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At least 649 records · Page 36

Application of computational physics within Northrop

An overview of Northrop programs in computational physics is presented. These programs depend on access to today's supercomputers, such as the Numerical Aerodynamical Simulator (NAS), and future growth on the continuing evolution of computational engines. Descriptions here are concentrated on the following areas: computational fluid dynamics (CFD), computational electromagnetics (CEM), computer architectures, and expert systems. Current efforts and future directions in these areas are presented. The impact of advances in the CFD area is described, and parallels are drawn to analagous developments in CEM. The relationship between advances in these areas and the development of advances (parallel) architectures and expert systems is also presented.

George, M. W.↗

REE radiation fault model: a tool for organizing and communication radiation test data and construction COTS based spacebourne computing systems

The growth in data rates of instruments on future NASA spacecraft continues to outstrip the improvement in communications bandwidth and processing capabilities of radiation-hardened computers. Sophisticated autonomous operations strategies will further increase the processing workload. Given the reductions in spacecraft size and available power, standard radiation hardened computing systems alone will not be able to address the requirements of future missions. The REE project was intended to overcome this obstacle by developing a COTS- based supercomputer suitable for use as a science and autonomy data processor in most space environments. This development required a detailed knowledge of system behavior in the presence of Single Event Effect (SEE) induced faults so that mitigation strategies could be designed to recover system level reliability while maintaining the COTS throughput advantage. The REE project has developed a suite of tools and a methodology for predicting SEU induced transient fault rates in a range of natural space environments from ground-based radiation testing of component parts. In this paper we provide an overview of this methodology and tool set with a concentration on the radiation fault model and its use in the REE system development methodology. Using test data reported elsewhere in this and other conferences, we predict upset rates for a particular COTS single board computer configuration in several space environments.

Radiation Effects Modeling COTS computers REE SEU ↗

Efficient use of quantum computers for collider physics

Most observables at particle colliders involve physics at a wide variety of distance scales. Due to asymptotic freedom of the strong interaction, the physics at short distances can be calculated reliably using perturbative techniques, while long distance physics is non-perturbative in nature. Factorization theorems separate the contributions from different scales, allowing to identify the pieces that can be determined perturbatively from those that require non-perturbative information, and if the non-perturbative pieces can be reliably determined, one can use experimental measurements to extract the short distance effects, sensitive to possible new physics. Without the ability to compute the non-perturbative ingredients from first principles one typically identifies observables for which the non-perturbative information is universal in the sense that it can be extracted from some experimental observables and then used to predict other observables. In this paper we argue that the future ability to use quantum computers to calculate non-perturbative matrix elements from first principles will allow to make predictions for observables with non-universal non-perturbative long-distance physics.

Algorithms and Theoretical Developments↗

Progress and supercomputing in computational fluid dynamics; Proceedings of U.S.-Israel Workshop, Jerusalem, Israel, December 1984

Current developments and future trends in the application of supercomputers to computational fluid dynamics are discussed in reviews and reports. Topics examined include algorithm development for personal-size supercomputers, a multiblock three-dimensional Euler code for out-of-core and multiprocessor calculations, simulation of compressible inviscid and viscous flow, high-resolution solutions of the Euler equations for vortex flows, algorithms for the Navier-Stokes equations, and viscous-flow simulation by FEM and related techniques. Consideration is given to marching iterative methods for the parabolized and thin-layer Navier-Stokes equations, multigrid solutions to quasi-elliptic schemes, secondary instability of free shear flows, simulation of turbulent flow, and problems connected with weather prediction.

Murman, E. M.↗

Aerocapture Technologies

Aeroassist technology development is a vital part of the NASA In-Space Propulsion Technology (ISPT) Program. One of the main focus areas of ISPT is aeroassist technologies through the Aerocapture Technology (AT) Activity. Within the ISPT, the current aeroassist technology development focus is aerocapture. Aerocapture relies on the exchange of momentum with an atmosphere to achieve thrust, in this case a decelerating thrust leading to orbit capture. Without aerocapture, a substantial propulsion system would be needed on the spacecraft to perform the same reduction of velocity. This could cause reductions in the science payload delivered to the destination, increases in the size of the launch vehicle (to carry the additional fuel required for planetary capture) or could simply make the mission impossible due to additional propulsion requirements. The AT is advancing each technology needed for the successful implementation of aerocapture in future missions. The technology development focuses on both rigid aeroshell systems as well as the development of inflatable aerocapture systems, advanced aeroshell performance sensors, lightweight structure and higher temperature adhesives. Inflatable systems such as tethered trailing ballutes ('balloon parachutes'), clamped ballutes, and inflatable aeroshells are also under development. Aerocapture-specific computational tools required to support future aerocapture missions are also an integral part of the ATP. Tools include: engineering reference atmosphere models, guidance and navigation, aerothermodynamic modeling, radiation modeling and flight simulation. Systems analysis plays a key role in the AT development process. The NASA in-house aerocapture systems analysis team has been taken with multiple systems definition and concept studies to complement the technology development tasks. The team derives science requirements, develops guidance and navigation algorithms, as well as engineering reference atmosphere models and aeroheating specifications. The study team also creates designs for the overall mission spacecraft. Presentation slides are provided to further describe the aerocapture project.

Keys, Andrew S.↗

An Overview Of NASA's Solar Sail Propulsion Project

Research conducted by the In-Space Propulsion (ISP) Technologies Projects is at the forefront of NASA's efforts to mature propulsion technologies that will enable or enhance a variety of space science missions. The ISP Program is developing technologies from a Technology Readiness Level (TRL) of 3 through TRL 6. Activities under the different technology areas are selected through the NASA Research Announcement (NRA) process. The ISP Program goal is to mature a suite of reliable advanced propulsion technologies that will promote more cost efficient missions through the reduction of interplanetary mission trip time, increased scientific payload mass fraction, and allowing for longer on-station operations. These propulsion technologies will also enable missions with previously inaccessible orbits (e.g., non-Keplerian, high solar latitudes). The ISP Program technology suite has been prioritized by an agency wide study. Solar Sail propulsion is one of ISP's three high-priority technology areas. Solar sail propulsion systems will be required to meet the challenge of monitoring and predicting space weather by the Office of Space Science s (OSS) Living with a Star (LWS) program. Near-to-mid-term mission needs include monitoring of solar activity and observations at high solar latitudes. Near-term work funded by the ISP solar sail propulsion project is centered around the quantitative demonstration of scalability of present solar sail subsystem designs and concepts to future mission requirements through ground testing, computer modeling and analytical simulations. This talk will review the solar sail technology roadmap, current funded technology development work, future funding opportunities, and mission applications.

Garbe, Gregory↗

Bridging the Gap between the X-ray Absorption Spectroscopy and the Computational Catalysis Communities in Heterogeneous Catalysis: A Perspective on the Current and Future Research Directions

X-ray absorption spectroscopy (XAS) [extended X-ray absorption fine structure (EXAFS) and X-ray absorption near-edge structure (XANES)] is a key technique within the heterogeneous catalysis community to probe the structure and properties of the active site(s) for a diverse range of catalytic materials. Furthermore, the interpretation of the raw experimental data to derive an atomistic picture of the catalyst requires modeling and analysis; the EXAFS data are compared to a model, and a goodness of fit parameter is used to judge the best fit. This EXAFS modeling can often be nontrivial and time-consuming; overcoming or improving these limitations remains a central challenge for the community. Considering these limitations, this Perspective highlights how recent developments in analysis software, increased availability of reliable computational models, and application of data science tools can be used to improve the speed, accuracy, and reliability of EXAFS interpretation. In particular, we emphasize the advantages of combining theory and EXAFS as a unified technique that should be treated as a standard (when applicable) to identify catalytic sites and not two separate complementary methods. Building on the recent trends in the computational catalysis community, we also present a community-driven approach to adopt FAIR Guiding Principles for the collection, analysis, dissemination, and storage of XAS data. Written with both the experimental and theory audience in mind, we provide a unified roadmap to foster collaborations between the two communities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A-SST Initial Specification

The U.S. Army Research Office (ARO), in partnership with IARPA, are investigating innovative, efficient, and scalable computer architectures that are capable of executing next-generation large scale data-analytic applications. These applications are increasingly sparse, unstructured, non-local, and heterogeneous. Under the Advanced Graphic Intelligence Logical computing Environment (AGILE) program, Performer teams will be asked to design computer architectures to meet the future needs of the DoD and the Intelligence Community (IC). This design effort will require flexible, scalable, and detailed simulation to assess the performance, efficiency, and validity of their designs. To support AGILE, Sandia National Labs will be providing the AGILE-enhanced Structural Simulation Toolkit (A-SST). This toolkit is a computer architecture simulation framework designed to support fast, parallel, and multi-scale simulation of novel architectures. This document describes the A-SST framework, some of its library of simulation models, and how it may be used by AGILE Performers.

97 MATHEMATICS AND COMPUTING↗

Aerocapture Benefits to Future Science Missions

NASA's In-Space Propulsion Technology (ISPT) Program is investing in technologies to revolutionize the robotic exploration of deep space. One of these technologies is Aerocapture, the most promising of the "aeroassist" techniques used to maneuver a space vehicle within an atmosphere, using aerodynamic forces in lieu of propellant. (Other aeroassist techniques include aeroentry and aerobraking.) Aerocapture relies on drag atmospheric drag to decelerate an incoming spacecraft and capture it into orbit. This technique is very attractive since it permits spacecraft to be launched from Earth at higher velocities, providing shorter trip times and saving mass and overall cost on future missions. Recent aerocapture systems analysis studies quantify the benefits of aerocapture to future exploration. The 2002 Titan aerocapture study showed that using aerocapture at Titan instead of conventional propulsive capture results in over twice as much payload delivered to Titan. Aerocapture at Venus results in almost twice the payload delivered to Venus as with aerobraking, and over six times more mass delivered into orbit than all-propulsive capture. Aerocapture at Mars shows significant benefits as the payload sizes increase and as missions become more complex. Recent Neptune aerocapture studies show that aerocapture opens up entirely new classes of missions at Neptune. Current aerocapture technology development is advancing the maturity of each subsystem technology needed for successful implementation of aerocapture on future missions. Recent development has focused on both rigid aeroshell and inflatable aerocapture systems. Rigid aeroshell systems development includes new ablative and non-ablative thermal protection systems, advanced aeroshell performance sensors, lightweight structures and higher temperature adhesives. Inflatable systems such as trailing tethered and clamped "ballutes" and inflatable aeroshells are also under development. Computational tools required to support future aerocapture missions are an integral part of aerocapture development. Tools include engineering reference atmosphere models, guidance and navigation algorithms, aerothermodynamic modeling, and flight simulation.

Artis, Gwen↗

Systematic input scheme for many-boson Hamiltonians with applications to the two-dimensional 𝜙 4 theory

We develop a novel, systematic input scheme for many-boson Hamiltonians in order to solve field theory problems within the light-front Hamiltonian formalism via quantum computing. We present our discussion of this input scheme based on the light-front Hamiltonian of the two-dimensional ϕ 4 theory. In our input scheme, we employ a set of quantum registers, where each register encodes the occupation of a distinct boson mode as binaries. We squeeze the boson operators of each mode and present the Hamiltonian in terms of unique combinations of the squeezed-boson operators. We design the circuit modules for these unique combinations. Based on these circuit modules, we block encode the many-boson Hamiltonian utilizing the idea of quantum walk. For demonstration purposes, we present the spectral calculations of the Hamiltonian utilizing the hybrid quantum-classical symmetry-adapted quantum Krylov subspace diagonalization algorithm based on our input scheme, where the quantum computations are performed with the IBM Qiskit quantum simulator. The results of the hybrid calculations agree with exact results. Here, we can incorporate the input scheme in this work with the input scheme for many-fermion Hamiltonians; they jointly offer new pathways to solving the structure and dynamics of more general field theory problems on future fault-tolerant quantum computers.

Ab initio calculations↗

Protein Molecular Dynamics Simulations with Approximate QM: What Can We Learn?

Classical force fields are essential for computer simulations of proteins and are typically parameterized to reproduce secondary and tertiary structure of isolated proteins. However, while protein-protein interactions are ubiquitous in nature, they are not considered in parameterization efforts and are far less understood than isolated proteins. A better characterization of intermolecular interactions is widely recognized as a key to revolutionizing drug and therapeutic developments with high-throughput computational screening. Urgently needed is a critical assessment of the performance of modern protein force fields against first-principles electronic structure methods and experiments. In a daring step toward this goal, we here describe a comparison of peptide folding dynamics as predicted by a molecular mechanics force field on the one hand and by an approximate electronic structure quantum mechanical (QM) method based on density-functional tight-binding (DFTB) on the other. We further compare the dynamics from straightforward DFTB simulations with a near-linear scaling version of DFTB for massively parallel computation based on the fragment molecular orbital (FMO-DFTB) method. We illustrate differences between the phenomenology of the folding dynamics from these three methods for a small model peptide, as well as charge polarization and dynamic fluctuations, point out possible correlations and implications for force field developers, and discuss the lessons learned that might become applicable to future predictive high-throughput computer screening for personalized neoantigen cancer therapy.

Irle, Stephan↗

Multiplex gas chromatography for use in space craft

Gas chromatography is a powerful technique for the analysis of gaseous mixtures. Some limitations in this technique still exist which can be alleviated with multiplex gas chromatography (MGC). In MGC, rapid multiple sample injections are made into the column without having to wait for one determination to be finished before taking a new sample. The resulting data must then be reduced using computational methods such as cross correlation. In order to efficiently perform multiplexgas chromatography, experiments in the laboratory and on board future space craft, skills, equipment, and computer software were developed. Three new techniques for modulating, i.e., changing, sample concentrations were demonstrated by using desorption, decomposition, and catalytic modulators. In all of them, the need for a separate gas stream as the carrier was avoided by placing the modulator at the head of the column to directly modulate a sample stream. Finally, the analysis of an environmental sample by multiplex chromatography was accomplished by employing silver oxide to catalytically modulate methane in ambient air.

Valentin, J. R.↗

Workshop on Computational Turbulence Modeling

This document contains presentations given at Workshop on Computational Turbulence Modeling held 15-16 Sep. 1993. The purpose of the meeting was to discuss the current status and future development of turbulence modeling in computational fluid dynamics for aerospace propulsion systems. Papers cover the following topics: turbulence modeling activities at the Center for Modeling of Turbulence and Transition (CMOTT); heat transfer and turbomachinery flow physics; aerothermochemistry and computational methods for space systems; computational fluid dynamics and the k-epsilon turbulence model; propulsion systems; and inlet, duct, and nozzle flow.

Source record↗

Enhanced Contact Graph Routing (ECGR) MACHETE Simulation Model

Contact Graph Routing (CGR) for Delay/Disruption Tolerant Networking (DTN) space-based networks makes use of the predictable nature of node contacts to make real-time routing decisions given unpredictable traffic patterns. The contact graph will have been disseminated to all nodes before the start of route computation. CGR was designed for space-based networking environments where future contact plans are known or are independently computable (e.g., using known orbital dynamics). For each data item (known as a bundle in DTN), a node independently performs route selection by examining possible paths to the destination. Route computation could conceivably run thousands of times a second, so computational load is important. This work refers to the simulation software model of Enhanced Contact Graph Routing (ECGR) for DTN Bundle Protocol in JPL's MACHETE simulation tool. The simulation model was used for performance analysis of CGR and led to several performance enhancements. The simulation model was used to demonstrate the improvements of ECGR over CGR as well as other routing methods in space network scenarios. ECGR moved to using earliest arrival time because it is a global monotonically increasing metric that guarantees the safety properties needed for the solution's correctness since route re-computation occurs at each node to accommodate unpredicted changes (e.g., traffic pattern, link quality). Furthermore, using earliest arrival time enabled the use of the standard Dijkstra algorithm for path selection. The Dijkstra algorithm for path selection has a well-known inexpensive computational cost. These enhancements have been integrated into the open source CGR implementation. The ECGR model is also useful for route metric experimentation and comparisons with other DTN routing protocols particularly when combined with MACHETE's space networking models and Delay Tolerant Link State Routing (DTLSR) model.

Segui, John S.↗

Full-wave modeling of RF waves in fusion plasmas with finite element method: Progress in past decades and its future role

This paper reviews the progress in computing radio frequency (RF) wave fields in fusion plasmas, specifically focusing on simulations utilizing the finite element method (FEM) over the past few decades. Computing RF wave fields in fusion plasmas presents unique challenges due to large simulation domains, complex antenna structures, non-local dielectric properties, and wide ranges of spatial scales. It highlights key developments and outlines future directions, primarily addressing waves in the ion cyclotron (IC) to lower hybrid (LH) frequency range. We begin with briefly revisiting earlier developments before the widespread availability of modern computer-aided engineering (CAE) software based on FEM. This historical perspective illuminates early progress and the physics difficulties that motivated ongoing work within the community. Modern wave simulations for RF antennas based on FEM are characterized by the use of detailed 3D antenna model geometry generated from engineering CAD software and localized wave dielectric model. Significant advancements have also been made in improving physics models to include phenomena such as RF sheath rectification and wave scattering. FEM-based RF simulations have also been applied to compute wave propagation in the core region, where the inclusion of non-local dielectric response is crucial. This is a challenging goal, and several promising approaches have been proposed in this area. Additionally, RF simulation development initiatives based on open-source libraries have gained popularity, demonstrating scalability and flexibility in extending physics models. This paper will discuss the advantages and disadvantages of using such a publicly available FEM library.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Neuromorphic Computing for Autonomous Racing

Neuromorphic computing has many opportunities in future autonomous systems, especially those that will operate at the edge. However, there are relatively few demonstrations of neuromorphic implementations on real-world applications, partly because of the lack of availability of neuromorphic hardware and software, but also because of the lack of availability of an accessible demonstration platform. In this work, we propose utilizing the F1Tenth platform as an evaluation task for neuromorphic computing. F1Tenth is a competition wherein one tenth scale cars compete in an autonomous racing task; there are significant open source resources in both software and hardware for realizing this task. We present a workflow with neuromorphic hardware, software, and training that can be used to develop a spiking neural network for neuromorphic hardware deployment to perform autonomous racing. We present initial results on utilizing this approach for this small-scale, real-world autonomous vehicle task.

Patton, Robert↗

Analytical predictions of RTG power degradation

The DEGRA computer code that is based on a mathematical model which predicts performance and time-temperature dependent degradation of a radioisotope thermoelectric generator is discussed. The computer code has been used to predict performance and generator degradation for the selenide Ground Demonstration Unit (GDS-1) and the generator used in the Galileo Project. Results of parametric studies of load voltage vs generator output are examined as well as the I-V curve and the resulting predicted power vs voltage. The paper also discusses the increased capability features contained in DEGRA2 and future plans for expanding the computer code performance.

Noon, E. L.↗

Even Higher-Level Synthesis: An Exploration of AI Hardware Accelerators using HLS4ML

With the rise of artificial intelligence, the popularization of deep learning, and a constantly evolving industry, the demand for flexible and efficient tools has never been greater. As algorithms grow more complex, their runtime and energy consumption increase exponentially. Customized hardware accelerators, long used for specific mathematical operations, remain essential for managing modern applications' computational and power demands. Hardware accelerators can speed up complex computations by orders of magnitude, but their manual design and verification processes are often challenging and time-consuming. High-Level Synthesis (HLS) provides a solution by transforming high-level algorithm descriptions, typically written in C++ or SystemC, into synthesizable RTL suitable for hardware implementation. This approach reduces development time for RTL engineers while offering flexibility beyond what traditional handwritten RTL can provide. We extended this capability to the machine-learning domain with the open-source framework hls4ml, which allows neural networks trained in Python frameworks like Tensorflow or PyTorch to be synthesized into efficient hardware representations for the traditional FPGA and ASIC flows. This breakthrough addresses the growing need for reduced design turnaround and easy verification of ML hardware accelerators with low latency and power efficiency constraints. During this tutorial, we will demonstrate how Python complements HLS by simplifying the ML design process, bridging the gap between software and hardware development. Attendees will explore how we translate neural networks modeled in Python into fixed-point C++ models suitable for HLS workflows. We will dive into strategies like Value-Range Analysis and Quantization-Aware Training, which optimize these designs for deployment and evaluate their accuracy, power consumption, and energy efficiency. To exemplify these concepts, experts from Fermilab will share their experiences applying this technology to high-energy physics experiments, where real-time, low-latency processing is critical. Over the years, Fermilab engineers have demonstrated how deep neural networks, optimized for hardware using hls4ml, can meet the stringent requirements of trigger systems at the CERN Large Hadron Collider. These systems rely on rapid decision-making to process immense data volumes while retaining only the most relevant events for further analysis. The application of hls4ml has also been extended to innovative technologies like smart pixel arrays. These smart pixels integrate ML inference capabilities directly into sensor devices, enabling localized data processing at the pixel level. This approach drastically reduces the need to transmit raw data to external processing units, significantly decreasing power consumption and latency. By embedding neural networks within the pixel architecture, the smart pixels can identify and prioritize relevant data in real time, providing a highly efficient solution for edge computing in scenarios such as particle detectors and imaging systems. Fermilab's work highlights the potential of hardware-accelerated ML in scenarios where both speed and power efficiency are mission-critical. Through this tutorial, attendees will gain valuable insights into the challenges and solutions of deploying ML in hardware. Understanding how HLS and hls4ml streamline the development of neural network-based hardware accelerators is fundamental for the industry's future. Participants will learn how these technologies are shaping the future of AI and scientific computing.

Di Guglielmo, Giuseppe [Fermilab]↗