Librería Portfolio

As one of the results of an ambitious project, this handbook provides a well-structured directory
of globally available software tools in the area of Integrated Computational Materials
Engineering (ICME).
The compilation covers models, software tools, and numerical methods allowing describing
electronic, atomistic, and mesoscopic phenomena, which in their combination determine the
microstructure and the properties of materials. It reaches out to simulations of component
manufacture comprising primary shaping, forming, joining, coating, heat treatment, and
machining processes. Models and tools addressing the in-service behavior like fatigue, corrosion,
and eventually recycling complete the compilation.
An introductory overview is provided for each of these different modelling areas highlighting the
relevant phenomena and also discussing the current state for the different simulation approaches.
A must-have for researchers, application engineers, and simulation software providers seeking
a holistic overview about the current state of the art in a huge variety of modelling topics.
This handbook equally serves as a reference manual for academic and commercial software developers
and providers, for industrial users of simulation software, and for decision makers seeking
to optimize their production by simulations. In view of its sound introductions into the different
fields of materials physics, materials chemistry, materials engineering and materials processing
it also serves as a tutorial for students in the emerging discipline of ICME, which requires a broad
view on things and at least a basic education in adjacent fields.



Table of Contents

List of Contributors XVII

Preface XXVII

1 Introduction 1
Georg J. Schmitz and Ulrich Prahl

1.1 Motivation 1

1.2 What is ICME? 2

1.3 Industrial Needs for ICME 4

1.4 Present ICME 9

1.5 Scope of this Book 11

1.6 Structure of the Book 13

References 17

2 Modeling at the Process and Component Scales 19

2.1 Overview of Processing Methods and Process Chains 21
Ralph Bernhardt and Georg J. Schmitz

2.1.1 History of Metalworking 22

2.1.2 History of Modeling of Manufacturing Processes 23

2.1.3 Overview of Processing Methods 25

2.1.4 Processes and Process Chains 26

2.1.5 Benefits of Modeling Process Chains 27

2.1.6 Available Modeling Tools at Component Scale 29

References 30

Appendix 32

2.2 Primary Shaping Processes 35
Christoph Broeckmann, Christian Hopmann, Georg J. Schmitz, Sree Koundinya Sistla, Marcel Spekowius, Roberto Spina, and Chung Van Nguyen

2.2.1 Overview 35

2.2.1.1 Solidification and Crystal Growth 36

2.2.2 Casting 36

2.2.3 Plastics Processing 38

2.2.4 Sintering 41

2.2.5 Additive Manufacturing 44

2.2.6 Typical Applications of Simulations in Primary Shaping Processes 44

2.2.6.1 Casting 44

2.2.6.2 Plastics Processing 45

2.2.6.3 Sintering 46

2.2.7 Phenomena to be Modeled 48

2.2.7.1 Casting/Crystal Growth 48

2.2.7.2 Plastics Processing 50

2.2.7.3 Sintering 50

2.2.8 Basic Equations to be Solved 51

2.2.8.1 Casting/Plastics Processing 51

2.2.8.2 Sintering 52

2.2.9 Initial and Boundary Conditions 54

2.2.9.1 Casting 54

2.2.9.2 Plastics Processing 54

2.2.9.3 Sintering 55

2.2.10 Required Data and their Origin 55

2.2.10.1 Casting 55

2.2.10.2 Sintering 56

2.2.10.3 Plastics Processing 57

2.2.11 Simulation Codes in the Area of Primary Shaping 58

References 78

Further Reading 79

2.3 Forming Processes 81
Stephan Hojda and Markus Bambach

2.3.1 Overview: Manufacturing Process Forming 81

2.3.2 Phenomena Occurring during Forming Processes 81

2.3.2.1 Finite Strain Deformation 83

2.3.2.2 Strain Hardening 83

2.3.2.3 Contact 84

2.3.2.4 Friction 84

2.3.2.5 Instability and Damage 84

2.3.2.6 Heat Transfer 84

2.3.3 Modeling and Simulation Methods 85

2.3.4 Typical Applications of Forming Simulations 86

2.3.5 Initial and Boundary Conditions 87

2.3.6 Required Data and their Origin 88

2.3.7 Numerical Aspects 90

2.3.8 Software Codes 91

References 93

2.4 Heat Treatment 97
Martin Hunkel

2.4.1 Introduction into Heat Treatment 97

2.4.2 Heat Transfer in and out of a Part 98

2.4.2.1 Thermal Conduction 98

2.4.2.2 Heat Transfer 99

2.4.2.3 Thermal Radiation 99

2.4.2.4 Convective Heat Transfer 100

2.4.2.5 Cooling in Vaporizing Liquids 100

2.4.2.6 Solid-Solid Heat Transfer 101

2.4.2.7 Electromagnetic Heating 101

2.4.3 Microstructure 101

2.4.3.1 Phase Transformations and Precipitations 102

2.4.3.2 Recrystallization and Grain Growth 103

2.4.4 Mechanical Behavior during Heat Treatment 104

2.4.4.1 Thermal and Transformation Strain 104

2.4.4.2 Transformation Plasticity 104

2.4.5 Thermochemical Treatment 105

2.4.5.1 Carburizing and Carbonitriding 106

2.4.5.2 Nitriding and Nitrocarburizing 106

2.4.6 Heat Treatment Simulation 107

2.4.6.1 Specific Remarks on Heat Treatment Simulations 107

2.4.6.2 Specialized Software 108

References 109

2.5 Joining Processes 111
Ulrike Beyer, Gerson Meschut, Stephan Horstmann, and Ralph Bernhardt

2.5.1 Introduction 111

2.5.2 Basics and Definitions 112

2.5.2.1 Definition 112

2.5.2.2 Joint 112

2.5.2.3 Process 113

2.5.2.4 Joining Simulation 114

2.5.3 Welding 115

2.5.3.1 Products and Industries 115

2.5.3.2 Technical Solution Based on Structural Welding Simulation 117

2.5.4 Joining by Forming 120

2.5.4.1 Technological Overview 120

2.5.4.2 Virtual Joining Factory 124

2.5.5 Software for Joining Processes 128

References 133

2.6 Thick Coating Formation Processes 135
Kirsten Bobzin, Mehmet Öte, Thomas Frederik Linke, and Ilkin Alkhasli

2.6.1 Overview 135

2.6.2 Typical Applications of Coating Simulations 136

2.6.3 Phenomena Occurring During Coating Formation 137

2.6.4 Basic Equations to Model the Phenomena 139

2.6.5 Initial and Boundary Conditions 140

2.6.6 Process Modeling on the Example of Thermal Spraying 140

2.6.6.1 Heat Generation in Combustion Chamber/Plasma Generator 141

2.6.6.2 Free Jet and Particle Jet 143

2.6.6.3 Particle Impact and Coating Growth on the Substrate 145

2.6.6.4 Homogenization Methods Based on Finite Elements 145

2.6.6.5 Modeling and Simulation of In-Service Coating Behavior 147

2.6.6.6 Validation of Results 147

2.6.7 Conclusion 150

2.6.8 Software Tools 151

References 153

2.7 Thin-Film Deposition Processes 157
Andreas Pflug, Michael Siemers, ThomasMelzig, Martin Keunecke, Lothar Schäfer, and Günter Bräuer

2.7.1 Introduction 157

2.7.2 Overview ofThin-Film Deposition Methods 159

2.7.3 Modeling of Thin-Film Deposition as a Multiscale Problem 165

2.7.4 Software Codes 172

References 186

2.8 Machining 19
André Teixeira, Markus Krömer, and Roland Müller

2.8.1 Introduction to Machining Processes 191

2.8.2 General Aspects of Machining Simul