Chemical kinetics modeling accounts for a significant portion of the computational time of atmospheric models. Effective application of multiple levels of heterogeneous parallelism can significantly reduce computational time, but implementation on emerging multi-core technologies can be prohibitively difficult. We introduce an approach for chemical kinetics modeling on multi-core SIMD architect...

ion reaction, after the ZPE contributions are included there is no barrier in the effective potential along the reaction coordinate, so important variational effects are expected. Both VMEP and the vibrationally adiabatic potential are plotted along the path in Figure 1. At room temperature the maximum of the free energy (see eq 2.4.36) is located at s* CVT ) -0.364 a0, whereas s* μVT is energy...

Three major models (from Tofts, Larsson, and Brix) for collecting and analyzing dynamic MRI gadolinium-diethylenetriamine penta-acetic acid (GI-DTPA) data are examined. All models use compartments representing the blood plasma and the abnormal extravascular extracellular space (EES), and they are intercompatible. All measure combinations of three parameters: (1) kPSp is the influx volume transf...

This paper presents a hierarchical modeling approach for Solid-Oxide Fuel Cells from elementary kinetics to stacks. On a fundamental level, we have developed an analytical model for the evaluation of volume specific three-phase boundary length (vLtpb) in composite electrodes and electrochemical kinetics expressions to account for coverage dependent activation energies of various surface adsorbe...

Hepatitis C virus (HCV) is a single-stranded RNA virus that infects the hepatocytes of the liver. Infected cells become damaged and release alanine aminotransferase (ALT), which exists normally within liver cells. Our main goal in this project was to determine the usefullness of ALT levels to determine the outcome of HCV treatment and viral load levels. As part of our investigations, we first l...

Nonlinear wrinkling of a compressed film on a soft substrate in the presence of inhomogeneous swelling actuation strain caused by solvent diffusion is studied. The simulation relies on a continuum model which integrates phase field microelasticity and Föppl-von Kármán plate theory. We show that the wrinkling morphologies developed in the diffusive domain exceeding a critical compression are con...

We present a calculation technique for modeling inhomogeneous DNA replication kinetics, where replication factors such as initiation rates or fork speeds can change with both position and time. We can use our model to simulate data sets obtained by molecular combing, a widely used experimental technique for probing replication. We can also infer information about the replication program by fitt...

Hypoxia inducible factors (HIFs) play vital roles in cellular maintenance of oxygen homeostasis. These transcription factors are responsible for the expression of genes involved in angiogenesis, metabolism, and cell proliferation. Here, we generate a detailed mathematical model for the enzyme kinetics of α-ketoglutarate-dependent HIF prolyl 4-hydroxylase domain (PHD) dioxygenases to simulate ou...

Having sufficient and accurate understanding about kinetics of phenomena, could be an important reason for further technological progresses. Finding a white-box mathematical model for weight vs. time curves of Electrophoretic Deposition (EPD) using large and small signal analysis has been studied thoroughly in the present investigation. Weight-Time curves of nano-Mullite suspension have been tr...