In classical molecular dynamics free energy is arguably one of the most important quantities in analyzing a molecular system. In addition to the standard free energy there is a related free energy concept that is prevalent in transition state theory, but which relies on a different ensemble concept. We show that problems that rely on either definition can be treated in a uniform way using const...

The shape of the air flow in the interior is heavily influenced by the air distribution system and the way air enters and exits. By numerically simulating flow by computational fluid dynamics, one can determine the flow pattern and temperature distribution and, with the help of the results, provide an optimal design of the air conditioning system. In this study, a chamber was first constructed ...

Many particle-based datasets produced by molecular dynamics simulations consist of millions of particles. Current visualization techniques are incapable of representing those large-scale datasets consistently across all scales. They either produce overlysmooth representation or are prone to aliasing due to under-sampling. This work introduces a technique that captures the micro-scale surface fe...

Nonlinear dynamics are basic to the characterization of many physical phenomena encountered in practice. Typically, we are given a time series of some observable(s) and the requirement is to uncover the underlying dynamics responsible for generating the time series. This problem becomes particularly challenging when the process and measurement equations of the dynamics are both nonlinear and no...

In the present study, properties of silver nanoparticles (AgNPs) such as average size, size distribution andmorphology were investigated by Tollens, polysaccharide, modified polysaccharide and microbial methods.The synthesized AgNPs were characterized by UV-visible spectroscopy, scanning electron microscopy(SEM), transmission electron microscopy (TEM), dynamics light scatterin...

cotton whitefly,  bemisia tabaci is considered as one of the most important pests of fall cucumber in khouzestan province. studies were conducted to examine the seasonal dynamics and spatial distribution of b.tabaci on fall cucumber during 2006 and 2007 in mollasani area. in both years, adult whiteflies first appeared on the plants in early september. in 2006 and 2007, mean maximum of adults oc...

Ecological interaction, including competition for resources, often causes frequency-dependent disruptive selection, which, when accompanied by reproductive isolation, may act as driving forces of adaptive speciation. While adaptive dynamics models have added new perspectives to our understanding of the ecological dimensions of speciation processes, it remains an open question how best to incorp...

We consider the dynamics of many phase oscillators that interact through a coupling network. For a given network connectivity we further consider an ensemble of such systems where, for each ensemble member, the set of oscillator natural frequencies is independently and randomly chosen according to a given distribution function. We then seek a statistical description of the dynamics of this ense...