Advanced Engineering Materials and Modeling

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 Facade 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 Noe 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, Carpoforo 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