Special Geometry and Twisted Moduli in Orbifold Theories with Continuous Wilson Lines

Target space duality symmetries, which acts on K\"ahler and continuous Wilson line moduli, of a ${\bf Z}_N$ ($N\not=2$) 2-dimensional subspace of the moduli space of orbifold compactification are modified to include twisted moduli. These spaces described by the cosets $SU(n,1)\over SU(n)\times U(1)$ are $special$ K\"ahler, a fact which is exploited in deriving the extension of tree level duality transformation to include higher orders of the twisted moduli. Also, restrictions on these higher order terms are derived.Comment: 13 page

Uniform System for Accident Reporting

This report presents the results of Project 91-08 Task 5, Project 1, Part III: Uniform System for Accident Reporting

Geometric derivation of the microscopic stress: a covariant central force decomposition

We revisit the derivation of the microscopic stress, linking the statistical mechanics of particle systems and continuum mechanics. The starting point in our geometric derivation is the Doyle-Ericksen formula, which states that the Cauchy stress tensor is the derivative of the free-energy with respect to the ambient metric tensor and which follows from a covariance argument. Thus, our approach to define the microscopic stress tensor does not rely on the statement of balance of linear momentum as in the classical Irving-Kirkwood-Noll approach. Nevertheless, the resulting stress tensor satisfies balance of linear and angular momentum. Furthermore, our approach removes the ambiguity in the definition of the microscopic stress in the presence of multibody interactions by naturally suggesting a canonical and physically motivated force decomposition into pairwise terms, a key ingredient in this theory. As a result, our approach provides objective expressions to compute a microscopic stress for a system in equilibrium and for force-fields expanded into multibody interactions of arbitrarily high order. We illustrate the proposed methodology with molecular dynamics simulations of a fibrous protein using a force-field involving up to 5-body interactions

Importance of force decomposition for local stress calculations in biomembrane molecular simulations

Local stress fields are routinely computed from molecular dynamics trajectories to understand the structure and mechanical properties of lipid bilayers. These calculations can be systematically understood with the Irving-Kirkwood-Noll theory. In identifying the stress tensor, a crucial step is the decomposition of the forces on the particles into pairwise contributions. However, such a decomposition is not unique in general, leading to an ambiguity in the definition of the stress tensor, particularly for multibody potentials. Furthermore, a theoretical treatment of constraints in local stress calculations has been lacking. Here, we present a new implementation of local stress calculations that systematically treats constraints and considers a privileged decomposition, the central force decomposition, that leads to a symmetric stress tensor by construction. We focus on biomembranes, although the methodology presented here is widely applicable. Our results show that some unphysical behavior obtained with previous implementations (e.g. nonconstant normal stress profiles along an isotropic bilayer in equilibrium) is a consequence of an improper treatment of constraints. Furthermore, other valid force decompositions produce significantly different stress profiles, particularly in the presence of dihedral potentials. Our methodology reveals the striking effect of unsaturations on the bilayer mechanics, missed by previous stress calculation implementations

Combined molecular/continuum modeling reveals the role of friction during fast unfolding of coiled-coil proteins

Coiled-coils are filamentous proteins that form the basic building block of important force-bearing cellular elements, such as intermediate filaments and myosin motors. In addition to their biological importance, coiled-coil proteins are increasingly used in new biomaterials including fibers, nanotubes, or hydrogels. Coiled-coils undergo a structural transition from an a-helical coil to an unfolded state upon extension, which allows them to sustain large strains and is critical for their biological function. By performing equilibrium and out-of-equilibrium all-atom molecular dynamics (MD) simulations of coiledcoils in explicit solvent, we show that two-state models based on Kramers’ or Bell’s theories fail to predict the rate of unfolding at high pulling rates. We further show that an atomistically informed continuum rod model accounting for phase transformations and for the hydrodynamic interactions with the solvent can reconcile two-state models with our MD results. Our results show that frictional forces, usually neglected in theories of fibrous protein unfolding, reduce the thermodynamic force acting on the interface, and thus control the dynamics of unfolding at different pulling rates. Our results may help interpret MD simulations at high pulling rates, and could be pertinent to cytoskeletal networks or protein-based artificial materials subjected to shocks or blasts

Mathematical and physical techniques of modeling and simulation of pattern recognition in the stock market

The following article presents the analysis through mathematical and physical techniques of large databases, which are very common today, due to the large number of variables (especially in the information and physics industry) and the amount of information that results from a process, therefore an analysis is necessary that allows the Decision in a responsible manner, looking for scientific criteria that support said decisions, in our case a database of the forex system will be taken. Initially, a study and calculation of different measurements between the samples and their characteristics will be carried out to make a good prediction of the data and their behavior using different classification methods inspired by basic sciences. Below is an explanation of the techniques based on the analysis of data components and the correlations that exist between the variables, which is a technique widely used in physical processes to determine the correlations between variables