Central Library

The structure of amorphous materials using molecular dynamics / (Record no. 82895)

000 -LEADER
fixed length control field 06532nam a2200733 i 4500
001 - CONTROL NUMBER
control field 9780750324366
003 - CONTROL NUMBER IDENTIFIER
control field IOP
005 - DATE AND TIME OF LATEST TRANSACTION
control field 20230516170303.0
006 - FIXED-LENGTH DATA ELEMENTS--ADDITIONAL MATERIAL CHARACTERISTICS
fixed length control field m eo d
007 - PHYSICAL DESCRIPTION FIXED FIELD--GENERAL INFORMATION
fixed length control field cr cn |||m|||a
008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION
fixed length control field 221205s2022 enka fob 000 0 eng d
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
International Standard Book Number 9780750324366
Qualifying information ebook
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
International Standard Book Number 9780750324359
Qualifying information mobi
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
Canceled/invalid ISBN 9780750324342
Qualifying information print
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
Canceled/invalid ISBN 9780750324373
Qualifying information myPrint
024 7# - OTHER STANDARD IDENTIFIER
Standard number or code 10.1088/978-0-7503-2436-6
Source of number or code doi
035 ## - SYSTEM CONTROL NUMBER
System control number (CaBNVSL)thg00083499
035 ## - SYSTEM CONTROL NUMBER
System control number (OCoLC)1353822757
040 ## - CATALOGING SOURCE
Original cataloging agency CaBNVSL
Language of cataloging eng
Description conventions rda
Transcribing agency CaBNVSL
Modifying agency CaBNVSL
050 #4 - LIBRARY OF CONGRESS CALL NUMBER
Classification number QC176.8.A44
Item number M377 2022eb
072 #7 - SUBJECT CATEGORY CODE
Subject category code TGM
Source bicssc
072 #7 - SUBJECT CATEGORY CODE
Subject category code TEC021000
Source bisacsh
082 04 - DEWEY DECIMAL CLASSIFICATION NUMBER
Classification number 530.4/1
Edition number 23
100 1# - MAIN ENTRY--PERSONAL NAME
Personal name Massobrio, C.
Fuller form of name (Carlo),
Relator term author.
9 (RLIN) 70726
245 14 - TITLE STATEMENT
Title The structure of amorphous materials using molecular dynamics /
Statement of responsibility, etc. Carlo Massobrio.
264 #1 - PRODUCTION, PUBLICATION, DISTRIBUTION, MANUFACTURE, AND COPYRIGHT NOTICE
Place of production, publication, distribution, manufacture Bristol [England] (Temple Circus, Temple Way, Bristol BS1 6HG, UK) :
Name of producer, publisher, distributor, manufacturer IOP Publishing,
Date of production, publication, distribution, manufacture, or copyright notice [2022]
300 ## - PHYSICAL DESCRIPTION
Extent 1 online resource (various pagings) :
Other physical details illustrations (some color).
336 ## - CONTENT TYPE
Content type term text
Source rdacontent
337 ## - MEDIA TYPE
Media type term electronic
Source isbdmedia
338 ## - CARRIER TYPE
Carrier type term online resource
Source rdacarrier
490 1# - SERIES STATEMENT
Series statement [IOP release $release]
490 1# - SERIES STATEMENT
Series statement IOP ebooks. [2022 collection]
500 ## - GENERAL NOTE
General note "Version: 20221201"--Title page verso.
504 ## - BIBLIOGRAPHY, ETC. NOTE
Bibliography, etc. note Includes bibliographical references.
505 0# - FORMATTED CONTENTS NOTE
Formatted contents note 1. Introduction -- 1.1. Why this book?
505 8# - FORMATTED CONTENTS NOTE
Formatted contents note 2. Amorphous materials via atomic-scale modeling -- 2.1. The inspiring role of Glass Science -- 2.2. From experiments to modelling : toward a connection with atomic-scale tools -- 2.3. Accessing properties : direct and reciprocal space -- 2.4. Describing the network topology -- 2.5. Correlating structural and electronic properties -- 2.6. Neutron scattering as experimental counterpart to MD
505 8# - FORMATTED CONTENTS NOTE
Formatted contents note 3. Molecular dynamics to describe (amorphous) materials -- 3.1. Molecular dynamics : what for? -- 3.2. Beyond two-body potentials -- 3.3. Potentials for iono-covalent systems -- 3.4. Thermostats for molecular dynamics -- 3.5. First-principles molecular dynamics via the Car-Parrinello method -- 3.6. Getting acquainted with the total energy -- 3.7. Glassy materials and FPMD : criteria and challenges
505 8# - FORMATTED CONTENTS NOTE
Formatted contents note 4. A practical roadmap for FPMD on amorphous materials -- 4.1. Choice of the description : classical potentials vs first-principles -- 4.2. Methodology : the unavoidable choices to be made -- 4.3. Creating a computer glass via MD : the initial conditions -- 4.4. Production of trajectories and the setup of a thermal cycle -- 4.5. Dealing with FPMD odds and ends (including non-adiabaticity) : the case of SiN -- 4.6. The CPMD code and some thoughts on how to approach the 'code issue' : an autobiographical perspective
505 8# - FORMATTED CONTENTS NOTE
Formatted contents note 5. Cases treated via classical molecular dynamics -- 5.1. Learning about glasses from a Lennard-Jones monoatomic system -- 5.2. Amorphization by solid-state reaction in a metallic alloy
505 8# - FORMATTED CONTENTS NOTE
Formatted contents note 6. The atomic structure of disordered networks -- 6.1. General consideration : where do we start from? -- 6.2. The structure of liquid and glassy GeSe2 -- 6.3. The origin of the first-sharp diffraction peak -- 6.4. FSDP in disordered network : some considerations before to go on -- 6.5. Evidence of FSDP in SCC(k) : examples -- 6.6. What to learn from SCC(k) vs Szz(k) -- 6.7. Improving the description of chemical bonding
505 8# - FORMATTED CONTENTS NOTE
Formatted contents note 7. The effect of pressure on the structure of glassy GeSe2 and GeSe4 -- 7.1. Is there any pressure left? -- 7.2. GeSe2 under pressure : a density-driven transition -- 7.3. GeSe4 under pressure : when theory and experiments agree
505 8# - FORMATTED CONTENTS NOTE
Formatted contents note 8. Structural changes with composition in GexSe1-x glassy chalcogenides -- 8.1. Composition makes the difference : early calculations on liquid GeSe4 -- 8.2. Glassy GeSe4 and glassy SiSe4 and the 'structural variability' -- 8.3. Altering stoichiometry by adding Ge : glassy Ge2Se3
505 8# - FORMATTED CONTENTS NOTE
Formatted contents note 9. Moving ahead, better and bigger : GeS2, GeSe9 and GeSe4 vs GeS4 -- 9.1. Introduction -- 9.2. Glassy GeS2 -- 9.3. Glassy GeSe9 -- 9.4. Glassy GeS4 as compared to glassy GeSe4
505 8# - FORMATTED CONTENTS NOTE
Formatted contents note 10. Accounting for dispersion forces : glassy GeTe4 and related examples -- 10.1. Introduction -- 10.2. Functional and dispersion forces : four models to understand their impact on glassy GeTe4 -- 10.3. Dispersion forces and disordered GeSe2 : can we make any progress? -- 10.4. How to select the best dispersion prescription for glassy GeTe4? Part I -- 10.5. How to select the best dispersion prescription for glassy GeTe4? Part II
505 8# - FORMATTED CONTENTS NOTE
Formatted contents note 11. Ternary systems for applications : meeting the challenge -- 11.1. Introduction -- 11.2. Ge2Sb2Te5 -- 11.3. Ga10Ge15Te75
505 8# - FORMATTED CONTENTS NOTE
Formatted contents note 12. Past, present and future -- 12.1. Past : what else beyond structure? -- 12.2. From past to present, from structural to thermal properties : thermal conductivity -- 12.3. Future : the quest of quantitative predictions goes on, thoughts, recommendations and some very recent results.
520 3# - SUMMARY, ETC.
Summary, etc. This reference text demonstrates how molecular dynamics can be used in practice to achieve a precise understanding of structural properties for systems devoid of any order beyond the first interatomic distances. The reader will learn the basic principles underlying molecular dynamics with a special emphasis on first-principles methodology.
521 ## - TARGET AUDIENCE NOTE
Target audience note Researchers working in the areas of amorphous/disordered materials or materials modelling.
530 ## - ADDITIONAL PHYSICAL FORM AVAILABLE NOTE
Additional physical form available note Also available in print.
538 ## - SYSTEM DETAILS NOTE
System details note Mode of access: World Wide Web.
538 ## - SYSTEM DETAILS NOTE
System details note System requirements: Adobe Acrobat Reader, EPUB reader, or Kindle reader.
545 ## - BIOGRAPHICAL OR HISTORICAL DATA
Biographical or historical data Dr. Carlo Massobrio is a first-class research director at the Institute of Physics and Chemistry of Materials at CNRS/University of Strasbourg in France. Dr. Massobrio has researched molecular dynamics for over 35 years.
588 0# - SOURCE OF DESCRIPTION NOTE
Source of description note Title from PDF title page (viewed on December 5, 2022).
650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element Amorphous substances.
9 (RLIN) 8229
650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element Molecular dynamics.
9 (RLIN) 3975
650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element Materials science.
Source of heading or term bicssc
9 (RLIN) 5803
650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element TECHNOLOGY & ENGINEERING / Materials Science / General.
Source of heading or term bisacsh
9 (RLIN) 5932
710 2# - ADDED ENTRY--CORPORATE NAME
Corporate name or jurisdiction name as entry element Institute of Physics (Great Britain),
Relator term publisher.
9 (RLIN) 11622
776 08 - ADDITIONAL PHYSICAL FORM ENTRY
Relationship information Print version:
International Standard Book Number 9780750324342
-- 9780750324373
830 #0 - SERIES ADDED ENTRY--UNIFORM TITLE
Uniform title IOP (Series).
Name of part/section of a work Release 22.
9 (RLIN) 70727
830 #0 - SERIES ADDED ENTRY--UNIFORM TITLE
Uniform title IOP ebooks.
Name of part/section of a work 2022 collection.
9 (RLIN) 70728
856 40 - ELECTRONIC LOCATION AND ACCESS
Uniform Resource Identifier <a href="https://iopscience.iop.org/book/mono/978-0-7503-2436-6">https://iopscience.iop.org/book/mono/978-0-7503-2436-6</a>
942 ## - ADDED ENTRY ELEMENTS (KOHA)
Koha item type eBooks

No items available.