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At least 1,621 records · Page 90

A Demonstration of ARCANE Reweighting: Reducing the Sign Problem in the MC@NLO Generation of $e^+ e^- \rightarrow q \bar{q} + 1\, jet$ Events

Negatively weighted events, which appear in the simulation of particle collisions, significantly increase the computational requirements of collider experiments. A new technique called ARCANE reweighting has been introduced in a companion paper to tackle this problem. This paper demonstrates the technique for the next-to-leading-order generation of $e^+ e^- \rightarrow q \bar{q} + 1\, jet$ events. By redistributing the contributions of "standard" and "hard remainder" pathways in the generator that lead to the same final event, ARCANE reweighting almost completely eliminates the negative weights problem for this process. Some thoughts on implementing the technique in other scenarios are provided.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Simulating Alpha Particles Incident on MKID Chips for Quantum Sensitivity Analysis

Superconducting quantum devices, such as microwave kinetic inductance detectors (MKIDs), are highly sensitive instruments used in quantum computing and advanced sensing technologies. However, their extreme sensitivity also makes them vulnerable to background noise from natural sources like radiation. One significant contributor to this noise is alpha particles emitted by 210Po, a radon decay daughter that accumulates on surfaces near the detector. This project investigates how alpha particles emitted from 210Po interact with MKID chips. These particles can deposit energy on the detector surface, disrupting its operation and generating false signals. Understanding the energy and behavior of these particles is crucial for improving the design and reliability of quantum devices. To explore this, we first modeled the decay chain starting from 210Pb to 210Po using differential equations. This allowed us to predict how the activity of alpha-emitting isotopes changes over time, reaching a steady state after about two years. Next, we simulated alpha particle interactions with the MKID chip using the Geant4 software toolkit. We built a detailed computer model of the detector housing, including the copper lid where alpha particles originate, the silicon chip, and a thin aluminum sensor layer. Alpha particles were emitted isotropically from just beneath the copper lid’s surface, mimicking natural decay conditions. The simulation tracked how these particles deposit energy on the chip, generating electron-hole pairs and phonons. The results provide insight into the behavior of the resultant electron-hole pairs and phonons, giving us a clear understanding of the energy deposition distribution on the chip. This work supports efforts to mitigate background noise in superconducting sensors, advancing their use in quantum computing and sensitive physics experiments.

Hall, Matthew [Fermilab; UCLA]↗

AI/ML Expo Boosting Job Performance with AI: Innovative Approaches and Success Stories

Our technology leverages artificial intelligence (AI) to enhance the user experience in High Performance Computing (HPC) environments. By analyzing user behavior and providing personalized recommendations, our AI system helps HPC users optimize their workflows and improve productivity. Additionally, we offer an advanced image similarity search feature, which utilizes AI algorithms to identify and retrieve visually similar images, saving users valuable time and effort in their research and analysis.

97 - MATHEMATICS AND COMPUTING↗

INTERSECT Architecture Specification: Use Case Design Patterns (V.0.9)

Connecting scientific instruments and robot-controlled laboratories with computing and data resources at the edge, the Cloud or the high-performance computing (HPC) center enables autonomous experiments, self-driving laboratories, smart manufacturing, and artificial intelligence (AI)-driven design, discovery and evaluation. The Self-driven Experiments for Science / Interconnected Science Ecosystem (INTERSECT) Open Architecture enables science breakthroughs using intelligent networked systems, instruments and facilities with a federated hardware/software architecture for the laboratory of the future. It relies on a novel approach, consisting of (1) science use case design patterns, (2) a system of systems architecture, and (3) a microservice architecture. This document introduces the science use case design patterns of the INTERSECT Architecture. It describes the overall background, the involved terminology and concepts, and the pattern format and classification. It further details the 12 defined patterns and provides insight into building solutions from these patterns. The document also describes the application of these patterns in the context of several INTERSECT autonomous laboratories. The target audience are computer, computational, instrument and domain science experts working in the field of autonomous experiments.

97 MATHEMATICS AND COMPUTING↗

Supersonic Combusting Jet Experiments for Code Development and Validation

Computational fluid dynamics (CFD) methods based on the Reynolds averaged Navier-Stokes (RANS) equations are extensively employed in the design of hypersonic airbreathing engines. A fundamental weakness in these methods is the accurate mathematical modeling of turbulence and turbulence-combustion interactions. This paper is one of a companion pair of papers which describe the use of the combined dual pump CARS and newly developed interferometric Rayleigh scattering optical system to acquire time-accurate turbulence and mixing data with which to aid calibration and verification of the current turbulence models. This test program consisted of a pilot laboratory-scale experiment used to develop the optical system and data acquisition techniques, and a significantly larger experiment to acquire the necessary turbulence data. The flow is an axially-symmetric, supersonic, combusting, free jet that provides good optical access, consisting of a central jet of hot "vitiated air" and a coflow jet of hydrogen or ethylene fuel. In this paper the development of both experiments is described. Facility and flow visualization data are presented for various types of flames, including the flames selected for detailed study with the CARS/Rayleigh optical techniques.

Cutler, Andrew D.↗

The Adjoint Petrov–Galerkin method for non-linear model reduction

Here, we formulate a new projection-based reduced-order modeling technique for non-linear dynamical systems. The proposed technique, which we refer to as the Adjoint Petrov–Galerkin (APG) method, is derived by decomposing the generalized coordinates of a dynamical system into a resolved coarse-scale set and an unresolved fine-scale set. A Markovian finite memory assumption within the Mori–Zwanzig formalism is then used to develop a reduced-order representation of the coarse scales. This procedure leads to a closed reduced-order model that displays commonalities with the adjoint stabilization method used in finite elements. The formulation is shown to be equivalent to a Petrov–Galerkin method with a non-linear, time-varying test basis, thus sharing some similarities with the Least-Squares Petrov–Galerkin method. Theoretical analysis examining a priori error bounds and computational cost is presented. Numerical experiments on the compressible Navier–Stokes equations demonstrate that the proposed method can lead to improvements in numerical accuracy, robustness, and computational efficiency over the Galerkin method on problems of practical interest. Improvements in numerical accuracy and computational efficiency over the Least-Squares Petrov–Galerkin method are observed in most cases.

42 ENGINEERING↗

Fast Bayesian optimization of Needle-in-a-Haystack problems using zooming memory-based initialization (ZoMBI)

Abstract Needle-in-a-Haystack problems exist across a wide range of applications including rare disease prediction, ecological resource management, fraud detection, and material property optimization. A Needle-in-a-Haystack problem arises when there is an extreme imbalance of optimum conditions relative to the size of the dataset. However, current state-of-the-art optimization algorithms are not designed with the capabilities to find solutions to these challenging multidimensional Needle-in-a-Haystack problems, resulting in slow convergence or pigeonholing into a local minimum. In this paper, we present a Zooming Memory-Based Initialization algorithm, entitled ZoMBI, that builds on conventional Bayesian optimization principles to quickly and efficiently optimize Needle-in-a-Haystack problems in both less time and fewer experiments. The ZoMBI algorithm demonstrates compute time speed-ups of 400× compared to traditional Bayesian optimization as well as efficiently discovering optima in under 100 experiments that are up to 3× more highly optimized than those discovered by similar methods.

36 MATERIALS SCIENCE↗

Trace: a high-throughput tomographic reconstruction engine for large-scale datasets

Abstract Background Modern synchrotron light sources and detectors produce data at such scale and complexity that large-scale computation is required to unleash their full power. One of the widely used imaging techniques that generates data at tens of gigabytes per second is computed tomography (CT). Although CT experiments result in rapid data generation, the analysis and reconstruction of the collected data may require hours or even days of computation time with a medium-sized workstation, which hinders the scientific progress that relies on the results of analysis. Methods We present Trace, a data-intensive computing engine that we have developed to enable high-performance implementation of iterative tomographic reconstruction algorithms for parallel computers. Trace provides fine-grained reconstruction of tomography datasets using both (thread-level) shared memory and (process-level) distributed memory parallelization. Trace utilizes a special data structure called replicated reconstruction object to maximize application performance. We also present the optimizations that we apply to the replicated reconstruction objects and evaluate them using tomography datasets collected at the Advanced Photon Source. Results Our experimental evaluations show that our optimizations and parallelization techniques can provide 158× speedup using 32 compute nodes (384 cores) over a single-core configuration and decrease the end-to-end processing time of a large sinogram (with 4501 × 1 × 22,400 dimensions) from 12.5 h to <5 min per iteration. Conclusion The proposed tomographic reconstruction engine can efficiently process large-scale tomographic data using many compute nodes and minimize reconstruction times.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

A grid-embedding transonic flow analysis computer program for wing/nacelle configurations

An efficient grid-interfacing zonal algorithm was developed for computing the three-dimensional transonic flow field about wing/nacelle configurations. the algorithm uses the full-potential formulation and the AF2 approximate factorization scheme. The flow field solution is computed using a component-adaptive grid approach in which separate grids are employed for the individual components in the multi-component configuration, where each component grid is optimized for a particular geometry such as the wing or nacelle. The wing and nacelle component grids are allowed to overlap, and flow field information is transmitted from one grid to another through the overlap region using trivariate interpolation. This report represents a discussion of the computational methods used to generate both the wing and nacelle component grids, the technique used to interface the component grids, and the method used to obtain the inviscid flow solution. Computed results and correlations with experiment are presented. also presented are discussions on the organization of the wing grid generation (GRGEN3) and nacelle grid generation (NGRIDA) computer programs, the grid interface (LK) computer program, and the wing/nacelle flow solution (TWN) computer program. Descriptions of the respective subroutines, definitions of the required input parameters, a discussion on interpretation of the output, and the sample cases illustrating application of the analysis are provided for each of the four computer programs.

Atta, E. H.↗

Computational chemistry

With the advent of supercomputers, modern computational chemistry algorithms and codes, a powerful tool was created to help fill NASA's continuing need for information on the properties of matter in hostile or unusual environments. Computational resources provided under the National Aerodynamics Simulator (NAS) program were a cornerstone for recent advancements in this field. Properties of gases, materials, and their interactions can be determined from solutions of the governing equations. In the case of gases, for example, radiative transition probabilites per particle, bond-dissociation energies, and rates of simple chemical reactions can be determined computationally as reliably as from experiment. The data are proving to be quite valuable in providing inputs to real-gas flow simulation codes used to compute aerothermodynamic loads on NASA's aeroassist orbital transfer vehicles and a host of problems related to the National Aerospace Plane Program. Although more approximate, similar solutions can be obtained for ensembles of atoms simulating small particles of materials with and without the presence of gases. Computational chemistry has application in studying catalysis, properties of polymers, all of interest to various NASA missions, including those previously mentioned. In addition to discussing these applications of computational chemistry within NASA, the governing equations and the need for supercomputers for their solution is outlined.

Arnold, J. O.↗

A unified lunar control network - The near side

A unified lunar control network for the moon's near side, which combines all the data collected by the Lunokhod 2 and Apollo 11, 14, 15, 16, and 17 missions, is presented. Transformations involving translation, rotation, and scale were determined that adjusted the coordinates of the points of three Apollo control networks, computed previously, to the center of mass origin and the mean earth/polar axis coordinate system defined by the lunar ranging retroreflector experiment. The transformed control network computed by the Defense Mapping Agency Aerospace Center was found to be the best fit to the Apollo ALSEP antenna coordinates and was selected as a base to transform all points in Meyer's (1979) telescopic network to the new origin and coordinate system. New coordinates of 1156 of these points are given as are 10 points from a Mariner 10 solution in the north polar region.

Davies, Merton E.↗

Investigation of a hypersonic crossing shock wave/turbulent boundary layer interaction

A combined theoretical and experimental study is presented for the interaction between crossing shock waves generated by (10 deg, 10 deg) sharp fins and a flat plate turbulent boundary layer at Mach 8.3. The theoretical model is the full 3D mean compressible Reynolds-averaged Navier-Stokes (RANS) equations incorporating the algebraic turbulent eddy viscosity model of Baldwin and Lomax (1978). A grid refinement study indicated that adequate resolution of the flow field has been achieved. Computed results agree well with experiment for surface pressure and surface flow patterns and for pitot pressure and yaw angle profiles in the flow field. The computations, however, significantly overpredict surface heat transfer. Analysis of the computed flow field results indicates the formation of complex streamline and wave structures within the interaction region.

Narayanswami, N↗

Results of a laboratory experiment that tests rotating unbalanced-mass devices for scanning gimbaled payloads and free-flying spacecraft

Rotating unbalanced-mass (RUM) devices are a new way to scan space-based, balloon-borne, and ground-based gimbaled payloads, like x-ray and gamma-ray telescopes. They can also be used to scan free-flying spacecraft. Circular scans, linear scans, and raster scans can be generated. A pair of RUM devices generates the basic scan motion and an auxiliary control system using torque motors, control moment gyros, or reaction wheels keeps the scan centered on the target and produces some complementary motion for raster scanning. Previous analyses and simulation results show that this approach offers significant power savings compared to scanning only with the auxiliary control system, especially with large payloads and high scan frequencies. However, these claims have never been proven until now. This paper describes a laboratory experiment which tests the concept of scanning a gimbaled payload with RUM devices. A description of the experiment is given and test results that prove the concept are presented. The test results are compared with those from a computer simulation model of the experiment and the differences are discussed.

Alhorn, D. C.↗

Progress on Understanding Rayleigh–Taylor Flow and Mixing Using Synergy Between Simulation, Modeling, and Experiment

Simultaneous advances in numerical methods and computing, theoretical techniques, and experimental diagnostics have all led independently to better understanding of Rayleigh–Taylor (RT) instability, turbulence, and mixing. In particular, experiments have provided significant motivation for many simulation and modeling studies, as well as validation data. Numerical simulations have also provided data that is not currently measurable or very difficult to measure accurately in RT unstable flows. Thus, simulations have also motivated new measurements in this class of buoyancy-driven flows. This overview discusses simulation and modeling studies synergistic with experiments and examples of how experiments have motivated simulations and models of RT instability, flow, and mixing. First, a brief summary of measured experimental and calculated simulation quantities, of experimental approaches, and of issues and challenges in the simulation and modeling of RT experiments is presented. Implicit large-eddy, direct numerical, and large-eddy simulations validated using RT experimental data are then discussed. This is followed by a discussion of modeling using analytical, modal, buoyancy–drag, and turbulent transport models of RT mixing experiments. The discussion will focus on three-dimensional RT mixing arising from multimode perturbations. Finally, this focused review concludes with a perspective on future simulation, modeling, and experimental directions for further research. Research in simulation and modeling of RT unstable flows, coupled with experiments, has made significant progress over the past several decades. This overview serves as an opportunity to both discuss progress and to stimulate future research on simulation and modeling of this unique class of hydrodynamically unstable turbulent flows.

42 ENGINEERING↗

Self-Pressurization and Spray Cooling Simulations of the Multipurpose Hydrogen Test Bed (MHTB) Ground-Based Experiment

This paper presents a CFD (computational fluid dynamics) model for simulating the self-pressurization of a large scale liquid hydrogen storage tank. In this model, the kinetics-based Schrage equation is used to account for the evaporative and condensing interfacial mass flows. Laminar and turbulent approaches to modeling natural convection in the tank and heat and mass transfer at the interface are compared. The flow, temperature, and interfacial mass fluxes predicted by these two approaches during tank self-pressurization are compared against each other. The ullage pressure and vapor temperature evolutions are also compared against experimental data obtained from the MHTB (Multipuprpose Hydrogen Test Bed) self-pressurization experiment. A CFD model for cooling cryogenic storage tanks by spraying cold liquid in the ullage is also presented. The Euler- Lagrange approach is utilized for tracking the spray droplets and for modeling interaction between the droplets and the continuous phase (ullage). The spray model is coupled with the VOF (volume of fluid) model by performing particle tracking in the ullage, removing particles from the ullage when they reach the interface, and then adding their contributions to the liquid. Droplet ullage heat and mass transfer are modeled. The flow, temperature, and interfacial mass flux predicted by the model are presented. The ullage pressure is compared with experimental data obtained from the MHTB spray bar mixing experiment. The results of the models with only droplet/ullage heat transfer and with heat and mass transfer between the droplets and ullage are compared.

cryogenic fluid storage↗

Analyzing How We Do Analysis and Consume Data, Results from the SciDAC-Data Project

One of the main goals of the Dept. of Energy funded SciDAC-Data project is to analyze the more than 410,000 high energy physics datasets that have been collected, generated and defined over the past two decades by experiments using the Fermilab storage facilities. These datasets have been used as the input to over 5.6 million recorded analysis projects, for which detailed analytics have been gathered. The analytics and meta information for these datasets and analysis projects are being combined with knowledge of their part of the HEP analysis chains for major experiments to understand how modern computing and data delivery is being used. We present the first results of this project, which examine in detail how the CDF, D0, NOvA, MINERvA and MicroBooNE experiments have organized, classified and consumed petascale datasets to produce their physics results. The results include analysis of the correlations in dataset/file overlap, data usage patterns, data popularity, dataset dependency and temporary dataset consumption. The results provide critical insight into how workflows and data delivery schemes can be combined with different caching strategies to more efficiently perform the work required to mine these large HEP data volumes and to understand the physics analysis requirements for the next generation of HEP computing facilities. In particular we present a detailed analysis of the NOvA data organization and consumption model corresponding to their first and second oscillation results (2014-2016) and the first look at the analysis of the Tevatron Run II experiments. We present statistical distributions for the characterization of these data and data driven models describing their consumption

Ding, P.↗

Three-Dimensional Effects on Multi-Element High Lift Computations

In an effort to discover the causes for disagreement between previous 2-D computations and nominally 2-D experiment for flow over the 3-clement McDonnell Douglas 30P-30N airfoil configuration at high lift, a combined experimental/CFD investigation is described. The experiment explores several different side-wall boundary layer control venting patterns, document's venting mass flow rates, and looks at corner surface flow patterns. The experimental angle of attack at maximum lift is found to be sensitive to the side wall venting pattern: a particular pattern increases the angle of attack at maximum lift by at least 2 deg. A significant amount of spanwise pressure variation is present at angles of attack near maximum lift. A CFD study using 3-D structured-grid computations, which includes the modeling of side-wall venting, is employed to investigate 3-D effects of the flow. Side-wall suction strength is found to affect the angle at which maximum lift is predicted. Maximum lift in the CFD is shown to be limited by the growth of all off-body corner flow vortex and consequent increase in spanwise pressure variation and decrease in circulation. The 3-D computations with and without wall venting predict similar trends to experiment at low angles of attack, but either stall too earl or else overpredict lift levels near maximum lift by as much as 5%. Unstructured-grid computations demonstrate that mounting brackets lower die the levels near maximum lift conditions.

Rumsey, Christopher L.↗

Three-Dimensional Effects in Multi-Element High Lift Computations

In an effort to discover the causes for disagreement between previous two-dimensional (2-D) computations and nominally 2-D experiment for flow over the three-element McDonnell Douglas 30P-30N airfoil configuration at high lift, a combined experimental/CFD investigation is described. The experiment explores several different side-wall boundary layer control venting patterns, documents venting mass flow rates, and looks at corner surface flow patterns. The experimental angle of attack at maximum lift is found to be sensitive to the side-wall venting pattern: a particular pattern increases the angle of attack at maximum lift by at least 2 deg. A significant amount of spanwise pressure variation is present at angles of attack near maximum lift. A CFD study using three-dimensional (3-D) structured-grid computations, which includes the modeling of side-wall venting, is employed to investigate 3-D effects on the flow. Side-wall suction strength is found to affect the angle at which maximum lift is predicted. Maximum lift in the CFD is shown to be limited by the growth of an off-body corner flow vortex and consequent increase in spanwise pressure variation and decrease in circulation. The 3-D computations with and without wall venting predict similar trends to experiment at low angles of attack, but either stall too early or else overpredict lift levels near maximum lift by as much as 5%. Unstructured-grid computations demonstrate that mounting brackets lower the lift levels near maximum lift conditions.

Rumsey, Christopher L.↗