Binding between endohedral Na atoms in Si clathrate I; a first principles study

We investigate the binding nature of the endohedral sodium atoms with the ensity functional theory methods, presuming that the clathrate I consists of a sheaf of one-dimensional connections of Na@Si$_{24}$ cages interleaved in three perpendicular directions. Each sodium atom loses 30% of the 3s$^1$ charge to the frame, forming an ionic bond with the cage atoms; the rest of the electron contributes to the covalent bond between the nearest Na atoms. The presumption is proved to be valid; the configuration of the two Na atoms in the nearest Si$_{24}$ cages is more stable by 0.189 eV than that in the Si$_{20}$ and Si$_{24}$ cages. The energy of the beads of the two distorted Na atoms is more stable by 0.104 eV than that of the two infinitely separated Na atoms. The covalent bond explains both the preferential occupancies in the Si$_{24}$ cages and the low anisotropic displacement parameters of the endohedral atoms in the Si$_{24}$ cages in the [100] directions of the clathrate I.Comment: First page: Affiliation added to PDF and PS versio

Usefulness of anaerobic threshold to peak oxygen uptake ratio to determine the severity and pathophysiological condition of chronic heart failure

学位記番号：医博甲1558

Behavioral-Independent Features of Complex Heartbeat Dynamics

We test whether the complexity of cardiac interbeat interval time series is simply a consequence of the wide range of scales characterizing human behavior, especially physical activity, by analyzing data taken from healthy adult subjects under three conditions with controls: (i) a ``constant routine'' protocol where physical activity and postural changes are kept to a minimum, (ii) sympathetic blockade, and (iii) parasympathetic blockade. We find that when fluctuations in physical activity and other behavioral modifiers are minimized, a remarkable level of complexity of heartbeat dynamics remains, while for neuroautonomic blockade the multifractal complexity decreases.Comment: 4 pages with 6 eps figures. Latex file. For more details or for downloading the PDF file of the published article see http://polymer.bu.edu/~amaral/Heart.html and http://polymer.bu.edu/~amaral/Multifractal.htm

Distribution of dust clouds around the central engine of NGC 1068

We studied the distribution of dust clouds around the central engine of NGC 1068 based on shifted-and-added 8.8 - 12.3 micron (MIR) multi-filter images and 3.0 - 3.9 micron (L-band) spectra obtained with the Subaru Telescope. In a region of 100 pc (1.4") around the central peak, we successfully constructed maps of color temperatures and emissivities of the MIR and L-band continua as well as the 9.7 micron and 3.4 micron dust features with spatial resolutions of 26 pc (0.37") in the MIR and 22 pc (0.3") in the L-band. Our main results are: 1) color temperature of the MIR continuum scatters around the thermal equilibrium temperature with the central engine as the heat source while that of the L-band continuum is higher and independent upon distance from the central engine; 2) the peak of the 9.7 micron silicate absorption feature is shifted to a longer wavelength at some locations; 3) the ratio of the optical depths of the dust features is different from the Galactic values and show complicated spatial distribution; and 4) there is a pie shaped warm dust cloud as an enhancement in the emissivity of the MIR continuum extending about 50 pc to the north from the central engine. We speculate that material falls into the central engine through this cloud.Comment: 26 pages, 9 figures. Accepted for publication on Ap