國立高雄大學圖資館 |

Language: English

Back to Search results for [ subject:"Density functionals" ]

Interatomic bonding in solidsfundame...

Levitin, Valim.

Interatomic bonding in solidsfundamentals, simulation, applications /

Record Type:	Electronic resources : Monograph/item
Title/Author:	Interatomic bonding in solidsValim Levitin.
Reminder of title:	fundamentals, simulation, applications /
Author:	Levitin, Valim.
Published:	Weinheim, Germany :Wiley-VCH,c2014.
Description:	1 online resource (xiii, 306 p.)
Subject:	Solids.
Online resource:	http://onlinelibrary.wiley.com/book/10.1002/9783527671557
ISBN:	9783527671557 (electronic bk.)

Interatomic bonding in solidsfundamentals, simulation, applications /
Levitin, Valim.

Interatomic bonding in solidsfundamentals, simulation, applications /[electronic resource] :Valim Levitin. - Weinheim, Germany :Wiley-VCH,c2014. - 1 online resource (xiii, 306 p.)

Includes bibliographical references (p. 299-302) and index.

The connection between a quantum behavior of the structure elements of a substance and the parameters that determine the macroscopic behavior of materials has a major influence on the properties exhibited by different solids. Although quantum theory and engineering should complement each other, this is not always the case. This book aims to demonstrate how the properties of materials can be derived and predicted proceeding from the features of their structural elements, generally electrons. In a sense, electronic structure forms the glue holding solids as whole, and it is central in determining structural, mechanical, chemical, electrical, magnetic and vibrational properties. The main part of the book is devoted an overview of the fundamentals of the density functional theory and its applications to computational solid state physics and chemistry. The author shows in detail the technique of construction of models and the methods of their computer simulation. He considers physical and chemical fundamentals of interatomic bonding in solids and analyzes the predicted theoretical outcome in comparison with experimental data. This is applying the first-principle simulation methods so as to predict the properties of transition metals, semiconductors, oxides, solid solutions, molecular and ionic crystals. Unique in presenting are novel theories of creep and fatigue that help to anticipate - and prevent - possible fatal material failures.As a result, users gain the knowledge and tools to simulate material properties and to design materials with desired characteristics. Due to the interdisciplinary nature of the book, it is suitable for a variety of markets from students and lectures to engineers and researchers.

ISBN: 9783527671557 (electronic bk.)

Publisher. No.: EB00196727Recorded BooksSubjects--Topical Terms:

203904
Solids.

LC Class. No.: QC176 / .L48 2014

Dewey Class. No.: 530.41

Interatomic bonding in solidsfundamentals, simulation, applications /
LDR:02879cmm a2200313Ia 4500 001 467256
003 OCoLC
005 20140507100120.0
006 m o d
007 cr |||||||||||
008 160107s2014 gw ob 001 0 eng d
020 $a 9783527671557 (electronic bk.)
020 $a 3527671552 (electronic bk.)
020 $a 9783527671571 (electronic bk.)
020 $a 3527671579 (electronic bk.)
020 $z 9783527335077
020 $z 3527335072
028 0 1 $a EB00196727 $b Recorded Books
035 $a (OCoLC)872649140
035 $a ocn872649140
040 $a RECBK $b eng $c RECBK $d OCLCO $d DG1 $d OCLCO $d CUS
050 4 $a QC176 $b .L48 2014
082 0 4 $a 530.41 $2 23
100 1 $a Levitin, Valim. $3 722000
245 1 0 $a Interatomic bonding in solids $h [electronic resource] : $b fundamentals, simulation, applications / $c Valim Levitin.
260 $a Weinheim, Germany : $b Wiley-VCH, $c c2014.
300 $a 1 online resource (xiii, 306 p.)
504 $a Includes bibliographical references (p. 299-302) and index.
520 $a The connection between a quantum behavior of the structure elements of a substance and the parameters that determine the macroscopic behavior of materials has a major influence on the properties exhibited by different solids. Although quantum theory and engineering should complement each other, this is not always the case. This book aims to demonstrate how the properties of materials can be derived and predicted proceeding from the features of their structural elements, generally electrons. In a sense, electronic structure forms the glue holding solids as whole, and it is central in determining structural, mechanical, chemical, electrical, magnetic and vibrational properties. The main part of the book is devoted an overview of the fundamentals of the density functional theory and its applications to computational solid state physics and chemistry. The author shows in detail the technique of construction of models and the methods of their computer simulation. He considers physical and chemical fundamentals of interatomic bonding in solids and analyzes the predicted theoretical outcome in comparison with experimental data. This is applying the first-principle simulation methods so as to predict the properties of transition metals, semiconductors, oxides, solid solutions, molecular and ionic crystals. Unique in presenting are novel theories of creep and fatigue that help to anticipate - and prevent - possible fatal material failures.As a result, users gain the knowledge and tools to simulate material properties and to design materials with desired characteristics. Due to the interdisciplinary nature of the book, it is suitable for a variety of markets from students and lectures to engineers and researchers.
588 $a Description based on online resource; title from PDF title page (Wiley, viewed April 28, 2014)
650 0 $a Solids. $3 203904
650 0 $a Chemical bonds. $3 194338
650 0 $a Density functionals $x Computer simulation. $3 722001
650 0 $a Materials science $x Computer simulation. $3 247540
650 0 $a Technology. $3 242572
856 4 0 $u http://onlinelibrary.wiley.com/book/10.1002/9783527671557