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Advanced Engineering Materials and Modeling

ISBN: 978-1-119-24246-8
528 pages
August 2016
Advanced Engineering Materials and Modeling (1119242460) cover image

Description

The engineering of materials with advanced features is driving the research towards the design of innovative materials with high performances. New materials often deliver the best solution for structural applications, precisely contributing towards the finest combination of mechanical properties and low weight. The mimicking of nature's principles lead to a new class of structural materials including biomimetic composites, natural hierarchical materials and smart materials. Meanwhile, computational modeling approaches are the valuable tools complementary to experimental techniques and provide significant information at the microscopic level and explain the properties of materials and their very existence. The modeling also provides useful insights to possible strategies to design and fabricate materials with novel and improved properties. The book brings together these two fascinating areas and offers a comprehensive view of cutting-edge research on materials interfaces and technologies the engineering materials. The topics covered in this book are divided into 2 parts: Engineering of Materials, Characterizations & Applications and Computational Modeling of Materials. The chapters include the following:

  • Mechanical and resistance behavior of structural glass beams
  • Nanocrystalline metal carbides - microstructure characterization
  • SMA-reinforced laminated glass panel
  • Sustainable sugarcane bagasse cellulose for papermaking
  • Electrospun scaffolds for cardiac tissue engineering
  • Bio-inspired composites
  • Density functional theory for studying extended systems
  • First principles based approaches for modeling materials
  • Computer aided materials design
  • Computational materials for stochastic electromagnets
  • Computational methods for thermal analysis of heterogeneous materials
  • Modelling of resistive bilayer structures
  • Modeling tunneling of superluminal photons through Brain Microtubules
  • Computer aided surgical workflow modeling
  • Displaced multiwavelets and splitting algorithms
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Table of Contents

Preface xiii

Part 1 Engineering of Materials, Characterizations, and Applications

1 Mechanical Behavior and Resistance of Structural Glass Beams in Lateral–Torsional Buckling (LTB) with Adhesive Joints 3
Chiara Bedon and Jan Belis

1.1 Introduction 4

1.2 Overview on Structural Glass Applications in Buildings 5

1.3 Glass Beams in LTB 5

1.3.1 Susceptibility of Glass Structural Elements to Buckling Phenomena 5

1.3.2 Mechanical and Geometrical Influencing Parameters in Structural Glass Beams 8

1.3.3 Mechanical Joints 9

1.3.4 Adhesive Joints 10

1.4 Theoretical Background for Structural Members in LTB 14

1.4.1 General LTB Method for Laterally Unrestrained (LU) Members 14

1.4.2 LTB Method for Laterally Unrestrained (LU) Glass Beams 17

1.4.2.1 Equivalent Thickness Methods for Laminated Glass Beams 18

1.4.3 Laterally Restrained (LR) Beams in LTB 23

1.4.3.1 Extended Literature Review on LR Beams 23

1.4.3.2 Closed-form Formulation for LR Beams in LTB 24

1.4.3.3 LR Glass Beams Under Positive Bending Moment My 28

1.5 Finite-element Numerical Modeling 31

1.5.1 FE Solving Approach and Parametric Study 32

1.5.1.1 Linear Eigenvalue Buckling Analyses (lba) 32

1.5.1.2 Incremental Nonlinear Analyses (inl) 35

1.6 LTB Design Recommendations 38

1.6.1 LR Beams Under Positive Bending Moment My 38

1.6.2 Further Extension and Developments of the Current Outcomes 39

1.7 Conclusions 42

References 44

2 Room Temperature Mechanosynthesis of Nanocrystalline Metal Carbides and Their Microstructure Characterization 49
S.K. Pradhan and H. Dutta

2.1 Introduction 50

2.1.1 Application 50

2.1.2 Different Methods for Preparation of Metal Carbide 50

2.1.3 Mechanical Alloying 51

2.1.4 Planetary Ball Mill 51

2.1.5 The Merits and Demerits of Planetary Ball Mill 52

2.1.6 Review of Works on Metal Carbides by Other Authors 53

2.1.7 Significance of the Study 54

2.1.8 Objectives of the Study 55

2.2 Experimental 56

2.3 Theoretical Consideration 58

2.3.1 Microstructure Evaluation by X-ray Diffraction 58

2.3.2 General Features of Structure 60

2.4 Results and Discussions 60

2.4.1 XRD Pattern Analysis 60

2.4.2 Variation of Mol Fraction 65

2.4.3 Phase Formation Mechanism 69

2.4.4 Is Ball-milled Prepared Metal Carbide Contains Contamination? 71

2.4.5 Variation of Particle Size 72

2.4.6 Variation of Strain 74

2.4.7 High-Resolution Transmission Electron Microscopy Study 76

2.4.8 Comparison Study between Binary and Ternary Ti-based Metal Carbides 76

2.5 Conclusion 80

Acknowledgment 80

References 80

3 Toward a Novel SMA-reinforced Laminated Glass Panel 87
Chiara Bedon and Filipe Amarante dos Santos

3.1 Introduction 87

3.2 Glass in Buildings 89

3.2.1 Actual Reinforcement Techniques for Structural Glass Applications 92

3.3 Structural Engineering Applications of Shape-Memory Alloys (SMAs) 93

3.4 The Novel SMA-Reinforced Laminated Glass Panel Concept 94

3.4.1 Design Concept 94

3.4.2 Exploratory Finite-Element (FE) Numerical Study 96

3.4.2.1 General FE Model Assembly Approach and Solving Method 96

3.4.2.2 Mechanical Characterization of Materials 98

3.5 Discussion of Parametric FE Results 101

3.5.1 Roof Glass Panel (M1) 101

3.5.1.1 Short-term Loads and Temperature Variations 102

3.5.1.2 First-cracking Configuration 106

3.5.2 Point-supported Façade Panel (M2) 109

3.5.2.1 Short-term Loads and Temperature Variations 111

3.6 Conclusions 114

References 117

4 Sustainable Sugarcane Bagasse Cellulose for Papermaking 121
Noé Aguilar-Rivera

4.1 Pulp and Paper Industry 122

4.2 Sugar Industry 123

4.3 Sugarcane Bagasse 124

4.4 Advantageous Utilizations of SCB 129

4.5 Applications of SCB Wastes 130

4.6 Problematic of Nonwood Fibers in Papermaking 131

4.7 SCB as Raw Material for Pulp and Paper 134

4.8 Digestion 135

4.9 Bleaching 135

4.10 Properties of Bagasse Pulps 136

4.10.1 Pulp Strength 137

4.10.2 Pulp Properties 137

4.10.3 Washing Technology 138

4.10.4 Paper Machine Operation 138

4.11 Objectives 138

4.12 Old Corrugated Container Pulps 139

4.13 Synergistic Delignification SCB–OCC 141

4.14 Elemental Chlorine-Free Bleaching of SCB Pulps 150

4.15 Conclusions 156

References 158

5 Bio-inspired Composites: Using Nature to Tackle Composite Limitations 165
F. Libonati

5.1 Introduction 166

5.2 Bio-inspiration: Bone as Biomimetic Model 169

5.3 Case Studies Using Biomimetic Approach 172

5.3.1 Fiber-reinforced Bone-inspired Composites 172

5.3.2 Fiber-reinforced Bone-inspired Composites with CNTs 176

5.3.3 Bone-inspired Composites via 3D Printing 177

5.4 Methods 179

5.4.1 Composite Lamination 180

5.4.2 Additive Manufacturing 181

5.4.3 Computational Modeling 182

5.5 Conclusions 183

References 185

Part 2 Computational Modeling of Materials

6 On the Electronic Structure and Band Gap of ZnSxSe1–x 193
Ghassan H. E. Al-Shabeeb and A. K. Arof

6.1 Introduction 193

6.2 Computational Method 194

6.3 The k·p Perturbation Theory with the Effect of Spin–Orbit Interaction 197

6.4 Results and Discussion 202

Acknowledgment 205

References 205

7 Application of First Principles Theory to the Design of Advanced Titanium Alloys 207
Y. Song, J. H. Dai, and R. Yang

7.1 Introduction 207

7.2 Basic Concepts of First Principles 208

7.3 Theoretical Models of Alloy Design 211

7.3.1 The Hume-Rothery Theory 211

7.3.2 Discrete Variational Method and d-Orbital Method 216

7.3.2.1 Discrete Variational Method 216

7.3.2.2 d-Electrons Alloy Theory 218

7.4 Applications 219

7.4.1 Phase Stability 219

7.4.1.1 Binary Alloy 219

7.4.1.2 Multicomponent Alloys 222

7.4.2 Elastic Properties 223

7.4.3 Examples 226

7.4.3.1 Gum Metal 226

7.4.3.2 Ti2448 (Ti–24Nb–4Zr–8Sn) 227

7.5 Conclusions 230

Acknowledgment 230

References 230

8 Digital Orchid: Creating Realistic Materials 233
Iftikhar B. Abbasov

8.1 Introduction 234

8.2 Conclusion 243

References 243

9 Transformation Optics-based Computational Materials for Stochastic Electromagnetics 245
Ozlem Ozgun and Mustafa Kuzuoglu

9.1 Introduction 246

9.2 Theory of Transformation Optics 249

9.3 Scattering from Rough Sea Surfaces 252

9.3.1 Numerical Validation and Monte Carlo Simulations 256

9.4 Scattering from Obstacles with Rough Surfaces or Shape Deformations 258

9.4.1 Numerical Validation and Monte Carlo Simulations 263

9.4.2 Combining Perturbation Theory and Transformation Optics for Weakly Perturbed Surfaces 264

9.5 Scattering from Randomly Positioned Array of Obstacles 268

9.5.1 Separate Transformation Media 269

9.5.1.1 Numerical Validation & Monte Carlo Simulations 271

9.5.2 A Single Transformation Medium 273

9.5.2.1 Numerical Validation & Monte Carlo Simulations 275

9.5.3 Recurring Scaling and Translation Transformations 276

9.5.3.1 Numerical Validation & Monte Carlo Simulations 278

9.6 Propagation in a Waveguide with Rough or Randomly Varying Surface 278

9.3.1 Numerical Validation and Monte Carlo

Simulations 283

9.7 Conclusion 287

References 288

10 Superluminal Photons Tunneling through Brain Microtubules Modeled as Metamaterials and Quantum Computation 291
Luigi Maxmilian Caligiuri and Takaaki Musha

10.1 Introduction 292

10.2 QED Coherence in Water: A Brief Overview 295

10.3 “Electronic” QED Coherence in Brain Microtubules 301

10.4 Evanescent Field of Coherent Photons and Their Superluminal Tunneling through MTs 305

10.5 Coupling between Nearby MTs and their Superluminal Interaction through the Exchange of Virtual Superradiant Photons 312

10.6 Discussion 316

10.7 Brain Microtubules as “Natural” Metamaterials and the Amplification of Evanescent Tunneling Wave Amplitude 319

10.8 Quantum Computation by Means of Superluminal Photons 325

10.9 Conclusions 329

References 330

11 Advanced Fundamental-solution-based Computational Methods for Thermal Analysis of Heterogeneous Materials 335
Hui Wang and Qing-Hua Qin

11.1 Introduction 336

11.2 Basic Formulation of MFS 338

11.2.1 Standard MFS 338

11.2.2 Modified MFS 340

11.2.2.1 RBF Interpolation for the Particular Solution 341

11.2.2.2 MFS for the Homogeneous Solution 342

11.2.2.3 Complete Solution 343

11.3 Basic Formulation of HFS-FEM 344

11.3.1 Problem Statement 344

11.3.2 Implementation of the HFS-FEM 346

11.3.4 Recovery of Rigid-body Motion 349

11.4 Applications in Functionally Graded Materials 349

11.4.1 Basic Equations in Functionally Graded Materials 349

11.4.2 MFS for Functionally Graded Materials 350

11.4.3 HFS-FEM for Functionally Graded Materials 353

11.5 Applications in Composite Materials 357

11.5.1 Basic Equations of Composite Materials 357

11.5.2 MFS for Composite Materials 360

11.5.2.1 MFS for the Matrix Domain 360

11.5.2.2 MFS for the Fiber Domain 360

11.5.2.3 Complete Linear Equation System 361

11.5.3 HFS-FEM for Composite Materials 362

11.5.3.1 Special Fundamental Solutions 362

11.5.3.2 Special n-Sided Fiber/Matrix Elements 363

11.6 Conclusions 365

Acknowledgments 366

Conflict of Interest 366

References 366

12 Understanding the SET/RESET Characteristics of Forming Free TiOx/TiO2–x Resistive-Switching Bilayer Structures through Experiments and Modeling 373
P. Bousoulas and D. Tsoukalas

12.1 Introduction 374

12.2 Experimental Methodology 376

12.3 Bipolar Switching Model 378

12.3.1 Resistive-Switching Performance 378

12.3.2 Resistive-Switching Model 383

12.4 RESET Simulations 389

12.4.1 I–V Response 389

12.4.2 Influence of TE on the CFs Broken Region 393

12.5 SET Simulations 398

12.6 Simulation of Time-dependent SET/RESET Processes 401

12.7 Conclusions 403

Acknowledgments 404

References 404

13 Advanced Materials and Three-dimensional Computer-aided Surgical Workflow in Cranio-maxillofacial Reconstruction 411
Luis Miguel Gonzalez-Perez, Borja Gonzalez-Perez-Somarriba Gabriel Centeno, Carpóforo Vallellano, and Juan Jose Egea-Guerrero

13.1 Introduction 412

13.2 Methodology 413

13.3 Findings 418

13.4 Discussion 427

References 436

14 Displaced Multiwavelets and Splitting Algorithms 439
Boris M. Shumilov

14.1 An Algorithm with Splitting of Wavelet Transformation of Splines of the First Degree 443

14.1.1 “Lazy” Wavelets 444

14.1.2 Examples of Wavelet Decomposition of a Signal of Length 8 447

14.1.3 “Orthonormal” Wavelets 450

14.1.4 An Example of Function of Harten 454

14.2 An Algorithm for Constructing Orthogonal to Polynomials Multiwavelet Bases 456

14.2.1 Creation of System of Basic Multiwavelets of Any Odd Degree on a Closed Interval 456

14.2.2 Creation of the Block of Filters 459

14.2.3 Example of Orthogonal to Polynomials Multiwavelet Bases 461

14.2.4 The Discussion of Approximation on a Closed Interval 463

14.3 The Tridiagonal Block Matrix Algorithm 464

14.3.1 Inverse of the Block of Filters 464

14.3.2 Example of the Hermite Quintic Spline Function Supported on [−1, 1] 465

14.3.3 Example of the Hermite Septimus Spline Function Supported on [−1, 1] 467

14.3.4 Numerical Example of Approximation of Polynomial Function 470

14.3.5 Numerical Example with Two Ruptures of the First Kind and a Corner 471

14.4 Problem of Optimization of Wavelet Transformation of Hermite Splines of Any Odd Degree 475

14.4.1 An Algorithm with Splitting for Wavelet Transformation of Hermite Splines of Fifth Degree 478

14.4.2 Examples 485

14.5 Application to Data Processing of Laser Scanning of Roads490

14.5.1 Calculation of Derivatives on Samples 490

14.5.2 Example of Wavelet Compression of One Track of Data of Laser Scanning 490

14.5.3 Modeling of Surfaces 490

14.5.4 Functions of a Package of Applied Programs for Modeling of Routes and Surfaces of Highways 492

14.6 Conclusions 494

References 494

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Author Information

Ashutosh Tiwari is Chairman and Managing Director of Tekidag AB; Group Leader, Advanced Materials and Biodevices at the world premier Biosensors and Bioelectronics Centre at IFM, Linköping University; Editor-in-Chief, Advanced Materials Letters and Advanced Materials Reviews; Secretary General, International Association of Advanced Materials; a materials chemist and docent in the Applied Physics with the specialization of Biosensors and Bioelectronics from Linköping University, Sweden. He has more than 400 publications in the field of materials science and nanotechnology with h-index of 30 and has edited/authored over 25 books on advanced materials and technology.

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