Metallic Glass-Based Nanocomposites: Molecular Dynamics Study of Properties, 1st Edition (Hardback) book cover

Metallic Glass-Based Nanocomposites

Molecular Dynamics Study of Properties, 1st Edition

Edited by Sumit Sharma

CRC Press

208 pages | 80 B/W Illus.

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Hardback: 9780367076702
pub: 2019-09-09
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Metallic Glass-Based Nanocomposites: Molecular Dynamics Study of Properties provides readers with an overview of the most commonly used tools for MD simulation of metallic glass composites and provides all the basic steps necessary for simulating any material on Materials Studio. After reading this book, readers will be able to model their own problems on this tool for predicting the properties of metallic glass composites.

This book provides an introduction to metallic glasses with definitions and classifications, provides detailed explanations of various types of composites, reinforcements and matrices, and explores the basic mechanisms of reinforcement-MG interaction during mechanical loading. It explains various models for calculating the thermal conductivity of metallic glass composites and provides examples of molecular dynamics simulations.

Aimed at students and researchers, this book caters to the needs of those working in the field of molecular dynamics (MD) simulation of metallic glass composites.

Table of Contents

Chapter 1 Introduction to Metallic Glasses

1.1 Introduction

1.2 Meaning of the term ‘X-ray amorphous’

1.3 X-ray diffraction machine

1.4 The Transmission Electron Microscope (TEM)

1.5 Scanning electron microscope

1.6 Energy dispersive spectroscopy (EDS) or Energy dispersive X-ray analysis (EDX)

1.7 The glass-transition temperature (Tg) and its measurement

1.7.1 Differential thermal analysis (DTA) and Differential scaaning calorimeter (DSC)

1.7.2 Thermogravimetric analysis

1.8 Types of glasses

1.9 Routes of synthesis of metallic glasses

1.9.1 The melt-quenching method

1.9.2 Splat quenching method

1.9.3 Pulsed laser quenching

1.9.4 Selective laser melting

1.9.5 Mega-plastic deformation

1.9.6 Powder metallurgy (spark plasma sintering)

1.10 Properties of metallic glasses

1.11 Applications of metallic glasses


Chapter 2 Metallic glass nanocomposites: Their properties and applications

2.1 Introduction

2.2 Natural composites

2.3 Structure of a composite

2.3.1 The matrix

2.3.2 The reinforcement phase

2.4 Nanocomposites

2.5 Applications of nanocomposite

2.6 Bulk metallic glass (BMG)-nanocomposites


Chapter 3 Molecular Modeling Of Metallic Glass And Their Nanocomposites

3.1 Introduction

3.2 MD simulation

3.2.1 Inter-atomic potential

3.2.2 MD simulation set-up

3.2.3 Thermal conductivity Thermal conductivity from MD Models to calculate thermal conductivity

3.3 Results and discussion

3.4 Conclusions


Chapter 4 Predicting Thermal Conductivity of Metallic Glasses and Their Nanocomposites

4.1 Introduction

4.2 Modeling of Metallic Glass and Their Nanocomposites

4.2.1 Simulation Strategy Geometry Optimization

4.3 BFGS geometry optimization

4.3.1 Constraints

4.3.2 Non-linear Constraints

4.3.3 Estimated Compressibility

4.3.4 TPSD Geometry Optimization

4.3.5 Damped Molecular Dynamics

4.3.6 Geometry Optimization

4.4 BFGS geometry optimization

4.4.1 Constraints Non-linear Constraints

4.4.2 Estimated Compressibility

4.4.3 TPSD Geometry Optimization

4.4.4 Damped Molecular Dynamics The Optimization Process

4.4.5 Thermal Conductivity

4.5 Prediction of Thermal Conductivity

4.5.1 Models for Predicting Thermal Conductivity

4.5.2 Parallel and series models Maxwell–Garnett model Lewis–Nielsen model Hamilton–Crosser model Deng model

4.6 Current trends and applications


Chapter 5 Study Of Damping Behavior Of Metallic Glass Composites At Nano-Scale Using Molecular Dynamics

5.1 Introduction

5.2 MD simulation

5.2.1 Inter-atomic potential

5.2.2 MD simulation set-up

5.3 Results and discussion

5.4 Conclusion


Chapter 6 MATLAB Programming of Properties of Metallic Glasses and Their Nanocomposites

6.1 Introduction

6.2 Metallic Glass

6.2.1 Nanocomposites

6.2.2 Mechanical Properties

6.2.3 Chemical properties

6.2.4 Magnetic Properties

6.3 Structure

6.3.1 Crystallization

6.3.2 Classification

6.4 Properties of Metallic Glasses (MGs), MG-composites and Nanocomposite (NC) materials

6.4.1 MGs

6.4.2 Deformation mechanisms

6.4.3 MG-composites

6.4.4 NC materials


About the Editor


Dr. Sumit Sharma is working as an Assistant Professor in the Department of Mechanical Engineering in Dr. B. R. Ambedkar National Institute of Technology (NIT) Jalandhar, Punjab. Before joining this institute, he was working as an Assistant Professor in the School of Mechanical Engineering in Lovely Professional University, Phagwara. He completed his Ph.D in Composite Materials from NIT Jalandhar in 2015. He did his M.Tech in Mechanical Engineering, also from NIT Jalandhar in 2010. He graduated in Mechanical Engineering (with honors) from Kurukshetra University in 2007.

Dr. Sumit Sharma is working in the area of Molecular Dynamics simulation of composites since the last 8 years. He has more than 30 research articles in reputed journals such as Computational Materials Science, Composites Part B, Composite Science and Technology, Journal of Composite Materials, JOM, IEEE etc. He is also the reviewer of various journals such as Computational Materials Science, Composites Part B, Composite Science and Technology, Computational Condensed Matter, Carbon etc. He is the member of ASTM society. He has published one other book on Molecular Dynamics Simulation of NanoComposites Using Biovia Materials Studio, LAMMPS and Gromacs.

His research interests include molecular dynamics, finite element modeling, strength of materials, materials science and engineering, fracture mechanics, mechanical vibrations and mechanics of composite materials.

Subject Categories

BISAC Subject Codes/Headings:
TECHNOLOGY & ENGINEERING / Chemical & Biochemical