Chapter 1 Atomistic to Continuum Modeling of DNA Molecules
1.1 Introduction
1.2 Statistical models for DNAs -- polymer elasticity
1.2.1 The freely jointed chain (FJC) model
1.2.2 The worm-like chain (WLC) model
1.2.3 Beyond the entropic regime
1.2.4 Long-range electrostatic effects
1.3 Atomistic modeling of DNA molecules
1.3.1 MD basic theory
1.3.2 Force fields for nucleic acids
1.3.3 Limitations and challenges
1.3.4 MD simulation of DNA stretching
1.4 Continuum DNA models
1.4.1 Kirchhoff's elastic Rod model for DNAs
1.4.2 Finite element (FE) analysis, of DNAs
1.4.3 Director field method for modeling of DNA viral packaging
1.5 Multiscale homogenization for simulation of DNA molecules
1.5.1 Basics of multiscale wavelet projection method
1.5.2 First-level homogenization--wavelet-based coarse-grained DNA model
1.5.3 Second-level homogenization--hyperelastic beam formulation for DNA
1.5.4 Applications
1.6 Conclusion
Appendix: Wavelet and decomposition coefficients for linear spline function
References
Chapter 2 Computational Contact Formulations for SoftBody Adhesion
2.1 Introduction
2.2 Continuum contact formulation
2.3 Finite element formulations
2.4 Adhesion examples
2.5 Peeling contact
2.6 Rough surface contact
2.7 Conclusion
References
Chapter 3 Soft Matter Modeling of Biological Cells
3.1 Introduction
3.2 Soft matter modeling of cells
3.2.1 The future is soft
3.2.2 The reasons to use liquid crystal elastomers tomodel cell and focal adhesion
3.2.3 Elasticity of soft contact/cell adhesion and surfacematerial property sensing
3.2.4 Cell and ECM modeling
3.3 A nanoscale adhesive contact model
3.4 Meshfree Galerkin formulation and the computationalalgorithm
3.5 Numerical simulations
3.5.1 Validation of the material models
3.5.2 Endothelial cell simulations
3.5.3 Stem cell simulations
3.6 Discussion and conclusionsReferences
Chapter 4 Modeling the Mechanics of Semifiexible Biopolymer Networks: Non-affine Deformation and Presence of Long-range Correlations
4.1 Introduction
4.2 Network representation and generation
4.3 Affine vs. non-affine deformation
4.4 Network microstructure: scaling properties of the fiberdensity function
4.5 Network elasticity: the equivalent continuum and itselastic moduli
4.6 Boundary value problems on dense fiber network domains
4.6.1 Background: affine and non-affine theories
4.6.2 Karhunen-Loeve decomposition
4.6.3 Stochastic finite element formulation of 2D problems
4.7 Solution of boundary value problems on dense fiber network domains
References
Chapter 5 Atomic Scale Monte-Carlo Studies of Entropic Elasticity Properties of Polymer Chain Molecules
5.1 Introduction
5.2 Entropic elasticity of linear polymer molecules
5.2.1 Continuum limit
5.2.2 Monte- Carlo sampling
5.3 Summary
References
Chapter 6 Continuum Models of Stimuli-responsive Gels
6.1 Introduction
6.2 Nonequilibrium thermodynamics of neutral gels
6.3 A simple material model for neutral gels
6.4 Swelling of a spherical gel
6.5 Thermodynamics of polyelectrolyte gels
6.6 A material model for polyelectrolyte gels
6.7 Chemical reactions and pH-sensitive gels
6.8 Equilibrium models of polymeric gels
6.9 Summary
References
Chapter 7 Micromechanics of 3D Crystallized Protein Structures
7.1 Introduction
7.2 3D crystallized protein structures
7.3 Thermomechanical properties of protein crystals
7.4 A micromechanical model for protein crystals
7.5 Application to tetragonal lysozyme as a protein crystal model
7.5.1 Elastic deformation in lysozyme crystals
7.5.2 Plastic deformation in lysozyme crystals
7.5.3 Anisotropic plastic yielding of lysozyme crystals
7.5.4 Orientation effect on mechanical behavior of lysozyme crystals
References
Chapter 8 Micromechanical Modeling of Three dimensional Open-cell Foams
8.1 Introduction
8.1.1 Unit cell models
8.1.2 Random cell models
8.2 Micromechanics model using a tetrakaidecahedral unit cell
8.2.1 Formulation
8.2.2 Numerical results
8.2.3 Summary
8.3 Random cell model incorporating cell shape and strut cross-sectional area irregularities
8.3.1 Analysis
8.3.2 Results and discussion
8.3.3 Summary
References
Chapter 9 Capillary Adhesion of Micro-beams and Plates: A Review
9.1 Introduction
9.2 Capillary adhesion of micro-beams of infinitesimal deformation
9.3 Capillary adhesion of micro-beams of finite deformation
9.4 Hierarchical structure of micro-beams induced by capillary force
9.5 Capillary adhesion of a plate
9.6 Conclusions
References
Color Plots