headings with references to the published papers under DOE support. These six categories obviously have heavy overlaps. A complete list of published papers follows the brief description on each category. Each paper also indicates to which of the six categories the main accomplishment it belongs to. A. Electronic structure of complex and novel crystals B. Impurities, surfaces, interfaces and microstructures in ceramics C. Structures and properties of complex bioceramics D. Soft condensed matters E. Spectroscopic characterizations, XANES and ELNES spectroscopy F. Large-scale simulations.
Book Synopsis Scientific and Technical Aerospace Reports by :
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Book Synopsis Theoretical and Experimental Studies of Ba2SmTaO6 on Crystal Structure, Electronic Structure and Optical Properties by :
Download or read book Theoretical and Experimental Studies of Ba2SmTaO6 on Crystal Structure, Electronic Structure and Optical Properties written by and published by . This book was released on 2018 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
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Book Synopsis Government Reports Announcements & Index by :
Download or read book Government Reports Announcements & Index written by and published by . This book was released on 1988 with total page 1132 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Government Reports Annual Index by :
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Book Synopsis ERDA Energy Research Abstracts by : United States. Energy Research and Development Administration
Download or read book ERDA Energy Research Abstracts written by United States. Energy Research and Development Administration and published by . This book was released on 1976-05 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :United States. Energy Research and Development Administration. Technical Information Center Publisher : ISBN 13 : Total Pages :724 pages Book Rating :4.3/5 (129 download)
Book Synopsis ERDA Energy Research Abstracts by : United States. Energy Research and Development Administration. Technical Information Center
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Book Synopsis ERDA Research Abstracts by : United States. Energy Research and Development Administration
Download or read book ERDA Research Abstracts written by United States. Energy Research and Development Administration and published by . This book was released on 1976 with total page 716 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Guide to Programs by : National Science Foundation (U.S.).
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