Atomic and Mesoscale Modelling of Nanoscale Phenomena


Atomistic Simulations in Nanostructures Composed of Tens of Millions of Atoms: Importance of long-range Strain Effects in Quantum Dots

, , , , , , ,
Realistic calculations of propertioes of nanostructures begin with the determination of equilibrium positions of constituent atoms. The nanoelectronic modeling tool NEMO-3D determines these positions by minimizing the total elastic energy. The displacements are further used [...]

Theory and Experiments on Periodic Lattice Distortions that Explain 1D Conductivity along the CuO2 Plane Ab And A-B Diagonals in YBa2Cu3O7 (YBCO) 50 nm Film with a 24 DEG Grain Boundary (Gb)

, , , ,
Self consistent field (SCF) calculations carried out at San José State University (using MOLECOLE Linux codes) for a nano-particle of 18 molecules of T’-Nd2CuO4 explain the dxy symmetry for preferred superconductivity in the ab plane. [...]

Journal: TechConnect Briefs
Volume: 2, Technical Proceedings of the 2005 NSTI Nanotechnology Conference and Trade Show, Volume 2
Published: May 8, 2005
Industry sector: Advanced Materials & Manufacturing
Topic: Informatics, Modeling & Simulation
ISBN: 0-9767985-1-4