Table of Contents
Cover
Series page
Title
Copyright
Preface
Dedication
List of Contributors
I Introduction
1 Modern Trends in Advanced Ceramics
1.1 Advanced Ceramics
1.2 Conventional Synthesis and Processing of Advanced Ceramics
1.3 Molecular Routes for the Synthesis and Processing of Advanced Ceramics
1.4 Methods for Characterization of Advanced Ceramic Materials
1.5 Applications of Advanced Ceramics
1.6 Outlook
References
II Structure of Ceramic Materials: Atomic Level
2 Modeling Amorphous Ceramic Structures
2.1 Introduction
2.2 Computational Approach
2.3 Results
2.4 Summary and Conclusions
Acknowledgments
References
3 Structural Chemistry of Ceramics
3.1 Introduction
3.2 Crystal Chemistry of Binary Oxides
3.3 Complex Oxide Structures
3.4 Nitrides and Related Materials
References
4 Diffusion in Ceramics
4.1 General Introduction
4.2 Simple Oxides
4.3 Diffusion in Complex Oxides
4.4 Diffusion in Non-Oxide Ceramics
References
5 Structures of Ceramic Materials: Thermodynamics and Constitution
5.1 Introduction
5.2 Experimental Phase Studies
5.3 Methods of Computational Thermodynamics
5.4 Case Studies
References
III Structures of Ceramic Materials: Microstructural Level
6 Microstructural Design of Ceramics: Theory and Experiment
6.1 Overview
6.2 An Introduction to Ceramics
6.3 Determinants of Ceramic Microstructure
6.4 Factors in Microstructural Design
6.5 Amorphous Phases in Ceramics
6.6 Silicon Nitride Ceramics: A Model System
6.7 Theory and Modeling of Ceramics
6.8 A Case Study in Theory and Modeling: Intergranular Films in Silicon Nitride
6.9 Outlook
Acknowledgments
References
7 Mesoscopic Ceramic Structures in One, Two, and Three Dimensions
7.1 Ceramics at the Mesoscale
7.2 Synthetic Routes to Mesoscaled Ceramic Structures
7.3 One-Dimensional (1-D) Ceramic Structures
7.4 Two-Dimensional (2-D) Ceramic Structures
7.5 Three-Dimensional (3-D) Ceramic Structures
References
8 Bulk Ceramic Nanostructures
8.1 Introduction
8.2 Materials and Related Nanocomposites
8.3 Formation of Nanoinclusions
8.4 Materials Preparation
8.5 Properties of Ceramic Nanocomposites
8.6 High-Temperature Properties
8.7 Electrical Properties
References
9 Glass Ceramics: Silica- and Alumina-Based
9.1 Introduction
9.2 Theory of Nucleation and Crystal Growth
9.3 Glass Ceramics with Low Thermal Expansion Coefficients
9.4 Glass Ceramics for Mechanical Applications
9.5 Bioglass Ceramics
9.6 Oriented Glass Ceramics
9.7 Nano Glass Ceramics
References
10 Cellular Structures
10.1 Introduction
10.2 Structure
10.3 Properties
10.4 Fabrication Methods
10.5 Applications
10.6 Summary
References
11 Ceramic Thin Films
11.1 Introduction
11.2 Fundamentals of the Chemical Solution Deposition Process
11.3 Structure–Property Relationships
11.4 The Application of CSD-Derived Ceramic Films
11.5 Conclusions
Acknowledgments
References
12 Multiphase Fiber Composites
12.1 Introductory Remarks
12.2 Fibers for Ceramic Composites
12.3 Processes to Fabricate Ceramic Fiber Composites
12.4 Non-Brittle Composites and Associated Mechanisms
12.5 Properties of Ceramic Fiber Composites
12.6 Applications of Ceramic Fiber Composites
References
Index
End User License Agreement
List of Tables
1 Modern Trends in Advanced Ceramics
Table 1.1 Reaction systems for chemical vapor deposition (CVD) of ceramic compounds.
Table 1.2 Temperature-dependent thermodynamic data of the reaction system AlCl
3
/NH
3
.
Table 1.3 Metal alkoxides for the production of oxidic ceramics.
2 Modeling Amorphous Ceramic Structures
Table 2.1 Distance matrix
for the equilibrium bond distance. All values are given in pm.
Table 2.2 The values of bond stretch force constants a
ij.
All values are given in units of 3/16 × 10
−4
eV pm
−2
.
Table 2.3 β and
v
The values of the bond bending force constants β
i
(in units of 3/8 × 10
−4
eV pm
−2
together with the equilibrium bond angle on each site,
.
Table 2.4 Matrix for the critical radii
(in pm). For γ, use 3.0×10
−6
eV pm
−3
.
Table 2.5 Comparison of energy and volume calculated by the empirical potential and by density functional methods (GGA) for selected models of SiO
2
with different size. The energy is given in eV per SiO
2
relative to the ground state energy of a-quartz; the volume is given in Å
3
.
Table 2.6 Energy (in eV per SiO) and volume (in Å
3
) calculated of a-quartz and 11 models of amorphous SiO
2
with 108 atoms in the simulation box. The energy is given relative to the ground state energy of a-quartz.
Table 2.7 Energy and volumes of several models of a-Si
3
N
4
consisting of 112 atoms.
V
emp
and
E
emp
are volume and energy of the network model that is used as start geometry for the subsequent DFT calculations.
is the energy of this geometry within DFT.
and
are volume and energy of the DFT-relaxed network model.
E
gain
is the gain in energy during the structural relaxation. All energies are in eV, volumes are in Å
3
. DFT results refer to LDA calculations. As a reference: the DFT energy of a model of β-Si
3
N
4
with 112 atoms is –1017.4 eV.
Table 2.8 Evolution of energy (in eV) and volume (in Å
3
) of several models of a-Si
3
N
4
.
is the excess energy in eV/Si
3
N
4
with reference to the crystal structure of β-Si
3
N
4
. ρ is the density of the model. All models exhibit perfect chemical order (only Si–N bonds) after annealing at 1600 or 2000°C.
Table 2.9 Results for network models with composition Si
40
C
40
N
40
and Si
80
C
80
N
80
and different densities. The first column reports the amount of sp
3
-C in the initial empirical network,
E
emp
and
V
emp
(throughout in eV and Å
3
, respectively) the corresponding energy and volume calculated by the empirical potential.
and
are the energy and volume of the network model obtained after relaxation using DFT methods. The last three columns list the amount of sp
3
-C, energy, and volume of the optimum SiCN structures received after extensive
ab initio
MD simulations.
3 Structural Chemistry of Ceramics
Table 3.1 CrystalIographic data of ceramic materials.
4 Diffusion in Ceramics
Table 4.1 Results of Arrhenius fit of diffusion in YSZ and CSZ for the systems shown in Figure 4.2.
Table 4.2 Parameters for cation self-diffusion of the indicated elements in various stabilized zirconias.
Table 4.3 Parameters for cation grain boundary diffusion of the indicated elements in various stabilized zirconias.
Table 4.4 Parameters for bulk diffusion of the indicated elements in aluminas of the indicated doping level. Note that undoped in each case means “nominally undoped”
Table 4.5 Parameters for bulk diffusion of the indicated elements in ZnO.
Table 4.6 Calculated activation energies in perovskites in eV.
Table 4.7 Cation volume diffusivities for titanate perovskites from experiments.
Table 4.8 Cation volume diffusivities for LnMO
3
perovskites from experiments. To calculate
D(T)
from solid-state reaction data, temperature-dependent activities must also be included (see text).
Table 4.9 Oxygen vacancy diffusivities for titanate perovs kites from experiments.
Table 4.10 Oxygen tracer diffusivities for titanate perovskites from experiments.
Table 4.11 Oxygen vacancy diffusivities for LnMO
3
perovskites from experiments.
Table 4.12 Oxygen tracer diffusivities for LnMO
3
perovskites from experiments. All experiments were performed using the IEDP technique and polycrystalline samples, except for Belzner
et al
. (D calculated from chemical diffusion data obtained via the potentiostatic step method), Ishigaki et al. (single crystals, IEDP, gas-phase analysis, thermogravimetry), Kim et al. (polycrystals, IEDP, gas-phase analysis), and Petitjean
et al.
(polycrystalline films on YSZ, IEDP, impedance spectroscopy).
Table 4.13 Diffusion parameters for SiC.
Table 4.14 Diffusion parameters for crystalline and amorphous silicon nitride.
Table 4.15 Diffusion parameters for transition metal nitrides.
Table 4.16 Diffusion parameters for amorphous silicon carbonitride.
Table 4.17 Diffusion parameters for hydrogen in crystalline and amorphous SiC, SiN
x
, and SiC
x
N
y
.
Table 4.18 Diffusion parameters for polycrystalline transition metal borides.
5 Structures of Ceramic Materials: Thermodynamics and Constitution
Table 5.1. Experimental and calculated thermodynamic data for the La
2
O
3
–Ga
2
O
3
system.
7 Mesoscopic Ceramic Structures in One, Two, and Three Dimensions
Table 7.1 Synthetic routes, application perspectives and properties of mesostructured 1-D-ZnO.
Table 7.2 Compilation of main group and transition element-based 1-D nanorod ceramics and their various applications (non- Si-, C-, N-, B- containing).
Table 7.3 Compilation of single-phase thin films prepared via condensed phase techniques.
Table 7.4 Compilation of mixed multinary thin films prepared via condensed phase techniques.
9 Glass Ceramics: Silica- and Alumina-Based
Table 9.1 Thermal expansion coefficients of compositions of the high-quartz or keatite type [49].
Table 9.2 Typical chemical compositions of low-expansion glass ceramics [49].
Table 9.3 Mechanical strength of extruded glass ceramics [131,89].
10 Cellular Structures
Table 10.1 Typical properties of cellular ceramics.
Table 10.2 Processing methods for the production of cellular ceramics.
Table 10.3 Engineering applications of ceramic foams.
11 Ceramic Thin Films
Table 11.1 Dielectric properties (1 MHz) of pure and heterostructured MgO:BSTthin films measured at room temperature.
Table 11.2 Phase shifter characteristics of BST 50 and MgO:BST heterostructured thin films.
Table 11.3 Curie
–
Weiss fitted parameters for undoped BST 50, 3.0atom% Mn-doped BST 50, and Mn graded-doped BST 50 thin films.
Table 11.4 Comparison of D
Li
(×10
−12
cm
2
s
−1
) in various forms of virgin LiMn
2
O
4
cathodes.
12 Multiphase Fiber Composites
Table 12.1 Important properties of selected ceramic fibers [8,55,144].
Table 12.2 Classification and properties of carbon fibers derived from polyacrylonitrile (PAN).
Table 12.3 Classification of weak interface composite (WIC) and weak matrix composite (WMC) materials.
Table 12.4. Common ceramic protective materials. Source: Ceradyne, Inc. [80].