resources relevant to the CNS "theory and modeling" cluster

computational resources

• web calculators and interactive visualization

• nanoeducation tools
• dynamical model overview

• fast calculations w/ImageJ, Mathematica

patterns in data sets

• multi-moment correlations

• Bayesian noise removal
• network layer-multiplicity analysis

• second-moment correlations

• digital darkfield work on lattice images
• location of weak periodicities via tableaux
• screening for ico-twins and screw-dislocations
• mapping of projected pico-scale lattice strains
• challenges for the wavelet community
• heterogeneity and roughness spectroscopy
• real time display of sound amplitude harmonics and phase

beam/tip interaction modeling

• (S)TEM from specimens <10nm thick

• crystal fringe-visibility maps
• nanocrystal lattice determinations
• visibility profile thickness measurements
• screening for epitaxy between tubes and particles
• quantitative scattering from molecules and atoms
• chain molecules and atoms on nanotube supports
• atomic-number determination from HAADF
• fast strong-phase-object image simulation

• Scanning probe microscopy

• instrument response
• time-domain noise analysis
• tip shape analysis
• near-field Fourier absorption spectroscopy
• lateral displacement mapping
• surface-tip interaction analysis
• molecular recognition w/nanotube tips

structure modeling

• structures in single crystal silicon

• bonded Si-Si interfaces esp. <110>/<100>
• hybrid-interface coherency mechanisms
• interface electronic properties
• nanotwin-termination atom positions
• precise buried oxide thickness profiling
• strain relaxation in sSi/Si-Ge

• unlayered graphene in presolar grains

• diffraction and HREM contrast analysis
• dendritic solidification from a melt
• atom-atom and PAH-PAH collsion models

process modeling

• room temperature 10-nm oxide intrusions on Si

• transition-metal catalyzed nucleation
• diffusion and strain limited growth

• time-evolution of SPM roughness spectra

• during nucleation and growth on initially flat surfaces
• during sputtering of initially flat surfaces

• carbon sphere formation in AGB star atmospheres

• radiation pressure ejection and core-rim ratio models
• possible processes for C-droplet formation

• nano-particles in the interstellar medium

• lifetimes and inter-arm diffusion dynamics
• thermal and radiation effects