The energy deposition of the thermonuclear target explosion products in Inertial Confinement Fusion (ICF) reactors, i.e., ion debris and X-rays and the resulting thermal response of first wall materials, is calculated using the computer code ATEN. Models to accurately simulate the ion and X-ray energy deposition and the consequent response of the wall are implemented in the code. Simultaneous m...

The Hilbert-Huang transform is applied to analyze single-particle Lagrangian velocity data from numerical simulations of hydrodynamic turbulence. The velocity trajectory is described in terms of a set of intrinsic mode functions C(i)(t) and of their instantaneous frequency ω(i)(t). On the basis of this decomposition we define the ω-conditioned statistical moments of the C(i) modes, named q-orde...

We present here a detailed time-dependent density-functional theory investigation aimed at systematically dissecting the electronic spectra of two thiolate and phosphine protected undecagold nanoclusters. Calculations performed on the experimental structures of Au11(PPh3)7Cl3 and Au11(PPh3)7(SPyr)3 show that ligands have negligible contributions in the visible region. Metal → ligand charge tran...

to evaluate the earth seismic response due to earthquake effects, ground response analyses are used to predict ground surface motions for development of design response spectra, to compute dynamic stresses and strains for evaluation of liquefaction hazards, and to determine the earthquake induced forces that can lead to instability of earth and earth-retaining structures. most of the analytical...

Setting up a system for first order results is straightforward. One can easily identify the major constituents in simple samples and obtain approximate concentrations. This is sufficient for some applications. However, second order effects are quite important for many applications. To obtain high accuracy, identify constituents with low concentrations, or operate on a wide variety of samples, s...

The prototropic exchange equilibria of two drugs, nizatidine (I) and ranitidine(II), and also of structurally related the N,N'-dimethyl-2-nitro-1,1-ethenediamine molecule (III) were investigated. From the changes in electronic spectra in media of various acidity several protonation constants were determined. For pK values were -0.82, 1.95, and 6.67; for ranitidine pK values were 1.95 and 8.13; ...