Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Software frameworks”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Determining Levels of Detail for Simulators of Parallel and Distributed Computing Systems via Automated Calibration

There are two sources of inaccuracy when simulating parallel and distributed computing systems: (i) a simulator implemented at an insufficient level of detail; and (ii) incorrectly calibrated simulation parameter values. Increasing the simulator’s level of detail can improve accuracy, but at the cost of higher space, time, and/or software complexity. Furthermore, evaluating the intrinsic accuracy of a simulator requires that its parameters be well-calibrated. Making decisions regarding the level of detail is thus challenging. We propose a methodology for instantiating the simulation calibration process and a framework for automating this process, which makes it possible to pick appropriate levels of detail for any simulator. We demonstrate the usefulness of our approach via two case studies for two different domains.

McDonald, Jessie [University of Hawaii at Manoa, H↗
DOE OSTI2021

Griffin-m

Griffin-m is a MOOSE-based reactor multiphysics application that streamlines the analysis of a variety of nuclear multiphysics simulations, including steady-state and transient radiation transport, core performance, fuel depletion, criticality and decay heat calculations, reprocessing and post-irradiation examination. This streamlining is accomplished via enhanced flexibility of the tools, uniform syntax in the MOOSE framework, dynamic linking of all relevant physics and a single point of execution. The design for flexible multi-physics, multi-radiation, multi-scheme tasks demands and ultimately makes Griffin-m a highly extendable code system. A software quality assurance (SQA) procedure is enforced during Griffin-m development. The Griffin-m version will be the main production version and it includes the MCC3 code, which was originally developed at Argonne National Laboratory to prepare cross sections for fast reactors.

Ortensi, Javier [Idaho National Laboratory (INL), ↗
DOE OSTI2020

Sandia GNU Radio Utilities

The Sandia Utilities form an RF toolkit extending the GNU Radio framework for straightforward interaction with bursty RF systems which can be cumbersome using built in capabilities of the framework or other open source extensions. Motivated by the abstract exercise of responding to a modulated burst of information with a unique modulated burst of information, the Sandia Utilities provide several dozen additional debug and signal processing blocks through four software modules. These blocks manifest their utility through a new general concept of operation for GNU Radio applications and extend many existing streaming capabilities to the PDU-based message passing API. Using these concepts and tools, it is straightforward to develop software capabilities to interact with existing and new bursty RF devices.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Unified Memory: GPGPU-Sim/UVM Smart Integration

CPU/GPU heterogeneous compute platforms are an ubiquitous element in computing and a programming model specified for this heterogeneous computing model is important for both performance and programmability. A programming model that exposes the shared, unified, address space between the heterogeneous units is a necessary step in this direction as it removes the burden of explicit data movement from the programmer while maintaining performance. GPU vendors, such as AMD and NVIDIA, have released software-managed runtimes that can provide programmers the illusion of unified CPU and GPU memory by automatically migrating data in and out of the GPU memory. However, this runtime support is not included in GPGPU-Sim, a commonly used framework that models the features of a modern graphics processor that are relevant to non-graphics applications. UVM Smart was developed, which extended GPGPU-Sim 3.x to in- corporate the modeling of on-demand pageing and data migration through the runtime. This report discusses the integration of UVM Smart and GPGPU-Sim 4.0 and the modifications to improve simulation performance and accuracy.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Building Datasets and Training Methods for ML Based Magnet Quench Detection

Detecting quenches in superconducting (SC) magnets during training is a challenging process that involves capturing physical events that occur at different frequencies and appear as various signal features. These events may be correlated across instrumentation type, thermal cycle, and ramp. These events together build a more complete picture of continuous processes occurring in the magnet, and may allow us to flag potential precursors for quench detection. We present our work on building an automatic machine learning (ML) based quench detection system. We build upon our existing work on unsupervised auto-encoders for acoustic sensors and quench antenna (QA) by first establishing a supervised ML training pipeline. We show the results of an event tagging, analysis, and simulation framework on our QA and acoustic data which are used concurrently to build a training dataset for a supervised implementation. We then show how this supervised training can be used as a prior in a semi-supervised framework and compare this to the unsupervised neural network auto-encoder performance.This allows us to have a more concrete understanding of the performance of our algorithms relative to physical events occurring in the magnet, and also provides a baseline software tool to generically evaluate our quench prediction autoencoders under completely unsupervised, supervised, and semi-supervised training conditions.

Khan, Maira [Fermilab]↗
DOE OSTI2024

\texttt{qec\_code\_sim}: An open-source Python framework for estimating the effectiveness of quantum-error correcting codes on superconducting qubits

Quantum computers are highly susceptible to errors due to unintended interactions with their environment. It is crucial to correct these errors without gaining information about the quantum state, which would result in its destruction through back-action. Quantum Error Correction (QEC) provides information about occurred errors without compromising the quantum state of the system. However, the implementation of QEC has proven to be challenging due to the current performance levels of qubits -- break-even requires fabrication and operation quality that is beyond the state-of-the-art. Understanding how qubit performance factors into the success of a QEC code is a valuable exercise for tracking progress towards fault-tolerant quantum computing. Here we present \texttt{qec\_code\_sim}, an open-source, lightweight Python framework for studying the performance of small quantum error correcting codes under the influence of a realistic error model appropriate for superconducting transmon qubits, with the goal of enabling useful hardware studies and experiments. \texttt{qec\_code\_sim} requires minimal software dependencies and prioritizes ease of use, ease of change, and pedagogy over execution speed. As such, it is a tool well-suited to small teams studying systems on the order of one dozen qubits.

Lopez, Santiago↗
DOE OSTI2024

Developing Multiphysics, Integrated, High-Fidelity, Massively Parallel Computational Capabilities for Fusion Applications Using MOOSE

As the need for fusion as a clean, sustainable, and abundant energy source grows internationally, so does the need for multiphysics, computational tools to model, study, and predict the complex interactions between plasma, materials, and engineering processes. These tools have a crucial role to play in solving scientific and engineering challenges and accelerating fusion energy deployment. To address these needs, modeling capabilities should enable massively parallel, multiphysics, fully integrated high-fidelity simulations of fusion systems. Additional attributes, such as being open source and modular while maintaining high software quality assurance standards will maximize impact by ensuring accessibility for all and wide acceptance, rapid expansion and development, as well as reliability, efficiency, and robustness. In this paper, we describe how the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework, which has a track record of success in the fission space thanks to the attributes listed above, can be leveraged in the fusion energy field. We highlight key successes of the MOOSE application in the fission space and describe how MOOSE has been and is being applied to fusion applications in the United States---e.g., Tritium Migration Analysis Program, version 8 (TMAP8), MOOSE Fusion Module, Fusion ENergy Integrated multiphys-X (FENIX)---and the United Kingdom---e.g., AURORA, Achlys, Apollo. These efforts aim to establish a suite of tools that can be further extended to accelerate fusion energy deployment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

A reactive electrochemomechanical theory for growth and remodeling of polyelectrolyte hydrogels and application to dynamic polymerization of $\text{DNA}$ hydrogels

Here this study develops a framework for growth and remodeling of active polyelectrolyte hydrogels that accounts for effects of compositional changes on the mechanical response. By developing a reactive electrochemomechanical theory, thermodynamical constraints upon reactive and remodeling processes are elucidated within a general framework that allows any number of chemical reactions to evolve the response of the gel and transfer mass and charge between constituents. Fully coupled, nonlinear constitutive relations are adopted for molar fluxes, allowing exploration of effects including cross-diffusion, electrophoresis, and electro-osmosis. A robust finite element implementation is developed in the open source FEBio software (febio.org) by exploiting an equivalence between electrochemomechanics and mixture theory. The implementation is verified against analytical solutions for free swelling, and a proper reduction to a prior chemomechanical theory is demonstrated for neutral gels swollen only by a solvent with no solutes. The theory and implementation are then applied to model the tunable large swelling achieved through dynamic polymerization of DNA crosslinkers seen in our recently developed experimental hydrogel system (Cangialosi et al., 2017). A novel constitutive model for reaction-driven evolution of the locking stretch λ L in a non-Gaussian mechanical free energy was developed, where the increasing concentration of DNA crosslinkers makes further swelling energetically favorable. With a single free parameter, excellent agreement was found between measured and predicted equilibrium swelling ratios. This study demonstrated the ability to extend the electrochemomechanical framework to include chemical reactions and composition-aware constitutive models, and showed that development of reactive models allows simulation of complex dynamic polymerization phenomena not treated before. The theoretical frame here can be further expanded in scope to incorporate additional non-ideal and nonlinear phenomena.

42 ENGINEERING↗
DOE OSTI2024

Creating Continuous Integration Infrastructure for Software Development on U.S. Department of Energy High-Performance Computing Systems

The Exascale Computing Project (ECP) software deployment effort developed and advanced DevOps capabilities. One goal was to enable robust continuous integration (CI) workflows that span the protected high performance computing (HPC) environments found within many of the Department of Energy’s (DOE) national laboratories. This article highlights several challenges encountered with enabling automation, such as charging models for CI jobs, and meeting individualized security requirements that revolve around strongly associating running code with a human identity. Here, it also describes how the Jacamar CI tool evolved to meet latter requirements and became a key aspect of the solutions currently offered. Derived from this experience, we offer a conceptual framework for understanding current and future CI challenges at DOE facilities and offer suggestions for long-term solutions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

otsdaq

otsdaq is a Ready-to-Use data-acquisition (DAQ) solution aimed at scaling down to test-beam, detector development, and other rapid-deployment scenarios; and scaling up through the development cycle to fullscale production and operation. otsdaq uses the artdaq DAQ framework under-the-hood, providing flexibility and scalability to meet evolving DAQ needs. otsdaq provides a library of supported front-end boards and firmware modules which implement a custom UDP protocol. Additionally, an integrated Run Control GUI and readout software are provided, preconfigured to communicate with otsdaq firmware.

Rivera, Ryan [Fermi National Accelerator Laborator↗
DOE OSTI2024

SPARC-X: Quantum simulations at extreme scale - reactive dynamics from first principles

We have developed the massively parallel electronic structure code SPARC-X: a computational framework for performing Kohn-Sham Density Functional Theory (DFT) calculations that can scale linearly with the number of atoms in the system, while being able to leverage petascale and emerging exascale parallel computers to study chemical phenomena at unprecedented length and time scales. SPARC-X exploits a recent breakthrough in electronic structure methodologies: systematically improvable, strictly local, orthonormal, discontinuous real-space bases that efficiently and systematically capture the local chemistry of the system. With further adaptation using new machine-learning techniques and the use of the massively parallel Spectral Quadrature (SQ) electronic structure method, the algorithmic complexity and prefactor associated with DFT calculations involving semilocal as well as hybrid functionals are dramatically reduced. Using petascale computational resources, SPARC-X enables quantum mechanical simulations at length and time scales previously accessible only by empirical approaches, e.g., 1,000,000 atoms for a few picoseconds using semilocal functionals or 1,000 atoms for a few picoseconds using hybrid functionals. Using exascale resources, the sizes and times targeted are two orders of magnitude larger. Such a capability has applications in a wide variety of chemical sciences, including reactive interfaces where large length- and/or long time-scales are needed and traditional force fields fail. This is particularly important in dynamic catalysis, where bond breaking and formation must be understood in detail. We developed, tested, and employed the SPARC-X framework to understand the photocatalytic properties of TiO 2 nanoparticles, revealing finite size effects that cannot be captured with standard model systems or functionals. This integrated development and application strategy ensures that SPARC-X remains a robust, efficient, and scalable software package for quantum simulations on current petascale and emerging exascale computing resources.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Intelligent Experiments Through Real-time AI: Fast Data Processing and Autonomous Detector Control for sPHENIX and Future EIC Detectors (Final Report)

The overall vision of this project was to integrate real-time artificial intelligence (AI) directly into the data acquisition and detector-control systems of nuclear physics experiments, including both fast online event selection and an autonomous detector-control feedback loop. The work carried out under the award focused on the fast online event-selection half of that vision: the efficient recording of low-momentum heavy-flavor (HF) hadron decays in proton-proton collisions at the sPHENIX experiment at the Relativistic Heavy Ion Collider (RHIC)—an observable that requires fast tracking and topological trigger selection not previously demonstrated at RHIC, and that is essential for QCD studies at future facilities such as the Electron-Ion Collider (EIC). The autonomous detector-control (GPU-based feedback) component named in the project title remained a design concept and was not implemented under this award. The Massachusetts Institute of Technology (MIT) group led the offline simulation and data processing needed to train the machine-learning (ML) models, the translation of trained models to Field-Programmable Gate Array (FPGA) firmware using the hls4ml framework, and the physics validation of heavy-flavor reconstruction. Over the award period, the team developed and hardware-tested the principal components of an AI-based heavy-flavor trigger on simulated and recorded sPHENIX tracker data: a software Bipartite Graph Attention Network (BiGAT) trigger model reaching > 95% signal efficiency at 99% background rejection; an FPGA-native hit clusterizer matching the offline clustering; smaller networks synthesized to FPGA within the required sub-10 µs latency; and an assembled decoder–clusterizer–inference firmware chain exercised on the FELIX readout board. A complete, fully integrated hardware demonstrator was not finished within the award period. This report documents the project goals, the MIT group’s contributions, the technical accomplishments, and the outlook toward applications at the future EIC ePIC detector.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Validating a Dynamic PWR Safety and Security Model?

Nuclear power plants (NPPs) are assessed for safety and security using separate models that cannot capture how an attacker's decisions and a plant's response unfold together in real time, leaving regulators and operators without a complete picture of true plant vulnerability. Traditional probabilistic risk assessment (PRA) methods treat adversarial events as fixed initiators with predetermined outcomes, and are structurally incapable of representing the time-dependent interplay between physical security events, safety system response, and operator mitigative actions. At Idaho National Laboratory (INL), I contributed to the development and validation of Modeling and Analysis for Safety and Security using the Dynamic EMRALD Framework (MASS-DEF). Where static PRA relies on event-tree logic that cannot evolve mid-scenario, MASS-DEF couples a time-dependent dynamic PRA tool EMRALD (Event Modeling Risk Assessment using Linked Diagrams) with attack simulation software, allowing attacker behavior, plant system states, and operator actions to interact across time. My work focused on validating a general Pressurized Water Reactor (PWR) model. I traced model logic against PWR plant to identified errors in logic and confirm accuracy. I then built and tested attack scenarios against a general PWR model to verify that the model produced expected outcomes across all logical pathways. I also contributed a section to a related technical paper applying the same EMRALD platform to radiation dose modeling. Results show that MASS-DEF can quantitatively demonstrate that many plants exceed their regulatory security thresholds. This demonstrated margin provides a technically defensible basis for reducing the number of guards without compromising regulatory compliance. Physical security costs represent roughly 10% of annual operating budgets, making such reductions directly meaningful to INL's mission of sustaining existing commercial NPPs. This internship strengthened my understanding of nuclear systems, probabilistic modeling, and technical writing, and has solidified my pursuit of a career at a national laboratory.

98 - NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL↗
DOE OSTI2021

Towards performance portability in the Spark astrophysical magnetohydrodynamics solver in the Flash-X simulation framework

Simulations of core-collapse supernovae, and other astrophysical phenomena, are quintessential extreme-scale computing challenges. For core-collapse supernova simulations to be carried out by the ExaStar project under the Exascale Computing Project umbrella, a robust, efficient, and state-of-the-art magnetohydrodynamics solver is a critical requirement. In Flash-X, the primary software instrument for ExaStar, a new magnetohydrodynamics solver has been designed and implemented from the ground up to achieve accuracy and efficiency for simulations of complex astrophysical flows. This new solver, dubbed Spark, uses high-order spatial reconstruction, Runge-Kutta time integration, and an efficient cell-centered approach to satisfying the divergence-free condition for the magnetic fields. Spark was written to be optimized for data locality in cache hierarchy of CPUs. Since data locality optimizations for cache hierarchy are not directly compatible with those of accelerators, we have taken the approach of using program synthesis to avoid massive amounts of code replication that would be necessary if we were to maintain two different versions of the solver. Our program synthesis relies on a simple key-dictionary approach, implemented in python, that enables us to assemble the version of the solver suitable for the target hardware from code fragments identified by specific keys. In this work, we describe the data locality optimizations of the solver for CPUs and accelerators and the program synthesis tools that enable this portability. We also detail the parallel performance of Spark for both CPUs and accelerators.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Accelerating science: The usage of commercial clouds in ATLAS Distributed Computing

The ATLAS experiment at CERN is one of the largest scientific machines built to date and will have ever growing computing needs as the Large Hadron Collider collects an increasingly larger volume of data over the next 20 years. ATLAS is conducting R&D projects on Amazon Web Services and Google Cloud as complementary resources for distributed computing, focusing on some of the key features of commercial clouds: lightweight operation, elasticity and availability of multiple chip architectures. The proof of concept phases have concluded with the cloud-native, vendoragnostic integration with the experiment’s data and workload management frameworks. Google Cloud has been used to evaluate elastic batch computing, ramping up ephemeral clusters of up to O(100k) cores to process tasks requiring quick turnaround. Amazon Web Services has been exploited for the successful physics validation of the Athena simulation software on ARM processors. We have also set up an interactive facility for physics analysis allowing endusers to spin up private, on-demand clusters for parallel computing with up to 4 000 cores, or run GPU enabled notebooks and jobs for machine learning applications. The success of the proof of concept phases has led to the extension of the Google Cloud project, where ATLAS will study the total cost of ownership of a production cloud site during 15 months with 10k cores on average, fully integrated with distributed grid computing resources and continue the R&D projects.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Improved Axisymmetric and High Temperature Material Structural Modeling in MOOSE and NEML

This report describes improvements made to the solid mechanics formulation in the MOOSE open source finite element simulation environment and the open source Nuclear Engineering Material model Library (NEML) for mechanical constitutive models. The focus of these improvements is to improve the usability and performance of simulations involving one or both pieces of software. Specifically, this work completes a new system for solid mechanics simulations in the MOOSE ecosystem providing exact linearizations and optimal (quadratic) convergence, for a variety of coordinate systems and material types, including large deformation simulations. This work then provides users a framework to build highly efficient mechanical simulations of structures or materials or to couple in additional MOOSE physics modules to build complex, scalable multiphysics simulations.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Assessment of Cloud-Based Applications Enabling a Scalable Risk-Informed Predictive Maintenance Strategy Across the Nuclear Fleet

The current light water reactor fleet uses time-based or failure-based maintenance strategies to achieve high-capacity factors. But to make nuclear more competitive in the energy market, these reactors could utilize emerging technologies in terms of artificial intelligence (AI) and cloud computing to enable a cost-effective, predictive maintenance strategy. This report examines the feasibility of cloud computing for the nuclear industry’s needs in terms of the cloud’s computing capabilities, feasibility, and regulatory concerns. The technical viability of cloud computing was analyzed using one year worth of data from a boiling water reactor’s safety relief valve. Models were hosted on a local desktop, Idaho National Laboratory’s high-performance computer, and Microsoft Azure. Data was loaded, processed, and two types of models were trained in an A/B fashion. Based on the speed at which these actions were completed, it was used to determined that cloud computing has adequate computing resources. Additionally, the computing power can scale with the demanded load. To enable cloud computing in the existing fleet, additional sensors, networks, and other requirements must be implemented to ensure a smooth transition from current maintenance strategies. However, there is a benefit as the plant no longer needs manage their own servers, software, cybersecurity, and IT support staff. Many of these features can be offloaded on to the cloud provider. A comprehensive analysis was completed that showed the current annual cost of operating is more expensive than using cloud computing resources. Lastly, the regulatory framework does not explicitly address AI or autonomous control. Currently, the NRC and other regulatory bodies are evaluating providing guidance to address gaps rather than new regulations to address the use of AI and ML. But since many of the AI applications are focused on non-safety related applications, such as balance-of-plant components, they will likely have little or no regulatory restrictions or necessary approvals. Demonstrating how AI can improve maintenance and operation of these non-safety related systems seems like the likely path forward for implementing AI and cloud computing resources inside nuclear power plants (NPPs).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Dynamic Probabilistic Safety Assessment Studies for Advanced Reactor Using RAVEN

Probabilistic Safety Assessment (PSA) is used extensively to evaluate the risks associated with complex engineering systems like Nuclear Power Plants (NPPs). Current PSA models are based on the Event-Tree/Fault-Tree (ET/FT) methodology. ET and FT models are static and are based on Boolean logic approaches. In the past, concerns have been raised in the literature regarding the capability of the traditional static modelling approaches to adequately account for the impact of process, hardware, software, firmware and human interactions on the stochastic system behaviour. To overcome the limitations of the traditional approach to PSA, several dynamic PSA methodologies have been proposed. One of the dynamic PSA methodologies used for dynamic evaluations is Dynamic Event Tree (DET) framework which can be used to assess the impact of the parameter variability and scenario dynamics on the PSA model for the initiating event. The DET framework couples the stochastic model (number of component/trains that start on demand, operator action timing, etc.) with a Thermal-Hydraulic (TH) model of the plant. This paper explores the use of DET along with a case study on advanced reactor. The initiating event selected for the study was Class IV power supply failure event. The TH analysis considering uncertainty in various parameters was performed using RELAP5 and Reactor Analysis and Virtual control ENvironment (RAVEN) tool. Based on the uncertainty analysis, it is concluded that the peak clad temperatures (PCT) are within the limits in all the code runs implying a high-degree of safety margin. However, variation in time to reach the PCT was observed among the code runs and the mean time to reach the PCT was found to be around 8590sec (approximately 2.4 hours). Hence, sufficient time margin is available for human intervention and the operator might have a relatively stress-free state during such an accident scenario. Due to the static nature of the traditional PSA models, the safety margin available was lesser, whereas, with the help of dynamic PSA models, one can demonstrate that the actual available safety margin is more in the present case study and is valuable input from the design point of view.

99 GENERAL AND MISCELLANEOUS↗