Advanced engineering materials and modeling

Advanced Engineering Materials

and Modeling

Scrivener Publishing

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Advanced Materials Series

The Advanced Materials Series provides recent advancements of the fascinating

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Linköping University

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Publishers at Scrivener

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Advanced Engineering

Materials and Modeling

Edited by

Ashutosh Tiwari, N. Arul Murugan

and Rajeev Ahuja

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Cover design by Russell Richardson

Library of Congr ess Cataloging-in-Publication Data:

ISBN 978-1-119-24246-8

Printed in the United States of America

10 9 8 7 6 5 4 3 2 1

v

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 M

y

28

vi Contents

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 M

y

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

Contents vii

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

viii Contents

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 Calculation on the Ground State Quantum Potentials for the

ZnSx

Se1-x

(0 < x < 1) 193

G.H.E Alshabeeb and A.K. Arof

6.1 Introduction 193

6.2 Ground State in D-Dimensional Configuration Space

for ZnSx

Se1-x

Zincblende Structure 194

6.3 Ground States in the Case of Momentum Space 196

6.4 Results and Discussion 199

Contents ix

6.5 Conclusions 201

Acknowledgment 201

References 201

7 Application of First Principles Theory to the Design of

Advanced Titanium Alloys 203

Y. Song, J. H. Dai, and R. Yang

7.1 Introduction 203

7.2 Basic Concepts of First Principles 204

7.3 Theoretical Models of Alloy Design 207

7.3.1 The Hume-Rothery Theory 207

7.3.2 Discrete Variational Method and d-Orbital

Method 212

7.3.2.1 Discrete Variational Method 212

7.3.2.2 d-Electrons Alloy Theory 214

7.4 Applications 215

7.4.1 Phase Stability 215

7.4.1.1 Binary Alloy 215

7.4.1.2 Multicomponent Alloys 218

7.4.2 Elastic Properties 219

7.4.3 Examples 222

7.4.3.1 Gum Metal 222

7.4.3.2 Ti2448 (Ti–24Nb–4Zr–8Sn) 223

7.5 Conclusions 226

Acknowledgment 226

References 226

8 Digital Orchid: Creating Realistic Materials 229

Iftikhar B. Abbasov

8.1 Introduction 230

8.2 Concept Development 230

8.3 Three-dimensional Modeling of Decorative

Light Fixture 231

8.4 Materials Creating and Editing 232

8.5 Conclusion 239

References 240

9 Transformation Optics-based Computational Materials for

Stochastic Electromagnetics 241

Ozlem Ozgun and Mustafa Kuzuoglu

9.1 Introduction 242

9.2 Theory of Transformation Optics 245

x Contents

9.3 Scattering from Rough Sea Surfaces 248

9.3.1 Numerical Validation and Monte Carlo

Simulations 252

9.4 Scattering from Obstacles with Rough Surfaces or

Shape Deformations 254

9.4.1 Numerical Validation and Monte Carlo

Simulations 259

9.4.2 Combining Perturbation Theory and

Transformation Optics for Weakly Perturbed

Surfaces 260

9.5 Scattering from Randomly Positioned Array of Obstacles 264

9.5.1 Separate Transformation Media 265

9.5.1.1 Numerical Validation & Monte Carlo

Simulations 267

9.5.2 A Single Transformation Medium 269

9.5.2.1 Numerical Validation & Monte Carlo

Simulations 271

9.5.3 Recurring Scaling and Translation

Transformations 272

9.5.3.1 Numerical Validation & Monte Carlo

Simulations 274

9.6 Propagation in a Waveguide with Rough or

Randomly Varying Surface 274

9.6.1 Numerical Validation and Monte Carlo

Simulations 279

9.7 Conclusion 283

References 284

10 Superluminal Photons Tunneling through Brain Microtubules

Modeled as Metamaterials and Quantum Computation 287

Luigi Maxmilian Caligiuri and Takaaki Musha

10.1 Introduction 288

10.2 QED Coherence in Water: A Brief Overview 291

10.3 “Electronic” QED Coherence in Brain Microtubules 297

10.4 Evanescent Field of Coherent Photons and

Their Superluminal Tunneling through MTs 301

10.5 Coupling between Nearby MTs and their Superluminal

Interaction through the Exchange of Virtual

Superradiant Photons 308

10.6 Discussion 312

Contents xi

10.7 Brain Microtubules as “Natural” Metamaterials and

the Amplification of Evanescent Tunneling Wave

Amplitude 315

10.8 Quantum Computation by Means of Superluminal

Photons 321

10.9 Conclusions 325

References 326

11 Advanced Fundamental-solution-based Computational

Methods for Thermal Analysis of Heterogeneous Materials 331

Hui Wang and Qing-Hua Qin

11.1 Introduction 332

11.2 Basic Formulation of MFS 334

11.2.1 Standard MFS 334

11.2.2 Modified MFS 336

11.2.2.1 RBF Interpolation for the Particular

Solution 337

11.2.2.2 MFS for the Homogeneous Solution 338

11.2.2.3 Complete Solution 339

11.3 Basic Formulation of HFS-FEM 340

11.3.1 Problem Statement 340

11.3.2 Implementation of the HFS-FEM 342

11.3.4 Recovery of Rigid-body Motion 345

11.4 Applications in Functionally Graded Materials 345

11.4.1 Basic Equations in Functionally Graded

Materials 345

11.4.2 MFS for Functionally Graded Materials 346

11.4.3 HFS-FEM for Functionally Graded Materials 349

11.5 Applications in Composite Materials 353

11.5.1 Basic Equations of Composite Materials 353

11.5.2 MFS for Composite Materials 356

11.5.2.1 MFS for the Matrix Domain 356

11.5.2.2 MFS for the Fiber Domain 356

11.5.2.3 Complete Linear Equation System 357

11.5.3 HFS-FEM for Composite Materials 358

11.5.3.1 Special Fundamental Solutions 358

11.5.3.2 Special n-Sided Fiber/Matrix

Elements 359

11.6 Conclusions 361

Acknowledgments 362

Conflict of Interest 362

References 362

12 Understanding the SET/RESET Characteristics of Forming

Free TiOx

/TiO2–x

Resistive-Switching Bilayer Structures

through Experiments and Modeling 369

P. Bousoulas and D. Tsoukalas

12.1 Introduction 370

12.2 Experimental Methodology 372

12.3 Bipolar Switching Model 376

12.3.1 Resistive-Switching Performance 376

12.3.2 Resistive-Switching Model 379

12.4 RESET Simulations 385

12.4.1 I–V Response 385

12.4.2 Influence of TE on the CFs Broken Region 389

12.5 SET Simulations 394

12.6 Simulation of Time-dependent SET/RESET Processes 397

12.7 Conclusions 399

Acknowledgments 400

References 400

13 Advanced Materials and Three-dimensional Computer-aided

Surgical Workflow in Cranio-maxillofacial Reconstruction 407

Luis Miguel Gonzalez-Perez, Borja Gonzalez-Perez-Somarriba

Gabriel Centeno, Carpóforo Vallellano and

Juan Jose Egea-Guerrero

13.1 Introduction 408

13.2 Methodology 409

13.3 Findings 414

13.4 Discussion 423

References 432

14 Displaced Multiwavelets and Splitting Algorithms 435

Boris M. Shumilov

14.1 An Algorithm with Splitting of Wavelet

Transformation of Splines of the First Degree 439

14.1.1 “Lazy” Wavelets 440

14.1.2 Examples of Wavelet Decomposition

of a Signal of Length 8 443

xii Contents

Contents xiii

14.1.3 “Orthonormal” Wavelets 446

14.1.4 An Example of Function of Harten 450

14.2 An Algorithm for Constructing Orthogonal to

Polynomials Multiwavelet Bases 452

14.2.1 Creation of System of Basic Multiwavelets

of Any Odd Degree on a Closed Interval 452

14.2.2 Creation of the Block of Filters 455

14.2.3 Example of Orthogonal to Polynomials

Multiwavelet Bases 457

14.2.4 The Discussion of Approximation on a Closed

Interval 459

14.3 The Tridiagonal Block Matrix Algorithm 460

14.3.1 Inverse of the Block of Filters 460

14.3.2 Example of the Hermite Quintic Spline

Function Supported on [−1, 1] 461

14.3.3 Example of the Hermite Septimus Spline

Function Supported on [−1, 1] 463

14.3.4 Numerical Example of Approximation

of Polynomial Function 466

14.3.5 Numerical Example with Two Ruptures

of the First Kind and a Corner 467

14.4 Problem of Optimization of Wavelet Transformation

of Hermite Splines of Any Odd Degree 471

14.4.1 An Algorithm with Splitting for Wavelet

Transformation of Hermite Splines of

Fifth Degree 474

14.4.2 Examples 481

14.5 Application to Data Processing of Laser Scanning

of Roads 486

14.5.1 Calculation of Derivatives on Samples 486

14.5.2 Example of Wavelet Compression of

One Track of Data of Laser Scanning 486

14.5.3 Modeling of Surfaces 486

14.5.4 Functions of a Package of Applied Programs for

Modeling of Routes and Surfaces of Highways 488

14.6 Conclusions 490

References 490

Index 495

Preface

The engineering of materials with advanced features is driving the research

towards the design of innovative high-performance materials. New mate￾rials often deliver the best solutions for structural applications, precisely

contributing to the finest combination of mechanical properties and low

weight. Furthermore, these materials mimic the principles of nature, lead￾ing to a new class of structural materials which include biomimetic com￾posites, natural hierarchical materials and smart materials. Meanwhile,

computational modeling approaches are valuable tools which are com￾plementary to experimental techniques and provide significant informa￾tion at the microscopic level and explain the properties of materials and

their existence itself. The modeling further provides useful insight to

propose possible strategies to design and fabricate materials with novel

and improved properties. Depending upon the pragmatic computational

models of choice, approaches vary for the prediction of the structure- and

element-based approaches to fabricate materials with properties of inter￾est. This book brings together the engineering materials and modeling

approaches generally used in structural materials science.

Research topics on materials engineering, characterization, applications

and their computational modeling are covered in this book. In general,

computational modeling approaches are routinely used as cost-effective

and complementary tools to get information about the materials at the

microscopic level and to explain their electronic and magnetic proper￾ties and the way they respond to external parameters like temperature and

pressure. In addition, modeling provides useful insight into the construct

of design principles and strategies to fabricate materials with novel and

improved properties. The use of modeling together with experimental vali￾dation opens up the possibility for designing extremely useful materials

that are relevant for various industries and healthcare sectors. This book

has been designed in such a way as to cover aspects of both the use of

experimental and computational approaches for materials engineering and

fabrication. Chapters 1 through 6 are devoted to experimental character￾ization of materials and some of their applications relevant to the paper

xv