Estimation of Phonon Dispersion Relations Using Correlation Effects Among Thermal Displacements of Atoms

Neutron diffraction measurement of powder α-Fe sample at 295 K was carried out at the high resolution powder diffractometer installed at Japan Proton Accelerator Research Complex (J-PARC). Crystal parameters were determined from Rietveld analysis. The correlation effects among thermal displacements of atoms were estimated from a generalized equation based on the results of fomer diffuse scattering analysis. The force constants among atoms were obtained using an equation for transforming of the correlation effects to force constants. The force constants and the crystal structure of α-Fe were used to estimate the phonon dispersion relations, phonon density of states, and specific heat by computer simulation. The obtained force constants among first-nearest-neighboring atoms is 2.3 eV/Å2 at 295 K and the specific heat is 185 meV/K at 150 K. The calculated phonon dispersion relations and specific heat of α-Fe are similar to those obtained from inelastic neutron scattering and specific heat measurements, respectively. Received: 04 October 2014; Revised: 22 January 2015; Accepted: 30 March 201

Estimation of Phonon Dispersion Relations Using Correlation Effects Among Thermal Displacements of Atoms

Neutron diffraction measurement of powder α-Fe sample at 295 K was carried out at the high resolution powder diffractometer installed at Japan Proton Accelerator Research Complex (J-PARC). Crystal parameters were determined from Rietveld analysis. The correlation effects among thermal displacements of atoms were estimated from a generalized equation based on the results of fomer diffuse scattering analysis. The force constants among atoms were obtained using an equation for transforming of the correlation effects to force constants. The force constants and the crystal structure of α-Fe were used to estimate the phonon dispersion relations, phonon density of states, and specific heat by computer simulation. The obtained force constants among first-nearest-neighboring atoms is 2.3 eV/Å2 at 295 K and the specific heat is 185 meV/K at 150 K. The calculated phonon dispersion relations and specific heat of α-Fe are similar to those obtained from inelastic neutron scattering and specific heat measurements, respectively. Received: 04 October 2014; Revised: 22 January 2015; Accepted: 30 March 201

5-dimensional contact SO(3)-manifolds and Dehn twists

In this paper the 5-dimensional contact SO(3)-manifolds are classified up to equivariant contactomorphisms. The construction of such manifolds with singular orbits requires the use of generalized Dehn twists. We show as an application that all simply connected 5-manifoldswith singular orbits are realized by a Brieskorn manifold with exponents (k,2,2,2). The standard contact structure on such a manifold gives right-handed Dehn twists, and a second contact structure defined in the article gives left-handed twists.Comment: 16 pages, 1 figure; simplification of arguments by restricting classification to coorientation preserving contactomorphism

Regulation of Coronary Blood Flow

The heart is uniquely responsible for providing its own blood supply through the coronary circulation. Regulation of coronary blood flow is quite complex and, after over 100 years of dedicated research, is understood to be dictated through multiple mechanisms that include extravascular compressive forces (tissue pressure), coronary perfusion pressure, myogenic, local metabolic, endothelial as well as neural and hormonal influences. While each of these determinants can have profound influence over myocardial perfusion, largely through effects on end-effector ion channels, these mechanisms collectively modulate coronary vascular resistance and act to ensure that the myocardial requirements for oxygen and substrates are adequately provided by the coronary circulation. The purpose of this series of Comprehensive Physiology is to highlight current knowledge regarding the physiologic regulation of coronary blood flow, with emphasis on functional anatomy and the interplay between the physical and biological determinants of myocardial oxygen delivery. © 2017 American Physiological Society. Compr Physiol 7:321-382, 2017

Robust ordinal regression in preference learning and ranking

Multiple Criteria Decision Aiding (MCDA) offers a diversity of approaches designed for providing the decision maker (DM) with a recommendation concerning a set of alternatives (items, actions) evaluated from multiple points of view, called criteria. This paper aims at drawing attention of the Machine Learning (ML) community upon recent advances in a representative MCDA methodology, called Robust Ordinal Regression (ROR). ROR learns by examples in order to rank a set of alternatives, thus considering a similar problem as Preference Learning (ML-PL) does. However, ROR implements the interactive preference construction paradigm, which should be perceived as a mutual learning of the model and the DM. The paper clarifies the specific interpretation of the concept of preference learning adopted in ROR and MCDA, comparing it to the usual concept of preference learning considered within ML. This comparison concerns a structure of the considered problem, types of admitted preference information, a character of the employed preference models, ways of exploiting them, and techniques to arrive at a final ranking

Anharmonic Effective Pair Potentials of KBr and CsBr Determined by EXAFS

The anharmonic effective pair potentials V(u)=αu2+βu3/3!+γu4/4! in KBr and CsBr have been investigated at room temperature by the EXAFS technique. In the parameter fitting, we have directly carried out the numerical integration of EXAFS function and evaluated the anharmonic effective pair potential. The Grüneisen parameters γGwere calculated from the obtained values of α and β as 1.65 for KBr and 1.37 for CsBr, respectively. Contribution of the van der Waals term to the total energy has been determined by comparing with the calculated curve obtained by the empirical estimation, and rises from 1.8 % for KBr to 3.0 % for CsBr

Estimation of Phonon Dispersion Relations Using Correlation Effects Among Thermal Displacements of Atoms

Neutron diffraction measurement of powder α-Fe sample at 295 K was carried out at the high resolution powder diffractometer installed at Japan Proton Accelerator Research Complex (J-PARC). Crystal parameters were determined from Rietveld analysis. The correlation effects among thermal displacements of atoms were estimated from a generalized equation based on the results of fomer diffuse scattering analysis. The force constants among atoms were obtained using an equation for transforming of the correlation effects to force constants. The force constants and the crystal structure of α-Fe were used to estimate the phonon dispersion relations, phonon density of states, and specific heat by computer simulation. The obtained force constants among first-nearest-neighboring atoms is 2.3 eV/Å2 at 295 K and the specific heat is 185 meV/K at 150 K. The calculated phonon dispersion relations and specific heat of α-Fe are similar to those obtained from inelastic neutron scattering and specific heat measurements, respectivel