A proposed parameterization of interface discontinuity factors depending on neighborhood for pin-by-pin diffusion computations for LWR

There exists an interest in performing full core pin-by-pin computations for present nuclear reactors. In such type of problems the use of a transport approximation like the diffusion equation requires the introduction of correction parameters. Interface discontinuity factors can improve the diffusion solution to nearly reproduce a transport solution. Nevertheless, calculating accurate pin-by-pin IDF requires the knowledge of the heterogeneous neutron flux distribution, which depends on the boundary conditions of the pin-cell as well as the local variables along the nuclear reactor operation. As a consequence, it is impractical to compute them for each possible configuration. An alternative to generate accurate pin-by-pin interface discontinuity factors is to calculate reference values using zero-net-current boundary conditions and to synthesize afterwards their dependencies on the main neighborhood variables. In such way the factors can be accurately computed during fine-mesh diffusion calculations by correcting the reference values as a function of the actual environment of the pin-cell in the core. In this paper we propose a parameterization of the pin-by-pin interface discontinuity factors allowing the implementation of a cross sections library able to treat the neighborhood effect. First results are presented for typical PWR configurations.

Parallelizing irregular and pointer-based computations automatically: perspectives from logic and constraint programming

Irregular computations pose sorne of the most interesting and challenging problems in automatic parallelization. Irregularity appears in certain kinds of numerical problems and is pervasive in symbolic applications. Such computations often use dynamic data structures, which make heavy use of pointers. This complicates all the steps of a parallelizing compiler, from independence detection to task partitioning and placement. Starting in the mid 80s there has been significant progress in the development of parallelizing compilers for logic pro­gramming (and more recently, constraint programming) resulting in quite capable paralle­lizers. The typical applications of these paradigms frequently involve irregular computations, and make heavy use of dynamic data structures with pointers, since logical variables represent in practice a well-behaved form of pointers. This arguably makes the techniques used in these compilers potentially interesting. In this paper, we introduce in a tutoríal way, sorne of the problems faced by parallelizing compilers for logic and constraint programs and provide pointers to sorne of the significant progress made in the area. In particular, this work has resulted in a series of achievements in the areas of inter-procedural pointer aliasing analysis for independence detection, cost models and cost analysis, cactus-stack memory management, techniques for managing speculative and irregular computations through task granularity control and dynamic task allocation such as work-stealing schedulers), etc.

Automatic parallelization of irregular and pointer-based computations: perspectives from logic and constraint programming

Irregular computations pose some of the most interesting and challenging problems in automatic parallelization. Irregularity appears in certain kinds of numerical problems and is pervasive in symbolic applications. Such computations often use dynamic data structures which make heavy use of pointers. This complicates all the steps of a parallelizing compiler, from independence detection to task partitioning and placement. In the past decade there has been significant progress in the development of parallelizing compilers for logic programming and, more recently, constraint programming. The typical applications of these paradigms frequently involve irregular computations, which arguably makes the techniques used in these compilers potentially interesting. In this paper we introduce in a tutorial way some of the problems faced by parallelizing compilers for logic and constraint programs. These include the need for inter-procedural pointer aliasing analysis for independence detection and having to manage speculative and irregular computations through task granularity control and dynamic task allocation. We also provide pointers to some of the progress made in these áreas. In the associated talk we demónstrate representatives of several generations of these parallelizing compilers.

A segment-swapping approach for executing trapped computations

We consider the problem of supporting goal-level, independent andparallelism (IAP) in the presence of non-determinism. IAP is exploited when two or more goals which will not interfere at run time are scheduled for simultaneous execution. Backtracking over non-deterministic parallel goals runs into the wellknown trapped goal and garbage slot problems. The proposed solutions for these problems generally require complex low-level machinery which makes systems difficult to maintain and extend, and in some cases can even affect sequential execution performance. In this paper we propose a novel solution to the problem of trapped nondeterministic goals and garbage slots which is based on a single stack reordering operation and offers several advantages over previous proposals. While the implementation of this operation itself is not simple, in return it does not impose constraints on the scheduler. As a result, the scheduler and the rest of the run-time machinery can safely ignore the trapped goal and garbage slot problems and their implementation is greatly simplified. Also, standard sequential execution remains unaffected. In addition to describing the solution we report on an implementation and provide performance results. We also suggest other possible applications of the proposed approach beyond parallel execution.

Advances in global instability computations: from incompressible to hypersonic flow

Esta tesis constituye un gran avance en el conocimiento del estudio y análisis de inestabilidades hidrodinámicas desde un punto de vista físico y teórico, como consecuencia de haber desarrollado innovadoras técnicas para la resolución computacional eficiente y precisa de la parte principal del espectro correspondiente a los problemas de autovalores (EVP) multidimensionales que gobiernan la inestabilidad de flujos con dos o tres direcciones espaciales inhomogéneas, denominados problemas de estabilidad global lineal. En el contexto del trabajo de desarrollo de herramientas computacionales presentado en la tesis, la discretización mediante métodos de diferencias finitas estables de alto orden de los EVP bidimensionales y tridimensionales que se derivan de las ecuaciones de Navier-Stokes linealizadas sobre flujos con dos o tres direcciones espaciales inhomogéneas, ha permitido una aceleración de cuatro órdenes de magnitud en su resolución. Esta mejora de eficiencia numérica se ha conseguido gracias al hecho de que usando estos esquemas de diferencias finitas, técnicas eficientes de resolución de problemas lineales son utilizables, explotando el alto nivel de dispersión o alto número de elementos nulos en las matrices involucradas en los problemas tratados. Como más notable consecuencia cabe destacar que la resolución de EVPs multidimensionales de inestabilidad global, que hasta la fecha necesitaban de superordenadores, se ha podido realizar en ordenadores de sobremesa. Además de la solución de problemas de estabilidad global lineal, el mencionado desarrollo numérico facilitó la extensión de las ecuaciones de estabilidad parabolizadas (PSE) lineales y no lineales para analizar la inestabilidad de flujos que dependen fuertemente en dos direcciones espaciales y suavemente en la tercera con las ecuaciones de estabilidad parabolizadas tridimensionales (PSE-3D). Precisamente la capacidad de extensión del novedoso algoritmo PSE-3D para el estudio de interacciones no lineales de los modos de estabilidad, desarrollado íntegramente en esta tesis, permite la predicción de transición en flujos complejos de gran interés industrial y por lo tanto extiende el concepto clásico de PSE, el cuál ha sido empleado exitosamente durante las pasadas tres décadas en el mismo contexto para problemas de capa límite bidimensional. Típicos ejemplos de flujos incompresibles se han analizado en este trabajo sin la necesidad de recurrir a restrictivas presuposiciones usadas en el pasado. Se han estudiado problemas vorticales como es el caso de un vórtice aislado o sistemas de vórtices simulando la estela de alas, en los que la homogeneidad axial no se impone y así se puede considerar la difusión viscosa del flujo. Además, se ha estudiado el chorro giratorio turbulento, cuya inestabilidad se utiliza para mejorar las características de funcionamiento de combustores. En la tesis se abarcan adicionalmente problemas de flujos compresibles. Se presenta el estudio de inestabilidad de flujos de borde de ataque a diferentes velocidades de vuelo. También se analiza la estela formada por un elemento rugoso aislado en capa límite supersónica e hipersónica, mostrando excelentes comparaciones con resultados obtenidos mediante simulación numérica directa. Finalmente, nuevas inestabilidades se han identificado en el flujo hipersónico a Mach 7 alrededor de un cono elíptico que modela el vehículo de pruebas en vuelo HIFiRE-5. Los resultados comparan favorablemente con experimentos en vuelo, lo que subraya aún más el potencial de las metodologías de análisis de estabilidad desarrolladas en esta tesis. ABSTRACT The present thesis constitutes a step forward in advancing the frontiers of knowledge of fluid flow instability from a physical point of view, as a consequence of having been successful in developing groundbreaking methodologies for the efficient and accurate computation of the leading part of the spectrum pertinent to multi-dimensional eigenvalue problems (EVP) governing instability of flows with two or three inhomogeneous spatial directions. In the context of the numerical work presented in this thesis, the discretization of the spatial operator resulting from linearization of the Navier-Stokes equations around flows with two or three inhomogeneous spatial directions by variable-high-order stable finite-difference methods has permitted a speedup of four orders of magnitude in the solution of the corresponding two- and three-dimensional EVPs. This improvement of numerical performance has been achieved thanks to the high-sparsity level offered by the high-order finite-difference schemes employed for the discretization of the operators. This permitted use of efficient sparse linear algebra techniques without sacrificing accuracy and, consequently, solutions being obtained on typical workstations, as opposed to the previously employed supercomputers. Besides solution of the two- and three-dimensional EVPs of global linear instability, this development paved the way for the extension of the (linear and nonlinear) Parabolized Stability Equations (PSE) to analyze instability of flows which depend in a strongly-coupled inhomogeneous manner on two spatial directions and weakly on the third. Precisely the extensibility of the novel PSE-3D algorithm developed in the framework of the present thesis to study nonlinear flow instability permits transition prediction in flows of industrial interest, thus extending the classic PSE concept which has been successfully employed in the same context to boundary-layer type of flows over the last three decades. Typical examples of incompressible flows, the instability of which was analyzed in the present thesis without the need to resort to the restrictive assumptions used in the past, range from isolated vortices, and systems thereof, in which axial homogeneity is relaxed to consider viscous diffusion, as well as turbulent swirling jets, the instability of which is exploited in order to improve flame-holding properties of combustors. The instability of compressible subsonic and supersonic leading edge flows has been solved, and the wake of an isolated roughness element in a supersonic and hypersonic boundary-layer has also been analyzed with respect to its instability: excellent agreement with direct numerical simulation results has been obtained in all cases. Finally, instability analysis of Mach number 7 ow around an elliptic cone modeling the HIFiRE-5 flight test vehicle has unraveled flow instabilities near the minor-axis centerline, results comparing favorably with flight test predictions.

Uso de DES y RANS no estacionario para la simulación del flujo alrededor de una carena Wigley - Use of Unsteady RANS and DES to simulate flows around a Wigley Hull)

Computer Fluid Dynamics tools have already become a valuable instrument for Naval Architects during the ship design process, thanks to their accuracy and the available computer power. Unfortunately, the development of RANSE codes, generally used when viscous effects play a major role in the flow, has not reached a mature stage, being the accuracy of the turbulence models and the free surface representation the most important sources of uncertainty. Another level of uncertainty is added when the simulations are carried out for unsteady flows, as those generally studied in seakeeping and maneuvering analysis and URANS equations solvers are used. Present work shows the applicability and the benefits derived from the use of new approaches for the turbulence modeling (Detached Eddy Simulation) and the free surface representation (Level Set) on the URANS equations solver CFDSHIP-Iowa. Compared to URANS, DES is expected to predict much broader frequency contents and behave better in flows where boundary layer separation plays a major role. Level Set methods are able to capture very complex free surface geometries, including breaking and overturning waves. The performance of these improvements is tested in set of fairly complex flows, generated by a Wigley hull at pure drift motion, with drift angle ranging from 10 to 60 degrees and at several Froude numbers to study the impact of its variation. Quantitative verification and validation are performed with the obtained results to guarantee their accuracy. The results show the capability of the CFDSHIP-Iowa code to carry out time-accurate simulations of complex flows of extreme unsteady ship maneuvers. The Level Set method is able to capture very complex geometries of the free surface and the use of DES in unsteady simulations highly improves the results obtained. Vortical structures and instabilities as a function of the drift angle and Fr are qualitatively identified. Overall analysis of the flow pattern shows a strong correlation between the vortical structures and free surface wave pattern. Karman-like vortex shedding is identified and the scaled St agrees well with the universal St value. Tip vortices are identified and the associated helical instabilities are analyzed. St using the hull length decreases with the increase of the distance along the vortex core (x), which is similar to results from other simulations. However, St scaled using distance along the vortex cores shows strong oscillations compared to almost constants for those previous simulations. The difference may be caused by the effect of the free-surface, grid resolution, and interaction between the tip vortex and other vortical structures, which needs further investigations. This study is exploratory in the sense that finer grids are desirable and experimental data is lacking for large α, especially for the local flow. More recently, high performance computational capability of CFDSHIP-Iowa V4 has been improved such that large scale computations are possible. DES for DTMB 5415 with bilge keels at α = 20º were conducted using three grids with 10M, 48M and 250M points. DES analysis for flows around KVLCC2 at α = 30º is analyzed using a 13M grid and compared with the results of DES on the 1.6M grid by. Both studies are consistent with what was concluded on grid resolution herein since dominant frequencies for shear-layer, Karman-like, horse-shoe and helical instabilities only show marginal variation on grid refinement. The penalties of using coarse grids are smaller frequency amplitude and less resolved TKE. Therefore finer grids should be used to improve V&V for resolving most of the active turbulent scales for all different Fr and α, which hopefully can be compared with additional EFD data for large α when it becomes available.

Integrated program debugging, verification, and optimization using abstract interpretation (and the Ciao system preprocessor)

The technique of Abstract Interpretation has allowed the development of very sophisticated global program analyses which are at the same time provably correct and practical. We present in a tutorial fashion a novel program development framework which uses abstract interpretation as a fundamental tool. The framework uses modular, incremental abstract interpretation to obtain information about the program. This information is used to validate programs, to detect bugs with respect to partial specifications written using assertions (in the program itself and/or in system libraries), to generate and simplify run-time tests, and to perform high-level program transformations such as multiple abstract specialization, parallelization, and resource usage control, all in a provably correct way. In the case of validation and debugging, the assertions can refer to a variety of program points such as procedure entry, procedure exit, points within procedures, or global computations. The system can reason with much richer information than, for example, traditional types. This includes data structure shape (including pointer sharing), bounds on data structure sizes, and other operational variable instantiation properties, as well as procedure-level properties such as determinacy, termination, nonfailure, and bounds on resource consumption (time or space cost). CiaoPP, the preprocessor of the Ciao multi-paradigm programming system, which implements the described functionality, will be used to illustrate the fundamental ideas.

Parallel execution of Prolog programs: a survey

Since the early days of logic programming, researchers in the field realized the potential for exploitation of parallelism present in the execution of logic programs. Their high-level nature, the presence of nondeterminism, and their referential transparency, among other characteristics, make logic programs interesting candidates for obtaining speedups through parallel execution. At the same time, the fact that the typical applications of logic programming frequently involve irregular computations, make heavy use of dynamic data structures with logical variables, and involve search and speculation, makes the techniques used in the corresponding parallelizing compilers and run-time systems potentially interesting even outside the field. The objective of this article is to provide a comprehensive survey of the issues arising in parallel execution of logic programming languages along with the most relevant approaches explored to date in the field. Focus is mostly given to the challenges emerging from the parallel execution of Prolog programs. The article describes the major techniques used for shared memory implementation of Or-parallelism, And-parallelism, and combinations of the two. We also explore some related issues, such as memory management, compile-time analysis, and execution visualization.

Radiative properties for warm and hot dense matter

We will present calculations of opacities for matter under LTE conditions. Opacities are needed in radiation transport codes to study processes like Inertial Confinement Fusion and plasma amplifiers in X-ray secondary sources. For the calculations we use the code BiGBART, with either a hydrogenic approximation with j-splitting or self-consistent data generated with the atomic physics code FAC. We calculate the atomic structure, oscillator strengths, radiative transition energies, including UTA computations, and photoionization cross-sections. A DCA model determines the configurations considered in the computation of the opacities. The opacities obtained with these two models are compared with experimental measurements.

Numerical simulation of the upward propagation of a flame in a vertical tube filled with a very lean mixture.

Upwardpropagation of a premixed flame in averticaltubefilled with a very leanmixture is simulated numerically using a single irreversible Arrhenius reaction model with infinitely high activation energy. In the absence of heat losses and preferential diffusion effects, a curved flame with stationary shape and velocity close to those of an open bubble ascending in the same tube is found for values of the fuel mass fraction above a certain minimum that increases with the radius of the tube, while the numerical computations cease to converge to a stationary solution below this minimum mass fraction. The vortical flow of the gas behind the flame and in its transport region is described for tubes of different radii. It is argued that this flow may become unstable when the fuel mass fraction is decreased, and that this instability, together with the flame stretch due to the strong curvature of the flame tip in narrow tubes, may be responsible for the minimum fuel mass fraction. Radiation losses and a Lewis number of the fuel slightly above unity decrease the final combustion temperature at the flame tip and increase the minimum fuel mass fraction, while a Lewis number slightly below unity has the opposite effect.

Tranversal motion and flow structure of fully nonlinear streaks in a laminar boundary layer

Typical streak computations present in the literature correspond to linear streaks or to small amplitude nonlinear streaks computed using DNS or nonlinear PSE. We use the Reduced Navier-Stokes (RNS) equations to compute the streamwise evolution of fully non-linear streaks with high amplitude in a laminar flat plate boundary layer. The RNS formulation provides Reynolds number independent solutions that are asymptotically exact in the limit $Re \gg 1$, it requires much less computational effort than DNS, and it does not have the consistency and convergence problems of the PSE. We present various streak computations to show that the flow configuration changes substantially when the amplitude of the streaks grows and the nonlinear effects come into play. The transversal motion (in the wall normal-streamwise plane) becomes more important and strongly distorts the streamwise velocity profiles, that end up being quite different from those of the linear case. We analyze in detail the resulting flow patterns for the nonlinearly saturated streaks and compare them with available experimental results.

Effect of Aspect Ratio on the Three-Dimensional Global Instability Analysis of Incompressible Open Cavity Flows

The stability analysis of open cavity flows is a problem of great interest in the aeronautical industry. This type of flow can appear, for example, in landing gears or auxiliary power unit configurations. Open cavity flows is very sensitive to any change in the configuration, either physical (incoming boundary layer, Reynolds or Mach numbers) or geometrical (length to depth and length to width ratio). In this work, we have focused on the effect of geometry and of the Reynolds number on the stability properties of a threedimensional spanwise periodic cavity flow in the incompressible limit. To that end, BiGlobal analysis is used to investigate the instabilities in this configuration. The basic flow is obtained by the numerical integration of the Navier-Stokes equations with laminar boundary layers imposed upstream. The 3D perturbation, assumed to be periodic in the spanwise direction, is obtained as the solution of the global eigenvalue problem. A parametric study has been performed, analyzing the stability of the flow under variation of the Reynolds number, the L/D ratio of the cavity, and the spanwise wavenumber β. For consistency, multidomain high order numerical schemes have been used in all the computations, either basic flow or eigenvalue problems. The results allow to define the neutral curves in the range of L/D = 1 to L/D = 3. A scaling relating the frequency of the eigenmodes and the length to depth ratio is provided, based on the analysis results.

Removing superfluous versions in polyvariant specialization of prolog programs.

Polyvariant specialization allows generating múltiple versions of a procedure, which can then be separately optimized for different uses. Since allowing a high degree of polyvariance often results in more optimized code, polyvariant specializers, such as most partial evaluators, can genérate a large number of versions. This can produce unnecessarily large residual programs. Also, large programs can be slower due to cache miss effects. A possible solution to this problem is to introduce a minimization step which identifies sets of equivalent versions, and replace all occurrences of such versions by a single one. In this work we present a unifying view of the problem of superfluous polyvariance. It includes both partial deduction and abstract múltiple specialization. As regards partial deduction, we extend existing approaches in several ways. First, previous work has dealt with puré logic programs and a very limited class of builtins. Herein we propose an extensión to traditional characteristic trees which can be used in the presence of calis to external predicates. This includes all builtins, librarles, other user modules, etc. Second, we propose the possibility of collapsing versions which are not strictly equivalent. This allows trading time for space and can be useful in the context of embedded and pervasive systems. This is done by residualizing certain computations for external predicates which would otherwise be performed at specialization time. Third, we provide an experimental evaluation of the potential gains achievable using minimization which leads to interesting conclusions.

A generic framework for the analysis and specialization of kogic programs

The relationship between abstract interpretation [2] and partial evaluation [5] has received considerable attention and (partial) integrations have been proposed starting from both the partial deduction (see e.g. [6] and its references) and abstract interpretation perspectives. Abstract interpretation-based analyzers (such as the CiaoPP analyzer [9,4]) generally compute a program analysis graph [1] in order to propagate (abstract) call and success information by performing fixpoint computations when needed. On the other hand, partial deduction methods [7] incorporate powerful techniques for on-line specialization including (concrete) call propagation and unfolding.

Lower bound cost estimation for logic programs

It is generally recognized that information about the runtime cost of computations can be useful for a variety of applications, including program transformation, granularity control during parallel execution, and query optimization in deductive databases. Most of the work to date on compile-time cost estimation of logic programs has focused on the estimation of upper bounds on costs. However, in many applications, such as parallel implementations on distributed-memory machines, one would prefer to work with lower bounds instead. The problem with estimating lower bounds is that in general, it is necessary to account for the possibility of failure of head unification, leading to a trivial lower bound of 0. In this paper, we show how, given type and mode information about procedures in a logic program, it is possible to (semi-automatically) derive nontrivial lower bounds on their computational costs. We also discuss the cost analysis for the special and frequent case of divide-and-conquer programs and show how —as a pragmatic short-term solution —it may be possible to obtain useful results simply by identifying and treating divide-and-conquer programs specially.