Informatics, Modeling & Simulation – Page 77

Model of Photovoltage Response of Bacteriorhodopsin in PVA Films

Frydrych M., Lensu L., Aschi C., Parkkinen J., Parkkinen S., Parkkinen J., Parkkinen S., Jaaskelainen T., Lappeenranta University of Technology, FI

Bacteriorhodopsin (BR) is a light-transducing protein contained in a purple membrane of microorganism Halobacterium salinarium. Natural function of BR is to act as a light-driven proton pump in energy balancing mechanism of the bacterium. Numerous [...]

Applications of the Structural Comparison Algorithm for Simulated Annealing Optimizations and Stochastic Simulations

Curotto E., Beaver College, US

The use of a structural comparison algorithm as a potential energy surface attractor map is introduced. The numerical procedure determines if two structures of a Xn and Xn-YZ species are identical from the respective Cartesian [...]

Computational Biology and Molecular Design

A Neural Network Based Macromodel for Microflow Sensors

Mikulchenko O., Rasmussen A., Mayaram K., Washington State University, US

A neural network based macromodel has been developed for a microflow sensor and implemented in the circuit simulator SPICE3f5. The model has been validated with numerical simulations and allows accurate and efficient simulation of microflow [...]

Modeling of Microfluidic Devices Using Scalable Algorithms

Stals L., Old Dominion University, US

We present parallel algorithms for the solution of micro uidic equations. The algorithm consists of the multigrid method in combination with adaptive finite elements. These methods give good algorithmic and parallel scalability and are thus [...]

Electroosmotic Flow in a Tube or Channel for Non-Negligible Zeta Potentials

Griffiths S.K., Nilson R.H., Sandia National Laboratories, US

Numerical methods based on a shooting technique are employed to determine the electric potential and fluid velocity in a tube and channel when the zeta poten- tial is not small. In addition, new analytical solutions [...]

Analysis of Sample Injection and Band-Broadening in Capillary Electrophoresis Microchips

Krishnamoorthy S., Giridharan M.G., CFD Research Corporation, US

An implicit finite-volume numerical scheme has been developed to solve the three-dimensional transport equations that govern the electroosmotic and electrophoretic phenomena. The scheme consists of solving the ion transport equation and electro-neutrality condition coupled with [...]

A Fast Stokes Solver for Generalized Flow Problems

Ye W., Wang X., White J.K., Massachusetts Institute of Technology, US

Computing drag forces on geometrically complicated 3-D micromachined structures, such asan entire comb resonator, is a challenging problem. The recently developed FastStokes solver, based on precorrected-FFT accelerated iterative methods, has made analyzing such problems much [...]

Computational Methods for Microfluidics

Heterogeneous Thin Films of Martensitic Materials with Application to Large Strain Microactuators

Shu Y.C., California Institute of Technology, US

We propose a multiscale modeling to study the effective behavior of a heterogeneous thin film accounting in detail for the underlying microstructure, grain sizes and the film thickness. Motivated by the recent study of shape-memory [...]