Trends in Computational Nanomechanics: Transcending Length and Time ScalesTraian Dumitrica Springer Science & Business Media, 14 mars 2010 - 620 pages Trends in Computational Nanomechanics reviews recent advances in analytical and computational modeling frameworks to describe the mechanics of materials on scales ranging from the atomistic, through the microstructure or transitional, and up to the continuum. The book presents new approaches in the theory of nanosystems, recent developments in theoretical and computational methods for studying problems in which multiple length and/or time scales must be simultaneously resolved, as well as example applications in nanomechanics. This title will be a useful tool of reference for professionals, graduates and undergraduates interested in Computational Chemistry and Physics, Materials Science, Nanotechnology. |
Table des matières
| 1 | |
| 25 | |
3 Transition Path Sampling Studies of SolidSolid Transformations in Nanocrystals under Pressure | 60 |
4 Nonequilibrium Molecular Dynamics and Multiscale Modeling of Heat Conduction in Solids | 85 |
5 A Multiscale Methodology to Approach Nanoscale Thermal Transport | 135 |
6 Multiscale Modeling of ContactInduced Plasticity in Nanocrystalline Metals | 151 |
From Empirical to First Principles Modeling | 173 |
8 Multiscale Modeling of Surface Effects on the Mechanical Behavior and Properties of Nanowires | 193 |
12 Potentials for van der Waals Interaction in NanoScale Computation | 323 |
13 Electrical Conduction in Carbon Nanotubes under Mechanical Deformations | 335 |
14 Multiscale Modeling of Carbon Nanotubes | 366 |
15 Quasicontinuum Simulations of Deformations of CarbonNanotubes | 389 |
16 Electronic Properties and Reactivities of Perfect Defected and Doped SingleWalled Carbon Nanotubes | 421 |
17 Multiscale Modeling of Biological Protein Materials Deformation and Failure | 472 |
A Hierarchical Multiscale Framework with Applications to Gating of Mechanosensitive Channels of Large Conductance | 535 |
Modeling Schemes for Biopolymer and Biofibril Networks | 557 |
9 Predicting the Atomic Configuration of 1 and 2Dimensional Nanostructures via Global Optimization Methods | 230 |
10 AtomicScale Simulations of the Mechanical Behavior of Carbon Nanotube Systems | 255 |
11 StickSpiral Model for Studying Mechanical Properties of Carbon Nanotubes | 296 |
Autres éditions - Tout afficher
Trends in Computational Nanomechanics: Transcending Length and Time Scales Trajan Dumitrica Aucun aperçu disponible - 2009 |
Trends in Computational Nanomechanics: Transcending Length and Time Scales Trajan Dumitrica Aucun aperçu disponible - 2012 |
Trends in Computational Nanomechanics: Transcending Length and Time Scales Trajan Dumitrica Aucun aperçu disponible - 2011 |
Expressions et termes fréquents
algorithm alpha helix angle applied approach atomistic atomistic region atomistic simulations bending bond boundary conditions buckling bulk calculated carbon atoms carbon nanotubes Cauchy-Born Cauchy-Born rule cell Chem chemical chirality CNTs coarse-grained collagen compressive computational configuration continuum mechanics crystal defects deformation density diameter domain effects elastic electronic equation equilibrium experimental fiber finite element fracture function grain graphene healing region helices hybrid interactions interface kcal/mol lattice Lennard-Jones potential Lett loading LUMO materials matrix MD simulations mechanical properties metals method modulus molecular dynamics molecules MWNTs Nanomechanics nanoscale nanostructures nanowires nodes number of atoms orbital parameters particles phonon Phys Rev Physical Review potential energy predicted protein protein domains quantum ratio reaction resonant frequencies reverse mapping rotation Section shear shown in Figure Solids stiffness structure surface stresses SWCNT SWNT temperature tensile thermal conductivity thermostat tion tissue torsional trajectories tube undeformed Waals Wang Young's modulus