A soft-tetramer model for diblock copolymer melts: structure formation and geometric characterization

The ability of block copolymers to spontaneously self-assemble into a variety of ordered nano-structures not only makes them a scientifically interesting system for the investigation of order-disorder phase transitions, but also offers a wide range of nano-technological applications. The architecture of a diblock is the most simple among the block copolymer systems, hence it is often used as a model system in both experiment and theory. We introduce a new soft-tetramer model for efficient computer simulations of diblock copolymer melts. The instantaneous non-spherical shape of polymer chains in molten state is incorporated by modeling each of the two blocks as two soft spheres. The interactions between the spheres are modeled in a way that the diblock melt tends to microphase separate with decreasing temperature. Using Monte Carlo simulations, we determine the equilibrium structures at variable values of the two relevant control parameters, the diblock composition and the incompatibility of unlike components. The simplicity of the model allows us to scan the control parameter space in a completeness that has not been reached in previous molecular simulations.The resulting phase diagram shows clear similarities with the phase diagram found in experiments. Moreover, we show that structural details of block copolymer chains can be reproduced by our simple model.We develop a novel method for the identification of the observed diblock copolymer mesophases that formalizes the usual approach of direct visual observation,using the characteristic geometry of the structures. A cluster analysis algorithm is used to determine clusters of each component of the diblock, and the number and shape of the clusters can be used to determine the mesophase.We also employ methods from integral geometry for the identification of mesophases and compare their usefulness to the cluster analysis approach.To probe the properties of our model in confinement, we perform molecular dynamics simulations of atomistic polyethylene melts confined between graphite surfaces. The results from these simulations are used as an input for an iterative coarse-graining procedure that yields a surface interaction potential for the soft-tetramer model. Using the interaction potential derived in that way, we perform an initial study on the behavior of the soft-tetramer model in confinement. Comparing with experimental studies, we find that our model can reflect basic features of confined diblock copolymer melts.

Exploring double field theory

We consider a flux formulation of Double Field Theory in which fluxes are dynamical and field-dependent. Gauge consistency imposes a set of quadratic constraints on the dynamical fluxes, which can be solved by truly double configurations. The constraints are related to generalized Bianchi Identities for (non-)geometric fluxes in the double space, sourced by (exotic) branes. Following previous constructions, we then obtain generalized connections, torsion and curvatures compatible with the consistency conditions. The strong constraint-violating terms needed to make contact with gauged supergravities containing duality orbits of non-geometric fluxes, systematically arise in this formulation.

A second look at gauged supergravities from fluxes in M-theory

We investigate reductions of M-theory beyond twisted tori by allowing the presence of KK6 monopoles (KKO6-planes) compatible with N = 4 supersymmetry in four dimensions. The presence of KKO6-planes proves crucial to achieve full moduli stabilisation as they generate new universal moduli powers in the scalar potential. The resulting gauged supergravities turn out to be compatible with a weak G2 holonomy at N = 1 as well as at some non-supersymmetric AdS4 vacua. The M-theory flux vacua we present here cannot be obtained from ordinary type IIA orientifold reductions including background fluxes, D6-branes (O6-planes) and/or KK5 (KKO5) sources. However, from a four-dimensional point of view, they still admit a description in terms of so-called non-geometric fluxes. In this sense we provide the M-theory interpretation for such non-geometric type IIA flux vacua.

The M-theory origin of global properties of gauge theories

We show that global properties of gauge groups can be understood as geometric properties in M-theory. Different wrappings of a system of N M5-branes on a torus reduce to four-dimensional theories with AN−1 gauge algebra and different unitary groups. The classical properties of the wrappings determine the global properties of the gauge theories without the need to impose any quantum conditions. We count the inequivalent wrappings as they fall into orbits of the modular group of the torus, which correspond to the S-duality orbits of the gauge theories.

Communication: Transition State Theory for dissipative systems without a dividing surface

Transition state theory is a central cornerstone in reaction dynamics. Its key step is the identification of a dividing surface that is crossed only once by all reactive trajectories. This assumption is often badly violated, especially when the reactive system is coupled to an environment. The calculations made in this way then overestimate the reaction rate and the results depend critically on the choice of the dividing surface. In this Communication, we study the phase space of a stochastically driven system close to an energetic barrier in order to identify the geometric structure unambiguously determining the reactive trajectories, which is then incorporated in a simple rate formula for reactions in condensed phase that is both independent of the dividing surface and exact.

A geometric characterization of the upper bound for the span of the jones polynomial

Let D be a link diagram with n crossings, sA and sB be its extreme states and |sAD| (respectively, |sBD|) be the number of simple closed curves that appear when smoothing D according to sA (respectively, sB). We give a general formula for the sum |sAD| + |sBD| for a k-almost alternating diagram D, for any k, characterizing this sum as the number of faces in an appropriate triangulation of an appropriate surface with boundary. When D is dealternator connected, the triangulation is especially simple, yielding |sAD| + |sBD| = n + 2 - 2k. This gives a simple geometric proof of the upper bound of the span of the Jones polynomial for dealternator connected diagrams, a result first obtained by Zhu [On Kauffman brackets, J. Knot Theory Ramifications6(1) (1997) 125–148.]. Another upper bound of the span of the Jones polynomial for dealternator connected and dealternator reduced diagrams, discovered historically first by Adams et al. [Almost alternating links, Topology Appl.46(2) (1992) 151–165.], is obtained as a corollary. As a new application, we prove that the Turaev genus is equal to the number k of dealternator crossings for any dealternator connected diagram

Analysis of the geometric altimetry to support aircraft optimal profiles within future 4D trajectory management

The use of barometric altimetry is to some extent a limiting factor on safety, predictability and efficiency of aircraft operations, and reduces the potential of the trajectory based operations capabilities. However, geometric altimetry could be used to improve all of these aspects. Nowadays aircraft altitude is estimated by applying the International Standard Atmosphere which differs from real altitude. At different temperatures for an assigned barometric altitude, aerodynamic forces are different and this has a direct relationship with time, fuel consumption and range of the flight. The study explores the feasibility of using sensors providing geometric reference altitude, in particular, to supply capabilities for the optimization of vertical profiles and also, their impact on the vertical Air Traffic Management separation assurance processes. One of the aims of the thesis is to assess if geometric altitude fulfils the aeronautical requirements through existing sensors. Also the thesis will elaborate on the advantages of geometric altitude over the barometric altitude in terms of efficiency for vertical navigation. The evidence that geometric altitude is the best choice to improve the efficiency in vertical profile and aircraft capacity by reducing vertical uncertainties will also be shown. In this paper, an atmospheric study is presented, as well as the impact of temperature deviation from International Standard Atmosphere model is analyzed in order to obtain relationship between geometric and barometric altitude. Furthermore, an aircraft model to study aircraft vertical profile is provided to analyse trajectories based on geometric altitudes.

Empirical analysis of traffic volume for the application of the options theory to highway concessions

*************************************************************************************** EL WCTR es un Congreso de reconocido prestigio internacional en el ámbito de la investigación del transporte que hasta el 2010 publicaba sus libros de abstracts con ISBN. Por ello consideramos que debería seguir teníendose en cuenta para los indicadores de calidad ******************************************************************************************* Investment projects in the field of transportation infrastructures have a high degree of uncertainty and require an important amount of resources. In highway concessions in particular, the calculation of the Net Present Value (NPV) of the project by means of the discount of cash flows, may lead to erroneous results when the project incorporates certain flexibility. In these cases, the theory of real options is an alternative tool for the valuation of concessions. When the variable that generates uncertainty (in our case, the traffic) follows a random walk (or Geometric Brownian Motion), we can calculate the value of the options embedded in the contract starting directly from the process followed by that variable. This procedure notably simplifies the calculation method. In order to test the hypothesis of the evolution of traffic as a Geometric Brownian Motion, we have used the available series of traffic in Spanish highways, and we have applied the Augmented Dickey-Fuller approach, which is the most widely used test for this kind of study. The main result of the analysis is that we cannot reject the hypothesis that traffic follows a Geometric Brownian Motion in the majority of both toll highways and free highways in Spain.

Geometric Study of the Weak Equilibrium in a Weighted Case for a Two-Dimensional Competition Game

In this work, an improvement of the results presented by [1] Abellanas et al. (Weak Equilibrium in a Spatial Model. International Journal of Game Theory, 40(3), 449-459) is discussed. Concretely, this paper investigates an abstract game of competition between two players that want to earn the maximum number of points from a finite set of points in the plane. It is assumed that the distribution of these points is not uniform, so an appropriate weight to each position is assigned. A definition of equilibrium which is weaker than the classical one is included in order to avoid the uniqueness of the equilibrium position typical of the Nash equilibrium in these kinds of games. The existence of this approximated equilibrium in the game is analyzed by means of computational geometry techniques.

A unified theory of carcinogenesis based on order–disorder transitions in DNA structure as studied in the human ovary and breast

Fourier transform-infrared/statistics models demonstrate that the malignant transformation of morphologically normal human ovarian and breast tissues involves the creation of a high degree of structural modification (disorder) in DNA, before restoration of order in distant metastases. Order–disorder transitions were revealed by methods including principal components analysis of infrared spectra in which DNA samples were represented by points in two-dimensional space. Differences between the geometric sizes of clusters of points and between their locations revealed the magnitude of the order–disorder transitions. Infrared spectra provided evidence for the types of structural changes involved. Normal ovarian DNAs formed a tight cluster comparable to that of normal human blood leukocytes. The DNAs of ovarian primary carcinomas, including those that had given rise to metastases, had a high degree of disorder, whereas the DNAs of distant metastases from ovarian carcinomas were relatively ordered. However, the spectra of the metastases were more diverse than those of normal ovarian DNAs in regions assigned to base vibrations, implying increased genetic changes. DNAs of normal female breasts were substantially disordered (e.g., compared with the human blood leukocytes) as were those of the primary carcinomas, whether or not they had metastasized. The DNAs of distant breast cancer metastases were relatively ordered. These findings evoke a unified theory of carcinogenesis in which the creation of disorder in the DNA structure is an obligatory process followed by the selection of ordered, mutated DNA forms that ultimately give rise to metastases.

Semi-analytical solution for nonlinear vibration of laminated FGM plates with geometric imperfections

This paper investigates the nonlinear vibration of imperfect shear deformable laminated rectangular plates comprising a homogeneous substrate and two layers of functionally graded materials (FGMs). A theoretical formulation based on Reddy's higher-order shear deformation plate theory is presented in terms of deflection, mid-plane rotations, and the stress function. A semi-analytical method, which makes use of the one-dimensional differential quadrature method, the Galerkin technique, and an iteration process, is used to obtain the vibration frequencies for plates with various boundary conditions. Material properties are assumed to be temperature-dependent. Special attention is given to the effects of sine type imperfection, localized imperfection, and global imperfection on linear and nonlinear vibration behavior. Numerical results are presented in both dimensionless tabular and graphical forms for laminated plates with graded silicon nitride/stainless steel layers. It is shown that the vibration frequencies are very much dependent on the vibration amplitude and the imperfection mode and its magnitude. While most of the imperfect laminated plates show the well-known hard-spring vibration, those with free edges can display soft-spring vibration behavior at certain imperfection levels. The influences of material composition, temperature-dependence of material properties and side-to-thickness ratio are also discussed. (C) 2004 Elsevier Ltd. All rights reserved.

Comparison of beam theory and finite-element analysis with in vivo bone strain data from the alligator cranium

The mechanical behavior of the vertebrate skull is often modeled using free-body analysis of simple geometric structures and, more recently, finite-element (FE) analysis. In this study, we compare experimentally collected in vivo bone strain orientations and magnitudes from the cranium of the American alligator with those extrapolated from a beam model and extracted from an FE model. The strain magnitudes predicted from beam and FE skull models bear little similarity to relative and absolute strain magnitudes recorded during in vivo biting experiments. However, quantitative differences between principal strain orientations extracted from the FE skull model and recorded during the in vivo experiments were smaller, and both generally matched expectations from the beam model. The differences in strain magnitude between the data sets may be attributable to the level of resolution of the models, the material properties used in the FE model, and the loading conditions (i.e., external forces and constraints). This study indicates that FE models and modeling of skulls as simple engineering structures may give a preliminary idea of how these structures are loaded, but whenever possible, modeling results should be verified with either in vitro or preferably in vivo testing, especially if precise knowledge of strain magnitudes is desired. (c) 2005 Wiley-Liss, Inc.

A geometric approach to quantum circuit lower bounds

What is the minimal size quantum circuit required to exactly implement a specified n-qubit unitary operation, U, without the use of ancilla qubits? We show that a lower bound on the minimal size is provided by the length of the minimal geodesic between U and the identity, I, where length is defined by a suitable Finsler metric on the manifold SU(2(n)). The geodesic curves on these manifolds have the striking property that once an initial position and velocity are set, the remainder of the geodesic is completely determined by a second order differential equation known as the geodesic equation. This is in contrast with the usual case in circuit design, either classical or quantum, where being given part of an optimal circuit does not obviously assist in the design of the rest of the circuit. Geodesic analysis thus offers a potentially powerful approach to the problem of proving quantum circuit lower bounds. In this paper we construct several Finsler metrics whose minimal length geodesics provide lower bounds on quantum circuit size. For each Finsler metric we give a procedure to compute the corresponding geodesic equation. We also construct a large class of solutions to the geodesic equation, which we call Pauli geodesics, since they arise from isometries generated by the Pauli group. For any unitary U diagonal in the computational basis, we show that: (a) provided the minimal length geodesic is unique, it must be a Pauli geodesic; (b) finding the length of the minimal Pauli geodesic passing from I to U is equivalent to solving an exponential size instance of the closest vector in a lattice problem (CVP); and (c) all but a doubly exponentially small fraction of such unitaries have minimal Pauli geodesics of exponential length.

The Hierarchical Structure of the Firm: A Geometric Perspective

This paper incorporates hierarchical structure into the neoclassical theory of the firm. Firms are hierarchical in two respects: the organization of workers in production and the wage structure. The firm’s hierarchy is represented as the sector of a circle, where the radius represents the hierarchy’s height, the width of the sector represents the breadth of the hierarchy at a given height, and the angle of the sector represents span of control for any given supervisor. A perfectly competitive firm then chooses height and width, as well as capital inputs, in order to maximize profit. We analyze the short run and long run impact of changes in scale economies, input substitutability and input and output prices on the firm’s hierarchical structure. We find that the firm unambiguously becomes more hierarchical as the specialization of its workers increases or as its output price increases relative to input prices. The effect of changes in scale economies is contingent on the output price. The model also brings forth an analysis of wage inequality within the firm, which is found to be independent of technological considerations, and only depends on the firm’s wage schedule.