The environment-dependent interaction potential is a transferable empirical potential for carbon which is well suited for studying disordered systems. Ab initio data are used to motivate and parametrize the functional form, which includes environment-dependence in the pair and triple terms, and a generalized aspherical coordination describing dihedral rotation and nonbonded π -repulsion. Simula...

In recent years, several investigations of the environment-sensitive mechanical behavior of certain crystalline, nonmetallic materials and glasses have been directed toward characterizing the wear behavior of these materials under conditions of sliding and drilling in active liquid environments. Buckley,' for example, examined the change in plastic deformation and friction coefficient of single...

The laser induced plasma in liquid hasn’t been studied enough. In liquid, the laser induced plasma may be able to resolve the hazardous material called the environment material. Then, the plasma produced in liquid by the laser light is studied and the plasma development is observed by a streak camera. The ultra pure water or the ultra pure water with a melted NaCl is used as a test liquid. The ...

We investigate the problem of heat conduction across molecular junctions connecting two nanoparticles, both in vacuum and in a liquid environment, using classical molecular dynamics simulations. In vacuum, the well-known result of a length independent conductance is recovered; its precise value, however, is found to depend sensitively on the overlap between the vibrational spectrum of the junct...

quantum chemical calculations, based on density functional theory (dft) method, were performed on calix[4]arene and polychlorinated dibenzo-p-dioxins (pcdds) in gas and liquid phases for comparison purposes. the simulation results show the 1,2,3,4, 6,7,8,9-octachlorodibenzo-p-dioxin (ocdd) is quite a reactive dioxin. this paper attempts to examine the possibility of dioxin adsorption by calix[n...

This study addresses the new challenges facing the planning confliction for science parks and how it may be solved in a sustainable way in the case of the Southern Taiwan Southern Park (STSP). From the sustainable perspective, the problems can be classified into three parts. Firstly, the site is located in a lowlying area with flooding problems, which is also a historical area with highvalued c...

a simple, rapid and efficient dispersive liquid–liquid microextraction by use of ionic liquid (il-dllme)method, followed by flame atomic absorption spectrometry (faas) was developed for the preconcentrationand determination of palladium in water samples. in this method, an appropriate mixture of acetone and octylmethyl imidazolium hexafluorophosphate was injected rapidly into the aqueous sample...