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Interatomic bonding in solids[electronic resource] :fundamentals, simulation, applications /

紀錄類型:	書目-語言資料,印刷品 : Monograph/item
杜威分類號:	530.41
書名/作者:	Interatomic bonding in solids : fundamentals, simulation, applications // Valim Levitin.
作者:	Levitin, Valim.
出版者:	Weinheim, Germany : : Wiley-VCH,, c2014.
面頁冊數:	1 online resource (xiii, 306 p.)
標題:	Solids.
標題:	Chemical bonds.
標題:	Density functionals - Computer simulation.
標題:	Materials science - Computer simulation.
標題:	Technology.
ISBN:	9783527671557 (electronic bk.)
ISBN:	3527671552 (electronic bk.)
ISBN:	9783527671571 (electronic bk.)
ISBN:	3527671579 (electronic bk.)
書目註:	Includes bibliographical references (p. 299-302) and index.
摘要、提要註:	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.
電子資源:	http://onlinelibrary.wiley.com/book/10.1002/9783527671557

Interatomic bonding in solids[electronic resource] :fundamentals, 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:

464502
Solids.

LC Class. No.: QC176 / .L48 2014

Dewey Class. No.: 530.41

Interatomic bonding in solids[electronic resource] :fundamentals, simulation, applications /
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020 $a 9783527671557 (electronic bk.)
020 $a 3527671552 (electronic bk.)
020 $a 9783527671571 (electronic bk.)
020 $a 3527671579 (electronic bk.)
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020 $z 3527335072
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050 4 $a QC176 $b .L48 2014
082 0 4 $a 530.41 $2 23
100 1 $a Levitin, Valim. $3 623552
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 464502
650 0 $a Chemical bonds. $3 214317
650 0 $a Density functionals $x Computer simulation. $3 623553
650 0 $a Materials science $x Computer simulation. $3 573903
650 0 $a Technology. $2 eflch $3 350567
856 4 0 $u http://onlinelibrary.wiley.com/book/10.1002/9783527671557