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At least 343 records · Page 19

Educational NASA Computational and Scientific Studies (enCOMPASS)

Educational NASA Computational and Scientific Studies (enCOMPASS) is an educational project of NASA Goddard Space Flight Center aimed at bridging the gap between computational objectives and needs of NASA's scientific research, missions, and projects, and academia's latest advances in applied mathematics and computer science. enCOMPASS achieves this goal via bidirectional collaboration and communication between NASA and academia. Using developed NASA Computational Case Studies in university computer science/engineering and applied mathematics classes is a way of addressing NASA's goals of contributing to the Science, Technology, Education, and Math (STEM) National Objective. The enCOMPASS Web site at http://encompass.gsfc.nasa.gov provides additional information. There are currently nine enCOMPASS case studies developed in areas of earth sciences, planetary sciences, and astrophysics. Some of these case studies have been published in AIP and IEEE's Computing in Science and Engineering magazines. A few university professors have used enCOMPASS case studies in their computational classes and contributed their findings to NASA scientists. In these case studies, after introducing the science area, the specific problem, and related NASA missions, students are first asked to solve a known problem using NASA data and past approaches used and often published in a scientific/research paper. Then, after learning about the NASA application and related computational tools and approaches for solving the proposed problem, students are given a harder problem as a challenge for them to research and develop solutions for. This project provides a model for NASA scientists and engineers on one side, and university students, faculty, and researchers in computer science and applied mathematics on the other side, to learn from each other's areas of work, computational needs and solutions, and the latest advances in research and development. This innovation takes NASA science and engineering applications to computer science and applied mathematics university classes, and makes NASA objectives part of the university curricula. There is great potential for growth and return on investment of this program to the point where every major university in the U.S. would use at least one of these case studies in one of their computational courses, and where every NASA scientist and engineer facing a computational challenge (without having resources or expertise to solve it) would use enCOMPASS to formulate the problem as a case study, provide it to a university, and get back their solutions and ideas.

Memarsadeghi, Nargess↗

$\mathrm{D}$ark$\mathrm{F}$lux: A new tool to analyze indirect-detection spectra of next-generation dark matter models

Here we present DarkFlux, a software tool designed to analyze indirect-detection signatures for next-generation models of dark matter (DM) with multiple annihilation channels. Version 1.0 of this tool accepts user-generated models with 2→2 tree-level dark matter annihilation to pairs of Standard Model (SM) particles and analyzes DM annihilation to γ rays. The tool consists of three modules, which can be run in a loop in order to scan over DM mass if desired: The annihilation fraction module calls an internal installation of MadDM, a dark matter phenomenology plugin for the Monte Carlo event generator MadGraph5 _ aMC@NLO, to compute the thermally averaged cross section $\langle σv\rangle_i$ for each annihilation channel $χχ$ ($\bar{χ}$,$χ^†$)→ i $\∈{SM, SM}. . The module then computes the fractional annihilation rate (annihilation fraction) into each channel. The flux module combines the flux spectrum from each annihilation channel, weighted by the appropriate annihilation fractions, to compute the total flux at Earth due to DM annihilation. In DarkFlux v1.0, this module specifically computes the γ-ray flux for each channel using the publicly available PPPC4DMID tables. The analysis module compares the total flux to observational data and computes the upper limit at 95% confidence level (CL) on the total thermally averaged DM annihilation cross section. In DarkFlux v1.0, this module compares the total γ-ray flux to a joint-likelihood analysis of fifteen dwarf spheroidal galaxies (dSphs) analyzed by the Fermi-LAT collaboration. DarkFlux v1.0 automatically provides data tables and can plot the output of these three modules. In this manual, we briefly motivate this indirect-detection computer tool and review the essential DM physics. We then describe the several modules of DarkFlux in greater detail. Finally, we show how to install and run DarkFlux and provide two worked examples demonstrating its capabilities.

79 ASTRONOMY AND ASTROPHYSICS↗

Inlets, ducts, and nozzles

The internal fluid mechanics research program in inlets, ducts, and nozzles consists of a balanced effort between the development of computational tools (both parabolized Navier-Stokes and full Navier-Stokes) and the conduct of experimental research. The experiments are designed to better understand the fluid flow physics, to develop new or improved flow models, and to provide benchmark quality data sets for validation of the computational methods. The inlet, duct, and nozzle research program is described according to three major classifications of flow phenomena: (1) highly 3-D flow fields; (2) shock-boundary-layer interactions; and (3) shear layer control. Specific examples of current and future elements of the research program are described for each of these phenomenon. In particular, the highly 3-D flow field phenomenon is highlighted by describing the computational and experimental research program in transition ducts having a round-to-rectangular area variation. In the case of shock-boundary-layer interactions, the specific details of research for normal shock-boundary-layer interactions are described. For shear layer control, research in vortex generators and the use of aerodynamic excitation for enhancement of the jet mixing process are described.

Abbott, John M.↗

Ongoing Aeroelastic Prediction and Validation Activities at NASA Langley Research Center

Current and future transonic aircraft concepts of interest to NASA may be susceptible to complex aeroelastic failure mechanisms that are difficult for computational tools to adequately predict. As such, a direct accounting of transonic flutter behavior has not historically been conducted at early design stages, where problems are less expensive to address. This paper summarizes efforts within NASA Langley's Aeroelasticity Branch to improve this situation, through advancements in computational prediction and optimization of transonic flutter behavior, in addition to planned wind tunnel tests aimed at providing a greater wealth of experimental data to validate predictions.

Bret K Stanford↗

An Implicit Approach to Phase Field Modeling of Solidification for Additively Manufactured Alloys [Slides]

We are leveraging modern algorithms and computational science to provide a route to predictive simulation of microstructure evolution on emerging exascale architectures. We are utilizing the fastest supercomputers in the world for modeling and simulation of microstructure evolution for generation of data under AM conditions. Solidification conditions in AM can be tailored for the reliable design of materials to specific performance requirements. Developing computational tools to further characterize alloys and correlate the processing-structure-properties-performance (PSPP) relationship.

36 MATERIALS SCIENCE↗

Ensuring thermodynamic consistency with invertible coarse-graining

Coarse-grained models are a core computational tool in theoretical chemistry and biophysics. A judicious choice of a coarse-grained model can yield physical insights by isolating the essential degrees of freedom that dictate the thermodynamic properties of a complex, condensed-phase system. The reduced complexity of the model typically leads to lower computational costs and more efficient sampling compared with atomistic models. Designing “good” coarse-grained models is an art. Generally, the mapping from fine-grained configurations to coarse-grained configurations itself is not optimized in any way; instead, the energy function associated with the mapped configurations is. In this work, we explore the consequences of optimizing the coarse-grained representation alongside its potential energy function. We use a graph machine learning framework to embed atomic configurations into a low-dimensional space to produce efficient representations of the original molecular system. Because the representation we obtain is no longer directly interpretable as a real-space representation of the atomic coordinates, we also introduce an inversion process and an associated thermodynamic consistency relation that allows us to rigorously sample fine-grained configurations conditioned on the coarse-grained sampling. We illustrate that this technique is robust, recovering the first two moments of the distribution of several observables in proteins such as chignolin and alanine dipeptide.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Computational and Systems Biology Advances to Enable Bioagent Agnostic Signatures

Enumerated threat agent lists have long driven biodefense priorities. The global SARS-CoV-2 pandemic demonstrated the limitations of searching for known threat agents as compared to a more agnostic approach. Recent technological advances are enabling agent-agnostic biodefense, especially through the integration of multi-modal observations of host-pathogen interactions directed by a human immunological model. Although well-developed technical assays exist for many aspects of human-pathogen interaction, the analytic methods and pipelines to combine and holistically interpret the results of such assays are immature and require further investments to exploit new technologies. In this manuscript, we discuss potential immunologically based bioagent-agnostic approaches and the computational tool gaps the community should prioritize filling.

59 BASIC BIOLOGICAL SCIENCES↗

WPEC Subgroup-38 Final Report part II: Specifications for a new database structure

This is the revision of the specifications for the Generalised Nuclear Database Structure (GNDS), corresponding to GNDS version 1.9. GNDS is designed to serve as a replacement for the Evaluated Nuclear Data Format (ENDF). Although GNDS supersedes the ENDF6 format, GNDS should be viewed as a natural evolution of the ENDF-6 format, using modern computational tools to make nuclear data more accessible.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Risk Evaluation in the Pre-Phase A Conceptual Design of Spacecraft

Typically, the most important decisions in the design of a spacecraft are made in the earliest stages of its conceptual design the Pre-Phase A stages. It is in these stages that the greatest number of design alternatives is considered, and the greatest number of alternatives is rejected. The focus of Pre-Phase A conceptual development is on the evaluation and comparison of whole concepts and the larger-scale systems comprising those concepts. This comparison typically uses general Figures of Merit (FOMs) to quantify the comparative benefits of designs and alternative design features. Along with mass, performance, and cost, risk should be one of the major FOMs in evaluating design decisions during the conceptual design phases. However, risk is often given inadequate consideration in conceptual design practice. The reasons frequently given for this lack of attention to risk include: inadequate mission definition, lack of rigorous design requirements in early concept phases, lack of fidelity in risk assessment methods, and under-evaluation of risk as a viable FOM for design evaluation. In this paper, the role of risk evaluation in early conceptual design is discussed. The various requirements of a viable risk evaluation tool at the Pre-Phase A level are considered in light of the needs of a typical spacecraft design study. A technique for risk identification and evaluation is presented. The application of the risk identification and evaluation approach to the conceptual design process is discussed. Finally, a computational tool for risk profiling is presented and applied to assess the risk for an existing Pre-Phase A proposal. The resulting profile is compared to the risks identified for the proposal by other means.

Fabisinski, Leo L., III↗

Coupled Neutronics - Thermal-Hydraulics - Thermomechanics modeling of Molten Chloride Reactor

Molten Salt Reactors (MSRs) are innovative Generation-IV nuclear reactors known for their enhanced safety features, fuel economy, and fuel cycle advancements. However, designing and studying these reactors present unique safety and modeling challenges. The Department of Energy (DOE)'s Nuclear Energy Advanced Modeling and Simulation program addresses these challenges through the development of flexible multi-fidelity, multiphysics simulation tools. This study exemplifies NEAMS tools' capabilities by modeling a chloride-based micro-MSR: Griffin for neutronics simulations, Pronghorn for thermal-hydraulics simulations, and BISON for thermomechanics simulations. These tools are integrated into a comprehensive 3D multiphysics model, successfully capturing steady-state and transient reactor operations. A loss of flow accident is examined as an illustrative example of transient behavior. Additionally, this paper contributes to demonstrating the theoretical feasibility of micro-MSR concepts, which have received less attention compared to other designs. The subsequent sections provide a brief description of the MSR concept studied, an overview of the computational tools used, and present results for both steady-state operation and a loss of flow accident.

42 - ENGINEERING↗

Optimal parallel algorithms for problems modeled by a family of intervals

A family of intervals on the real line provides a natural model for a vast number of scheduling and VLSI problems. Recently, a number of parallel algorithms to solve a variety of practical problems on such a family of intervals have been proposed in the literature. Computational tools are developed, and it is shown how they can be used for the purpose of devising cost-optimal parallel algorithms for a number of interval-related problems including finding a largest subset of pairwise nonoverlapping intervals, a minimum dominating subset of intervals, along with algorithms to compute the shortest path between a pair of intervals and, based on the shortest path, a parallel algorithm to find the center of the family of intervals. More precisely, with an arbitrary family of n intervals as input, all algorithms run in O(log n) time using O(n) processors in the EREW-PRAM model of computation.

Olariu, Stephan↗

A roadmap toward scaling, reasoning and self-evolving foundation models for nuclear and particle physics

Foundation models have revolutionized artificial intelligence, with Large Language Models demonstrating unprecedented capabilities in multimodal understanding, reasoning and tool use. Nuclear and particle physics stands at a critical juncture where similar transformative potential awaits realization. The field generates exabytes of experimental data, exascale simulations, and decades of theoretical insights — yet these remain largely disconnected from modern Artifical Intelligence (AI) capabilities, with most physics AI applications confined to narrow, task-specific models that suffer from domain shifting when applied to real experimental data. We present a roadmap for FM4NPP (Foundation Model for Nuclear and Particle Physics), systematically scaling from current proof-of-concept models to trillion-parameter architectures capable of autonomous discovery. Our approach advances three critical frontiers: unified data infrastructure integrating detector data, scientific knowledge and computational tools across global facilities; multi-facility foundation models enabling cross-experiment knowledge transfer and accelerated discovery; and agentic AI capabilities for reasoning and autonomous tool use. The resulting self-evolving FM4NPP will transform physics research by converting time-intensive data analysis, theory derivation and computational bottlenecks into rapid AI–human collaborative discovery. This paradigm shift promises to fundamentally accelerate scientific progress in nuclear and particle physics, enabling researchers to focus on high-level insights while AI handles routine analysis and explores vast parameter spaces beyond human capacity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Fixed Source Sensitivity Calculations for Inertial Confinement Fusion Applications

A numerical code library was developed for the radiation transport code MCNP6.3 to calculate generalized response sensitivity coefficients for fixed source neutron transport problems with applications to inertial confinement fusion (ICF) experiments. The new MCNP6.3 dependency is used to generate a novel time convolution response that represents a neutron time-of-flight (nToF) signal. The traditional suite of macroscopic cross-section sensitivities and constrained fixed source probability distribution sensitivities are available for both the standard and the new response tallies in this library. However, novel sensitivity coefficients for the constrained hyperparameters of analytic fixed source probability distributions are emphasized in this work for their connection to ICF neutron transport models. Particularly, advanced Monte Carlo methods are developed for calculating the sensitivity of a nToF signal to perturbations in an ICF plasma’s ion temperature and burn history as well as perturbations in the target liner mass density and the shape parameters of the nToF detector’s impulse response function. Together, these capabilities form an advanced suite of computational tools that can be used to analyze and extract information from any ICF experimental platform.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Fast Multipole Methods for Three-Dimensional N-body Problems

We are developing computational tools for the simulations of three-dimensional flows past bodies undergoing arbitrary motions. High resolution viscous vortex methods have been developed that allow for extended simulations of two-dimensional configurations such as vortex generators. Our objective is to extend this methodology to three dimensions and develop a robust computational scheme for the simulation of such flows. A fundamental issue in the use of vortex methods is the ability of employing efficiently large numbers of computational elements to resolve the large range of scales that exist in complex flows. The traditional cost of the method scales as Omicron (N(sup 2)) as the N computational elements/particles induce velocities at each other, making the method unacceptable for simulations involving more than a few tens of thousands of particles. In the last decade fast methods have been developed that have operation counts of Omicron (N log N) or Omicron (N) (referred to as BH and GR respectively) depending on the details of the algorithm. These methods are based on the observation that the effect of a cluster of particles at a certain distance may be approximated by a finite series expansion. In order to exploit this observation we need to decompose the element population spatially into clusters of particles and build a hierarchy of clusters (a tree data structure) - smaller neighboring clusters combine to form a cluster of the next size up in the hierarchy and so on. This hierarchy of clusters allows one to determine efficiently when the approximation is valid. This algorithm is an N-body solver that appears in many fields of engineering and science. Some examples of its diverse use are in astrophysics, molecular dynamics, micro-magnetics, boundary element simulations of electromagnetic problems, and computer animation. More recently these N-body solvers have been implemented and applied in simulations involving vortex methods. Koumoutsakos and Leonard (1995) implemented the GR scheme in two dimensions for vector computer architectures allowing for simulations of bluff body flows using millions of particles. Winckelmans presented three-dimensional, viscous simulations of interacting vortex rings, using vortons and an implementation of a BH scheme for parallel computer architectures. Bhatt presented a vortex filament method to perform inviscid vortex ring interactions, with an alternative implementation of a BH scheme for a Connection Machine parallel computer architecture.

Koumoutsakos, P.↗

A total variation diminishing finite difference algorithm for sonic boom propagation models

It is difficult to accurately model the rise phases of sonic boom waveforms with traditional finite difference algorithms because of finite difference phase dispersion. This paper introduces the concept of a total variation diminishing (TVD) finite difference method as a tool for accurately modeling the rise phases of sonic booms. A standard second order finite difference algorithm and its TVD modified counterpart are both applied to the one-way propagation of a square pulse. The TVD method clearly outperforms the non-TVD method, showing great potential as a new computational tool in the analysis of sonic boom propagation.

Sparrow, Victor W.↗

A Biomathematical Model of Lymphopoiesis and Its Application to Acute and Chronic Irradiation Assessment

After the events of September 11, 2001, there is an increasing concern of the occurrence of radiological terrorism that may result in significant casualties in densely populated areas. Much effort has been made to establish various biomarkers to rapidly assess radiation dose in mass-casualty and population-monitoring scenarios, which are demanded for effective medical management and treatment of the exposed victims. Among these the count of lymphocytes in peripheral blood and their depletion kinetics are the most important early indicators of the severity of the radiation injury. In this study, we examine a biomathematical model of lymphopoiesis which has been successfully utilized to simulate and interpret experimental data of acute and chronic irradiations on rodents [1]. With revised parameters for humans, we find this model can reproduce several sets of clinical lymphocyte data of accident victims over a wide range of absorbed doses. In addition, the absolute lymphocyte counts and the depletion rate constants calculated by this model also show good correlation with the Guskova formula and the Goans model, the two empirical tools which have been widely recognized for early estimation of the exposed dose after radiation accidents [2]. We also use the model to analyze the hematological data of the Techa River residents which were exposed to chronic low-dose irradiation during 1950-1956 [3]. This model can serve as a computational tool in radiation accident management, military operations involving nuclear warfare, radiation therapy, and space radiation risk assessment.

Hu, Shaowen↗

Implementation of a High-Speed Multichannel Data Acquisition System for Magnetic Diagnostics and Plasma Centroid Position Control in ISTTOK

In tokamak and other fusion devices, magnetic control is the main tool that allows to regulate the plasma current, position and shape; it is in charge of actuating the desired plasma current waveform, steering the plasma position to a given set point and maintain the plasma shape close to a prescribed plasma equilibrium. This work describes the application of several physics concepts and computational tools in order to obtain a novel optimal controller for the plasma centroid position, which has been implemented and tested in the real-time plasma control system at the ISTTOK tokamak. A key point for the development of the new control system was the installation of a recently upgraded hardware, that numerically integrates in real-time the magnetic probes signals.

poloidal field coils↗

Developing And Scaling an OpenFOAM Model to Study Turbulent Flow in a HFIR Coolant Channel

Improving the understanding of how computational fluid dynamics (CFD) direct numerical simulations (DNS) of flows in the High Flux Isotope Reactor (HFIR) perform when run in parallel using the high performance computing (HPC) platform Summit at the Oak Ridge Leadership Computing Facility (OLCF) is of particular importance to boost the computational tools used to support HFIR conversion to low enriched fuel (LEU). Evaluation of scaling performance was driven by the increasing importance of graphics processing unit (GPU) usage in HPC, which is becoming the standard for modern supercomputers such as Summit. The desired results are to obtain a strong positive correlation between the computational resources dedicated to a problem and the relative speed-up of the simulation in comparison to a benchmark. This capability will allow substantially improvement in HFIR flow analytical capabilities, specifically when predicting turbulence properties at high Reynolds numbers. The study leverages previous simulation results performed with code PHASTA (finite element) on HPC platforms Cori (NERSC) and Theta (ALCF) [1] with computing options provided in the computing platform OpenFOAM (finite volume) at OLCF. Transitioning from PHASTA to OpenFOAM will (1) eliminate dependence on third-party software for mesh generation and manipulation, (2) reduce resource needs by employing modern architectures, and (3) build expertise for future modeling of HFIR-specific problems like heat transfer in involute geometry, entrance effects, flow structure in channel corners, and so on—all important issues when defining the available thermal margins in the transition to LEU. CPUs and GPUs differ significantly in their architecture and utilization, as discussed in the literature [2]. The most important differences are in the approach to computations and their memory. A single GPU contains a large quantity of cores, enabling it to perform with a much higher throughput than a CPU, but execution requires a different approach. GPU codes execute instructions using the Single-Instruction Multiple-Thread (SIMT) approach in which a single instruction is used for groups of threads called warps. A warp typically consists of 32 threads which must execute the same set of instructions, although on separate threads. Alternately, a CPU has far fewer cores that are much more flexible in their operation, excelling at quickly performing more complex serial computations. This is why GPUs have greater throughput when properly utilized. The second important difference is seen when comparing their memory spaces. Limited memory allocations and CPU–GPU communications cause a significant bottleneck in GPU-accelerated programs. Further study was required to properly take advantage of GPU resources. A comprehensive analysis of code performance and the model-specific features of turbulence constitutes the core of this work. In this study, a DNS simulation of HFIR channel turbulence was performed with the finite volume CFD code OpenFOAM v2112 and CUDA v11.0 on Red Hat Enterprise Linux v8.2. The OpenFOAM installation had AMGx integrated to enable GPU acceleration and utilizes the PETSc4FOAM library. The computational resources and the problem size were scaled on CPU and CPU + GPU architectures to gain a better understanding of the performance of a DNS problem on modern computing hardware. The study aimed to analyze the scaling of the code exclusively on CPUs and then to examine the scaling of the codes with GPU acceleration enabled. Scaling studies included CPU and GPU acceleration on a mesh of varying resolution to analyze the impact of problem size relative to computational resources. In the course of preparing the GPU configuration on Summit, mainly using the AMGX solvers, difficulties were encountered stemming from constant changes resulting from extensive ongoing development activities and the changing environment. This resulted in the inability to complete the GPU portion of the work. The code was compiled and tested, but production runs to assess acceleration were not performed because the used discretional compute time allocation expired as year-end approached. The Summit HPC platform is scheduled for decommissioning in 2024, making it unattractive for future use with Nvidia-based GPUs. Therefore, the work will be moved onto NERSC machines in FY24. An application was prepared and submitted, and sufficient node-hours were awarded to continue the research in the next calendar year. This report summarizes work performed thus far, which mostly focused on CPU OpenFOAM computing.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗