Applications of DFT to the theory of twentieth-century harmony

Music theorists have only recently, following groundbreaking work by Quinn, recognized the potential for the DFT on pcsets, initially proposed by Lewin, to serve as the foundation of a theory of harmony for the twentieth century. This paper investigates pcset “arithmetic” – subset structure, transpositional combination, and interval content – through the lens of the DFT. It discusses relationships between interval classes and DFT magnitudes, considers special properties of dyads, pcset products, and generated collections, and suggest methods of using the DFT in analysis, including interpreting DFT magnitudes, using phase spaces to understand subset structure, and interpreting the DFT of Lewin’s interval function. Webern’s op. 5/4 and Bartok’s String Quartet 4, iv, are discussed.Accepted manuscrip

Non-perturbative embedding of local defects in crystalline materials

We present a new variational model for computing the electronic first-order density matrix of a crystalline material in presence of a local defect. A natural way to obtain variational discretizations of this model is to expand the difference Q between the density matrix of the defective crystal and the density matrix of the perfect crystal, in a basis of precomputed maximally localized Wannier functions of the reference perfect crystal. This approach can be used within any semi-empirical or Density Functional Theory framework.Comment: 13 pages, 4 figure

Decontextualizing contextual inversion

Contextual inversion, introduced as an analytical tool by David Lewin, is a concept of wide reach and value in music theory and analysis, at the root of neo-Riemannian theory as well as serial theory, and useful for a range of analytical applications. A shortcoming of contextual inversion as it is currently understood, however, is, as implied by the name, that the transformation has to be defined anew for each application. This is potentially a virtue, requiring the analyst to invest the transformational system with meaning in order to construct it in the first place. However, there are certainly instances where new transformational systems are continually redefined for essentially the same purposes. This paper explores some of the most common theoretical bases for contextual inversion groups and considers possible definitions of inversion operators that can apply across set class types, effectively decontextualizing contextual inversions.Accepted manuscrip

Evaluation of a ln tan integral arising in quantum field theory

We analytically evaluate a dilogarithmic integral that is prototypical of volumes of ideal tetrahedra in hyperbolic geometry. We additionally obtain new representations of the Clausen function Cl_2 and the Catalan constant G=Cl_2(\pi/2), as well as new relations between sine and Clausen function values.Comment: 24 pages, no figure

Carbon release by selective alloying of transition metal carbides

We have performed first principles density functional theory calculations on TiC alloyed on the Ti sublattice with 3d transition metals ranging from Sc to Zn. The theory is accompanied with experimental investigations, both as regards materials synthesis as well as characterization. Our results show that by dissolving a metal with a weak ability to form carbides, the stability of the alloy is lowered and a driving force for the release of carbon from the carbide is created. During thin film growth of a metal carbide this effect will favor the formation of a nanocomposite with carbide grains in a carbon matrix. The choice of alloying elements as well as their concentrations will affect the relative amount of carbon in the carbide and in the carbon matrix. This can be used to design the structure of nanocomposites and their physical and chemical properties. One example of applications is as low-friction coatings. Of the materials studied, we suggest the late 3d transition metals as the most promising elements for this phenomenon, at least when alloying with TiC.Comment: 9 pages, 6 figure

Electronic structure and chemical bonding of nc-TiC/a-C nanocomposites

The electronic structure of nanocrystalline (nc-) TiC/amorphous C nanocomposites has been investigated by soft x-ray absorption and emission spectroscopy. The measured spectra at the Ti 2p and C 1s thresholds of the nanocomposites are compared to those of Ti metal and amorphous C. The corresponding intensities of the electronic states for the valence and conduction bands in the nanocomposites are shown to strongly depend on the TiC carbide grain size. An increased charge-transfer between the Ti 3d-eg states and the C 2p states has been identified as the grain size decreases, causing an increased ionicity of the TiC nanocrystallites. It is suggested that the charge-transfer occurs at the interface between the nanocrystalline TiC and the amorphous C matrix and represents an interface bonding which may be essential for the understanding of the properties of nc-TiC/amorphous C and similar nanocomposites.Comment: 13 pages, 6 figures, 1 table; http://link.aps.org/doi/10.1103/PhysRevB.80.23510

Recurrence Formulas for Fully Exponentially Correlated Four-Body Wavefunctions

Formulas are presented for the recursive generation of four-body integrals in which the integrand consists of arbitrary integer powers (>= -1) of all the interparticle distances r_ij, multiplied by an exponential containing an arbitrary linear combination of all the r_ij. These integrals are generalizations of those encountered using Hylleraas basis functions, and include all that are needed to make energy computations on the Li atom and other four-body systems with a fully exponentially correlated Slater-type basis of arbitrary quantum numbers. The only quantities needed to start the recursion are the basic four-body integral first evaluated by Fromm and Hill, plus some easily evaluated three-body "boundary" integrals. The computational labor in constructing integral sets for practical computations is less than when the integrals are generated using explicit formulas obtained by differentiating the basic integral with respect to its parameters. Computations are facilitated by using a symbolic algebra program (MAPLE) to compute array index pointers and present syntactically correct FORTRAN source code as output; in this way it is possible to obtain error-free high-speed evaluations with minimal effort. The work can be checked by verifying sum rules the integrals must satisfy.Comment: 10 pages, no figures, accepted by Phys. Rev. A (January 2009

Rapid fluctuations in the high-energy X-ray flux from a source in Crux

Balloonborne X ray telescopic observations of two point sources in Cru

A 2D systems approach to iterative learning control for discrete linear processes with zero Markov parameters

In this paper a new approach to iterative learning control for the practically relevant case of deterministic discrete linear plants with uniform rank greater than unity is developed. The analysis is undertaken in a 2D systems setting that, by using a strong form of stability for linear repetitive processes, allows simultaneous con-sideration of both trial-to-trial error convergence and along the trial performance, resulting in design algorithms that can be computed using Linear Matrix Inequalities (LMIs). Finally, the control laws are experimentally verified on a gantry robot that replicates a pick and place operation commonly found in a number of applications to which iterative learning control is applicable