Efficient multiscale calculation results for microchannel mass transfer

Efficient multiscale methods for micro / nanoscale solid state heat transfer

In this thesis, we develop methods for solving the linearized Boltzmann transport equation (BTE) in the relaxation-time approximation for describing small-scale solidstate heat transfer. We first discuss a Monte Carlo (MC) solution method that builds upon the deviational energy-based Monte Carlo method presented in [J.-P. Praud and N.G. Hadjiconstantinou, Physical Review B, 84(20), p. 205331, 2...

Study of MHD Second Grade Flow through a Porous Microchannel under the Dual-Phase-Lag Heat and Mass Transfer Model

A semi-analytical investigation has been carried out to analyze unsteady MHD second-grade flow under the Dual-Phase-Lag (DPL) heat and mass transfer model in a vertical microchannel filled with porous material. Diffusion thermo (Dufour) effects and homogenous chemical reaction are considered as well. The governing partial differential equations are solved by using the Laplace transform method w...

Efficient calculation of charge-transfer matrix elements for hole transfer in DNA.

We present a new computational strategy to evaluate the charge-transfer (CT) parameters for hole transfer in DNA. On the basis of a fragment-orbital approach, site energies and coupling integrals for a coarse-grained tight-binding description of the electronic structure of DNA are rapidly calculated using the approximative density functional method SCC-DFTB. The methodology is validated by exte...

Multiscale Calculation of Many Eigenfunctions

Multiscale simulation of non-isothermal microchannel gas flows

Article history: Received 20 November 2013 Received in revised form 1 April 2014 Accepted 4 April 2014 Available online 12 April 2014