Advanced Engineering Materials and Modeling Scrivener Publishing 100 Cummings Center, Suite 541J Beverly, MA 01915-6106 Advanced Materials Series The Advanced Materials Series provides recent advancements of the fascinating field of advanced materials science and technology, particularly in the area of structure, synthesis and processing, characterization, advanced-state properties, and applications. The volumes will cover theoretical and experimental approaches of molecular device materials, biomimetic materials, h ybrid-type composite materials, functionalized polymers, supramolecular systems, information- and energy-transfer materials, biobased and biodegradable or environmental friendly materials. Each volume will be devoted to one broad subject and the multidisciplinary aspects will be drawn out in full. 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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 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 M echanical 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 28 y v 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 38 y 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 H igh-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 S tructural 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 F iber-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 ZnS Se (0 < x < 1) 193 x 1-x G.H.E Alshabeeb and A.K. Arof 6.1 Introduction 193 6.2 Ground State in D-Dimensional Configuration Space for ZnS Se Zincblende Structure 194 x 1-x 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 Methodandd-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 Th ree-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