Conveners
A15: Atomics
- Sutee Boonchui (Department of Physics, Kasetsart University)
- Bumned Soodchomshom
The dynamics of pinned spiral waves, whose tips trace the boundary of obstacles, are of interest due to the impact on human health. In heart, such pinned waves cause longer lifetime tachycardia. In this article, we present two methods for generating pinned spiral waves in a simulated excitable system. In method A, an obstacle is set in the system prior to an ignition of a spiral wave. This...
Spiral waves are often found in excitable media and they are abnormal forms of action potential propagation in the case of hearts. Under an external forcing, the spiral waves drift and are subsequently terminated at the boundary. Spiral waves can be studied in simulations using a discrete reaction-diffusion system, thereby the time step must be less than a numerical stability limit (ts). In...
We investigate theoretically the transmission properties of a single atom passing through simple Tesla valve structures operated in a quantum mechanical regime. Our simple structure were made up of a few static equiangular triangles that allow a high and low transmission efficiency in one direction and not the other. Our best value of the extinction ratio, the ratio between forward and...
Metal-organic complexes, such as metal-porphyrins, can function as homogeneous catalysts for electrochemical reduction. In this work we present ab initio electronic structure calculations for a reaction involving carbon dioxide and salcomine, a coordination complex consisting of a salen ligand and a cobalt (II) atom. Changes to the binding energy due to substitutions on the phenyl ring by...
The elastic properties of copper-silver alloy were determined for different atomic compositions by molecular dynamics simulations using an embedded atom model (EAM) potential. The elastic constants (c$_{11}$, c$_{12}$, c$_{44}$) that describe the Young’s modulus, bulk modulus, and shear modulus, were obtained from the stress-strain curves using strains applied at a constant rate. The...
The double-stranded DNA (dsDNA) that is separated and unwound changes its structure to the single-stranded DNA (ssDNA) in response either to the thermal energy or to the external forces. For the former the thermally induced dsDNA-to-ssDNA transition, called DNA denaturation, occurs in the polymer chain reactions. For the latter the force induced dsDNA-to-ssDNA transition, called DNA unzipping,...
