↓ Skip to main content

Handbook of Materials Modeling

Overview of attention for book
Cover of 'Handbook of Materials Modeling'

Table of Contents

  1. Altmetric Badge
    Book Overview
  2. Altmetric Badge
    Chapter 1 A Decade of Computational Surface Catalysis
  3. Altmetric Badge
    Chapter 2 Energy Trends in Adsorption at Surfaces
  4. Altmetric Badge
    Chapter 3 Oxide Catalysts
  5. Altmetric Badge
    Chapter 4 Supercell Models of Brønsted and Lewis Sites in Zeolites
  6. Altmetric Badge
    Chapter 5 Microkinetic Modeling of Surface Catalysis
  7. Altmetric Badge
    Chapter 6 Computational Fluid Dynamics of Catalytic Reactors
  8. Altmetric Badge
    Chapter 7 Structure of Electrode-Electrolyte Interfaces, Modeling of Double Layer and Electrode Potential
  9. Altmetric Badge
    Chapter 8 Fundamental Atomic Insight in Electrocatalysis
  10. Altmetric Badge
    Chapter 9 Electrocatalysis Beyond the Computational Hydrogen Electrode
  11. Altmetric Badge
    Chapter 10 Thermal Transport by First-Principles Anharmonic Lattice Dynamics
  12. Altmetric Badge
    Chapter 11 On the Kinetic Theory of Thermal Transport in Crystals
  13. Altmetric Badge
    Chapter 12 Heat Transport in Insulators from Ab Initio Green-Kubo Theory
  14. Altmetric Badge
    Chapter 13 A Statistical Approach of Thermal Transport at Nanoscales: From Solid-State to Biological Applications
  15. Altmetric Badge
    Chapter 14 Energy Relaxation and Thermal Transport in Molecules
  16. Altmetric Badge
    Chapter 15 Lattice Thermal Boundary Resistance
  17. Altmetric Badge
    Chapter 16 Thermal Conductivity of Nanostructured Semiconductor Alloys
  18. Altmetric Badge
    Chapter 17 Resonant Thermal Transport in Nanophononic Metamaterials
  19. Altmetric Badge
    Chapter 18 The Industrial Impact of Materials Modelling
  20. Altmetric Badge
    Chapter 19 Modeling Disordered and Nanostructured Graphene
  21. Altmetric Badge
    Chapter 20 Titania and Its Outstanding Properties: Insights from First Principles Calculations
  22. Altmetric Badge
    Chapter 21 Understanding Novel Superconductors with Ab Initio Calculations
  23. Altmetric Badge
    Chapter 23 Hybrid Halide Perovskites: Fundamental Theory and Materials Design
  24. Altmetric Badge
    Chapter 25 Prototyping Ultrafast Charge Separation by Means of Time-Dependent Density Functional Methods
  25. Altmetric Badge
    Chapter 31 Modeling of Heat Transport in Polymers and Their Nanocomposites
  26. Altmetric Badge
    Chapter 32 Interaction of Hydrogen with Graphitic Surfaces, Clean and Doped with Metal Clusters
  27. Altmetric Badge
    Chapter 34 Functionalizing Two-Dimensional Materials for Energy Applications
  28. Altmetric Badge
    Chapter 36 Spins in Semiconductor Nanocrystals
  29. Altmetric Badge
    Chapter 37 Excited-State Properties of Thin Silicon Nanowires
  30. Altmetric Badge
    Chapter 38 Interlayer Interactions in Low-Dimensional Layered Hetero-structures: Modeling and Applications
  31. Altmetric Badge
    Chapter 40 Emergence of Functionalized Properties in Semiconductor Nanostructures
  32. Altmetric Badge
    Chapter 41 Electronic Structure of Atomically Precise Graphene Nanoribbons
  33. Altmetric Badge
    Chapter 42 Nanomechanics of Materials: Overview
  34. Altmetric Badge
    Chapter 43 First-Principles Modeling of Intrinsic Materials Strength
  35. Altmetric Badge
    Chapter 44 Mechanics and Electromechanics of Two-Dimensional Atomic Membranes
  36. Altmetric Badge
    Chapter 45 Modelling of Defects and Failure in 2D Materials: Graphene and Beyond
  37. Altmetric Badge
    Chapter 46 Atomistic Simulations of Fracture and Fatigue in Nanotwinned and Amorphous Materials
  38. Altmetric Badge
    Chapter 48 Surface Energy and Nanoscale Mechanics
  39. Altmetric Badge
    Chapter 50 Challenges and Opportunities in Modeling Oxides for Energy and Information Devices
  40. Altmetric Badge
    Chapter 51 Design of New Multiferroic Oxides
  41. Altmetric Badge
    Chapter 52 Small Polarons in Transition Metal Oxides
  42. Altmetric Badge
    Chapter 54 Transport in Frustrated and Disordered Solid Electrolytes
  43. Altmetric Badge
    Chapter 57 Defect Equilibria and Kinetics in Crystalline Insulating Oxides: Bulk and Hetero-interfaces
  44. Altmetric Badge
    Chapter 58 First-Principles Modeling of Interface Effects in Oxides
  45. Altmetric Badge
    Chapter 60 Strain Control of Domain Structures in Ferroelectric Thin Films: Applications of Phase-Field Method
  46. Altmetric Badge
    Chapter 62 Multiscale Modeling of Diseases: Overview
  47. Altmetric Badge
    Chapter 63 Continuum- and Particle-Based Modeling of Human Red Blood Cells
  48. Altmetric Badge
    Chapter 64 Particle-Based Methods for Mesoscopic Transport Processes
  49. Altmetric Badge
    Chapter 65 Domain Decomposition Methods for Multiscale Modeling
  50. Altmetric Badge
    Chapter 66 Multiscale Modeling of Malaria-Infected Red Blood Cells
  51. Altmetric Badge
    Chapter 67 Multiscale Modeling of Sickle Cell Anemia
  52. Altmetric Badge
    Chapter 68 Computational Models of Eukaryotic Cells in Health and Disease
  53. Altmetric Badge
    Chapter 69 Multiscale Modeling of Blood Flow-Mediated Platelet Thrombosis
  54. Altmetric Badge
    Chapter 70 CALYPSO Method for Structure Prediction and Its Applications to Materials Discovery
  55. Altmetric Badge
    Chapter 71 Multi-objective Optimization as a Tool for Material Design
  56. Altmetric Badge
    Chapter 72 First-Principles-Assisted Structure Solution: Leveraging Density Functional Theory to Solve Experimentally Observed Crystal Structures
  57. Altmetric Badge
    Chapter 73 Adaptive Genetic Algorithm for Structure Prediction and Application to Magnetic Materials
  58. Altmetric Badge
    Chapter 74 Computational Modeling and the Design of Perovskite Solar Cells
  59. Altmetric Badge
    Chapter 75 Stochastic Surface Walking Method and Applications to Real Materials
  60. Altmetric Badge
    Chapter 77 Minima Hopping Method for Predicting Complex Structures and Chemical Reaction Pathways
  61. Altmetric Badge
    Chapter 79 Defects in Oxides in Electronic Devices
  62. Altmetric Badge
    Chapter 80 Oxide Heterostructures from a Realistic Many-Body Perspective
  63. Altmetric Badge
    Chapter 81 Multiscale Modeling of Structural Materials: Chemistry and Mechanical Performance
  64. Altmetric Badge
    Chapter 82 Silk-Based Hierarchical Materials for High Mechanical Performance at the Interface of Modeling, Synthesis, and Characterization
  65. Altmetric Badge
    Chapter 83 Silica Aerogels: A Review of Molecular Dynamics Modelling and Characterization of the Structural, Thermal, and Mechanical Properties
  66. Altmetric Badge
    Chapter 84 Multiscale Modeling of Cohesive-Frictional Strength Properties in Cementitious Materials
  67. Altmetric Badge
    Chapter 85 Simple Asphaltene Thermodynamics, Oilfield Reservoir Evaluation, and Reservoir Fluid Geodynamics
  68. Altmetric Badge
    Chapter 87 Multiscale Modeling of Lignocellulosic Biomass
  69. Altmetric Badge
    Chapter 88 Toughening and Strengthening Mechanisms in Bamboo from Atoms to Fibers
  70. Altmetric Badge
    Chapter 96 Battery Electrodes, Electrolytes, and Their Interfaces
  71. Altmetric Badge
    Chapter 98 Cluster-Guided Multiscale Lung Modeling via Machine Learning
  72. Altmetric Badge
    Chapter 99 Modeling of Glasses: An Overview
  73. Altmetric Badge
    Chapter 100 Mechanical and Compositional Design of High-Strength Corning Gorilla® Glass
  74. Altmetric Badge
    Chapter 101 Design and Modeling of High-Strength, High-Transmission Auto Glass with High Sound Transmission Loss
  75. Altmetric Badge
    Chapter 102 Fundamentals of Organic-Glass Adhesion
  76. Altmetric Badge
    Chapter 103 Constitutive Modeling in Metallic Glasses for Predictions and Designs
  77. Altmetric Badge
    Chapter 104 Applications of Multi-scale Modeling to Spin Dynamics in Spintronics Devices
  78. Altmetric Badge
    Chapter 106 Ultra-fast Dynamics for Heat-Assisted Magnetic Recording
  79. Altmetric Badge
    Chapter 108 Machine Learning and High-Throughput Approaches to Magnetism
  80. Altmetric Badge
    Chapter 109 Magnetic Impurities on Surfaces: Kondo and Inelastic Scattering
  81. Altmetric Badge
    Chapter 112 First-Principles Quantum Transport Modeling of Spin-Transfer and Spin-Orbit Torques in Magnetic Multilayers
  82. Altmetric Badge
    Chapter 113 Multiferroic and Ferroelectric Rashba Semiconductors
  83. Altmetric Badge
    Chapter 114 Mesoscopic Modelling of Irradiation Damage Processes: Bridging Many-Body Mechanics and Thermodynamics in Rate Processes
  84. Altmetric Badge
    Chapter 115 More Efficient and Accurate Simulations of Primary Radiation Damage in Materials with Nanosized Microstructural Features or Ion Beams
  85. Altmetric Badge
    Chapter 116 Titanium Alloys: From Properties Prediction to Performance Optimization
  86. Altmetric Badge
    Chapter 117 Density Functional Theory Calculations Applied to Nuclear Fuels
  87. Altmetric Badge
    Chapter 118 Interatomic Potentials for Nuclear Materials
  88. Altmetric Badge
    Chapter 119 Molecular Dynamics Simulations of Non-equilibrium Systems
  89. Altmetric Badge
    Chapter 120 Kinetic Monte Carlo Algorithms for Nuclear Materials Applications
  90. Altmetric Badge
    Chapter 121 Discrete Dislocation Dynamics Simulations of Irradiation Hardening in Nuclear Materials
  91. Altmetric Badge
    Chapter 122 Rate Theory of Radiation Damage
  92. Altmetric Badge
    Chapter 124 Thermodynamic Modeling of Nuclear Fuel Materials
  93. Altmetric Badge
    Chapter 125 In Situ AFM Investigations and Fracture Mechanics Modeling of Slow Fracture Propagation in Oxide and Polymer Glasses
  94. Altmetric Badge
    Chapter 126 Modeling the Structural Development and the Mechanics of Complex Soft Materials: Overview
  95. Altmetric Badge
    Chapter 127 Mesoscale Structure and Mechanics of C-S-H
  96. Altmetric Badge
    Chapter 128 Nanoscale Composition-Texture-Property Relation in Calcium-Silicate-Hydrates
  97. Altmetric Badge
    Chapter 129 Mechanics of Soft Gels: Linear and Nonlinear Response
  98. Altmetric Badge
    Chapter 130 From Microscopic Insight to Constitutive Models: Bridging Length Scales in Soft and Hard Materials
  99. Altmetric Badge
    Chapter 131 Multiphysics Modeling of Nuclear Materials
  100. Altmetric Badge
    Chapter 132 Solid Oxide Fuel Cell Materials and Interfaces
  101. Altmetric Badge
    Chapter 133 Phase-Field Modeling of Microstructure Evolution in Nuclear Materials
  102. Altmetric Badge
    Chapter 135 Incorporating Electronic Effects in Molecular Dynamics Simulations of Neutron and Ion-Induced Collision Cascades
  103. Altmetric Badge
    Chapter 136 Atomistic Kinetic Monte Carlo and Solute Effects
  104. Altmetric Badge
    Chapter 137 DFT-Parameterized Object Kinetic Monte Carlo Simulations of Radiation Damage
  105. Altmetric Badge
    Chapter 138 Rate Theory: Cluster Dynamics, Grouping Methods, and Best Practices
  106. Altmetric Badge
    Chapter 139 Experimental Validation of Models: In Situ TEM for Radiation Damage
  107. Altmetric Badge
    Chapter 140 Modeling Radiation-Induced Segregation and Precipitation: Contributions and Future Perspectives from Artificial Neural Networks
  108. Altmetric Badge
    Chapter 142 Low-dimensional materials at the nanoscale: Overview
  109. Altmetric Badge
    Chapter 143 Photovoltaics: Advances in First Principles Modeling – Overview
  110. Altmetric Badge
    Chapter 144 Applications of Materials Modeling to Magnetism, Magnetic Materials, and Spintronics: Overview
  111. Altmetric Badge
    Chapter 145 Thermal Transport: Overview
  112. Altmetric Badge
    Chapter 146 Modeling of Radiation Damage in Materials: Best Practices and Future Directions
  113. Altmetric Badge
    Chapter 147 Atomistic Spin Dynamics
  114. Altmetric Badge
    Chapter 148 Quantitative Rheological Model for Granular Materials: The Importance of Particle Size
  115. Altmetric Badge
    Chapter 149 Mesoscale Mechanisms of Cement Hydration: BNG Model and Particle Simulations
  116. Altmetric Badge
    Chapter 150 Long Time-Scale Atomistic Modeling and Simulation of Deformation and Flow in Solids
  117. Altmetric Badge
    Chapter 151 Quantized Dislocations for Functional and Quantum Materials
  118. Altmetric Badge
    Chapter 152 A Decade of Nuclear Materials Modeling: Status and Challenges
  119. Altmetric Badge
    Chapter 153 Computational Crystal Structure Prediction: An Introduction
  120. Altmetric Badge
    Chapter 154 Applications of Materials Modeling and Simulation: An Introduction
  121. Altmetric Badge
    Chapter 155 Plenary Topics: An Introduction
Overall attention for this book and its chapters
Altmetric Badge

Mentioned by

twitter
5 X users
facebook
1 Facebook page
wikipedia
1 Wikipedia page

Citations

dimensions_citation
2 Dimensions

Readers on

mendeley
23 Mendeley
You are seeing a free-to-access but limited selection of the activity Altmetric has collected about this research output. Click here to find out more.
Title
Handbook of Materials Modeling
Published by
Springer International Publishing, March 2020
DOI 10.1007/978-3-319-44680-6
ISBNs
978-3-31-944679-0, 978-3-31-944680-6
Editors

Andreoni, Wanda, Yip, Sidney

X Demographics

X Demographics

The data shown below were collected from the profiles of 5 X users who shared this research output. Click here to find out more about how the information was compiled.
Mendeley readers

Mendeley readers

The data shown below were compiled from readership statistics for 23 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
Unknown 23 100%

Demographic breakdown

Readers by professional status Count As %
Student > Ph. D. Student 7 30%
Student > Master 4 17%
Student > Doctoral Student 2 9%
Student > Bachelor 1 4%
Other 1 4%
Other 3 13%
Unknown 5 22%
Readers by discipline Count As %
Engineering 7 30%
Materials Science 4 17%
Physics and Astronomy 1 4%
Chemical Engineering 1 4%
Agricultural and Biological Sciences 1 4%
Other 1 4%
Unknown 8 35%