Multicomponent fluids of hard hyperspheres in odd dimensions

Mixtures of hard hyperspheres in odd space dimensionalities are studied with an analytical approximation method. This technique is based on the so-called Rational Function Approximation and provides a procedure for evaluating equations of state, structure factors, radial distribution functions, and direct correlations functions of additive mixtures of hard hyperspheres with any number of components and in arbitrary odd-dimension space. The method gives the exact solution of the Ornstein--Zernike equation coupled with the Percus--Yevick closure, thus extending to arbitrary odd dimension the solution for hard-sphere mixtures [J. L. Lebowitz, Phys.\ Rev.\ \textbf{133}, 895 (1964)]. Explicit evaluations for binary mixtures in five dimensions are performed. The results are compared with computer simulations and a good agreement is found.Comment: 16 pages, 8 figures; v2: slight change of notatio

Movimientos simétrico lineales esféricos segmentados para interpolación de orientaciones en planificación de trayectorias de herramienta en CNC de 5 Ejes

RESUMEN: Este artículo emplea biarcos cuaterniónicos para interpolar un conjunto de orientaciones con restricciones de velocidad angular. La curva cuaterniónica resultante representa un movimiento simétrico lineal esférico segmentado con continuidad C1 . El propósito de este esfuerzo es poner en uso los movimientos simétrico lineales desde el punto de vista de aproximación e interpolación de movimiento y presentar su potencial aplicación en la simulación de mecanizado por Control Numérico Computarizado (CNC) y planeación de trayectorias de herramienta. Los biarcos cuaterniónicos pueden ser usados para aproximar curvas B-spline cuaterniónicas que representan movimientos esféricos racionales, los cuales tienen aplicaciones en planeación de trayectorias de robots, en CAD/CAM y en gráficas por computador.ABSTRACT: This paper employs quaternion biarcs to interpolate a set of orientations with angular velocity constraints. The resulting quaternion curve represents a piecewise line-symmetric spherical motion with C1 continuity. The purpose of this effort is to put line-symmetric motions into use from the viewpoint of motion approximation and interpolation, and to present their potential applications in Computerized Numerical Control (CNC) machining simulation and tool path planning. Quaternion biarcs may be used to approximate B-spline quaternion curves that represent rational spherical motions that have applications in robot path planning, CAD/CAM and computer graphics

Kriging Models That Are Robust With Respect to Simulation Errors

In the field of the Design and Analysis of Computer Experiments (DACE) meta-models are used to approximate time-consuming simulations. These simulations often contain simulation-model errors in the output variables. In the construction of meta-models, these errors are often ignored. Simulation-model errors may be magnified by the meta-model. Therefore, in this paper, we study the construction of Kriging models that are robust with respect to simulation-model errors. We introduce a robustness criterion, to quantify the robustness of a Kriging model. Based on this robustness criterion, two new methods to find robust Kriging models are introduced. We illustrate these methods with the approximation of the Six-hump camel back function and a real life example. Furthermore, we validate the two methods by simulating artificial perturbations. Finally, we consider the influence of the Design of Computer Experiments (DoCE) on the robustness of Kriging models.Kriging;robustness;simulation-model error

Fluid-solid transition in hard hyper-sphere systems

In this work we present a numerical study, based on molecular dynamics simulations, to estimate the freezing point of hard spheres and hypersphere systems in dimension D = 4, 5, 6 and 7. We have studied the changes of the Radial Distribution Function (RDF) as a function of density in the coexistence region. We started our simulations from crystalline states with densities above the melting point, and moved down to densities in the liquid state below the freezing point. For all the examined dimensions (including D = 3) it was observed that the height of the first minimum of the RDF changes in an almost continuous way around the freezing density and resembles a second order phase transition. With these results we propose a numerical method to estimate the freezing point as a function of the dimension D using numerical fits and semiempirical approaches. We find that the estimated values of the freezing point are very close to previously reported values from simulations and theoretical approaches up to D = 6 reinforcing the validity of the proposed method. This was also applied to numerical simulations for D = 7 giving new estimations of the freezing point for this dimensionality.Comment: 13 pages, 10 figure