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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.

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At least 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

A Flang Plugin for Fortran Feature Characterization

As new compute systems are developed, there is still a need to compile and execute codes authored in Fortran on these leading edge systems. In order to achieve this, development of compilers that support the latest hardware is continuously under development. Though the specification of Fortran is extensive, it is helpful to compiler authors to be able to prioritize the development of key features in order to get certain codes deemed important, e.g., applications of interest to leadership computing facilities, executable on leading edge compute systems. Identifying key features though is largely done through querying software experts or users of the Fortran applications of interest, who then manually report what features are and are not present. This exercise can both time consuming and error prone. To automate this process, we present a compiler plugin to Flang, the Fortran frontend for LLVM. This plugin is a tool that operates on the parse tree representation generated by Flang and detects key features based on walking parse tree nodes that correspond to features of interest. We show the result of our tool on four applications, three of which were manually profiled by software experts. We show the discrepancies between our tool and the manual characterization of the three applications, as well as generate a characterization for an application not yet profiled. We intend to open-source our tool in order to invite the community to benefit from the tool and make contributions for other features.

Cabrera, Anthony [ORNL]↗
DOE OSTI2021

Gen 3 Particle Pilot Plant (G3P3) -- High-Temperature Particle System for Concentrating Solar Power (Phases 1 and 2)

The U.S. Department of Energy Solar Energy Technologies Office initiated the Generation 3 Concentrating Solar Power (CSP) program to achieve higher operating temperatures (>700 °C) to enable next-generation CSP high-temperature power cycles such as the supercritical CO 2 (sCO2) Brayton Cycle. Three teams were selected to pursue high-temperature gas, liquid, and solid pathways for the heat-transfer media. Phases 1 and 2, which lasted from 2018 – 2020, consisted of design, modeling, and testing activities to further de-risk each of the technologies and develop a design for construction, commissioning, and operation of a pilot-scale facility in Phase 3 (2021 – 2024). This report summarizes the activities in Phases 1 and 2 for the solid-particle pathway led by Sandia National Laboratories. In Phases 1 and 2, Sandia successfully de-risked key elements of the proposed Gen 3 Particle Pilot Plant (G3P3) by improving the design, operation, and performance of key particle component technologies including the receiver, storage bins, particle-to-sCO2 heat exchanger, particle lift, and data acquisition and controls. Modeling and testing of critical components have led to optimized designs that meet desired performance metrics. Detailed drawings, piping and instrumentation diagrams, and process flow diagrams were generated for the integrated system, and structural analyses of the assembled tower structure were performed to demonstrate compliance with relevant codes and standards. Instrumentation and control systems of key subsystems were also demonstrated. Together with Bridgers & Paxton, Bohannan Huston, and Sandia Facilities, we have completed a 100% G3P3 tower design package with stamped engineering drawings suitable for construction bid in Phase 3.

14 SOLAR ENERGY↗
DOE OSTI2022

COMPOFF: A Compiler Cost model using Machine Learning to predict the Cost of OpenMP Offloading

The HPC industry is inexorably moving towards an era of extremely heterogeneous architectures, with more devices configured on any given HPC platform and potentially more kinds of devices, some of them highly specialized. Writing a separate code suitable for each target system for a given HPC application is not practical. The better solution is to use directive-based parallel programming models such as OpenMP. OpenMP provides a number of options for offloading a piece of code to devices like GPUs. To select the best option from such options during compilation, most modern compilers use analytical models to estimate the cost of executing the original code and the different offloading code variants. Building such an analytical model for compilers is a difficult task that necessitates a lot of effort on the part of a compiler engineer. Recently, machine learning techniques have been successfully applied to build cost models for a variety of compiler optimization problems. In this paper, we present COMPOFF, a cost model which uses the multi-layer perceptrons to statically estimates the Cost of OpenMP OFFloading. We used six different transformations on a parallel code of Wilson Dslash Operator to support GPU offloading, and we predicted their cost of execution on different GPUs using COMPOFF during compile time. Our results show that this model can predict offloading costs with a root mean squared error in prediction of less than 0.5 seconds. Our preliminary findings indicate that this work will make it much easier and faster for scientists and compiler developers to port legacy HPC applications that use OpenMP to new heterogeneous computing environment.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Space weather observations, modeling, and alerts in support of human exploration of Mars

Space weather observations and modeling at Mars have begun but they must be significantly increased to support the future of Human Exploration on the Red Planet. A comprehensive space weather understanding of a planet without a global magnetosphere and a thin atmosphere is very different from our situation at Earth so there is substantial fundamental research remaining. It is expected that the development of suitable models will lead to a comprehensive operational Mars space weather alert (MSWA) system that would provide rapid dissemination of information to Earth controllers, astronauts in transit, and those in the exploration zone (EZ) on the surface by producing alerts that are delivered rapidly and are actionable. To illustrate the importance of such a system, we use a magnetohydrodynamic code to model an extreme Carrington-type coronal mass ejection (CME) event at Mars. The results show a significant induced surface field of nearly 3,000 nT on the dayside that could radically affect unprotected electrical systems that would dramatically impact human survival on Mars. Other associated problems include coronal mass ejection (CME) shock-driven acceleration of solar energetic particles producing large doses of ionizing radiation at the Martian surface. In summary, along with working more closely with international partners, the next Heliophysics Decadal Survey must include a new initiative to meet expected demands for space weather forecasting in support of humans living and working on the surface of Mars. It will require significant effort to coordinate NASA and the international community contributions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Evaluating the effectiveness of program data features for guiding memory management

Recent trends have led to the adoption of larger and more complex memory systems, often with multiple tiers of memory performance within the same platform. To utilize complex memory systems efficiently, current data management strategies must be altered to map usage demands to the underlying hardware. Applications, as the generators of memory accesses, are well-suited to guide this process, but building and maintaining separate source code versions for different memory systems is not feasible in most cases. One potential solution is to employ automated program profiling and analysis to facilitate the production of application-based guidance. By attaching memory usage information to static or lightweight program features, compilers and runtime systems can generate fine-grained guidance without additional efforts from users or developers. Recent works have employed this approach with some success, but it is not clear which program features are most useful for guiding data management.This work evaluates the effectiveness of using different program data features to predict memory usage and guide memory management. It employs a custom set of simulation tools, based in the Intel® Pin framework, to collect and analyze the usage characteristics of application data associated with common program data features, such as allocation sites, types, and context. The results show that even relatively simple features, such as object size, are useful for selecting data with similar usage properties, but finer-grained features, such as the instructions that access a particular object, are often much more effective. Additionally, this work evaluates the performance of using different data features and different program inputs to guide data placement on a heterogeneous memory platform with a limited amount of high performance memory.

Effler, T. Chad↗
DOE OSTI2024

The Santa Barbara Binary-disk Code Comparison

We have performed numerical calculations of a binary interacting with a gas disk, using 11 different numerical methods and a standard binary-disk setup. The goal of this study is to determine whether all codes agree on a numerically converged solution and to determine the necessary resolution for convergence and the number of binary orbits that must be computed to reach an agreed-upon relaxed state of the binary-disk system. We find that all codes can agree on a converged solution (depending on the diagnostic being measured). The zone spacing required for most codes to reach a converged measurement of the torques applied to the binary by the disk is roughly 1% of the binary separation in the vicinity of the binary components. For our disk model to reach a relaxed state, codes must be run for at least 200 binary orbits, corresponding to about a viscous time for our parameters, 0.2(a 2 Ω B /v) is the kinematic viscosity. The largest discrepancies between codes resulted from the dimensionality of the setup (3D vs. 2D disks). We find good agreement in the total torque on the binary between codes, although the partition of this torque between the gravitational torque, orbital accretion torque, and spin accretion torque depends sensitively on the sink prescriptions employed. In agreement with previous studies, we find a modest difference in torques and accretion variability between 2D and 3D disk models. We find cavity precession rates to be appreciably faster in 3D than in 2D.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

ARCS Replacement at TREAT for TRTR 2020 - Abstract

The Transient REActor Test (TREAT) facility was restarted in 2017 to perform reactor fuels testing under transient conditions, following shutdown in 1994 and 23 years in non-operational standby. TREAT is a transient reactor that, like most pulsing reactors, can create natural shaped power pulses. However, TREAT provides the ability to shape the power pulse and control the energy deposition rate on the test specimens by automatically controlling the amount of reactivity insertion over time. The original automatic reactor control system (ARCS) was created in the 1980s using INTEL 8086 CPU boards and software written in assembly code. The need to maintain the system for the next 40+ years of TREAT life led to the decision to replace ARCS with modern hardware while maintaining the original functionality. After a prototyping effort, the replacement was successfully completed in the first quarter of 2020. The process and results of that effort are reported here.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Extracting Topological Orders of Generalized Pauli Stabilizer Codes in Two Dimensions

In this paper, we introduce an algorithm for extracting topological data from translation invariant generalized Pauli stabilizer codes in two-dimensional systems, focusing on the analysis of anyon excitations and string operators. The algorithm applies to Z d qudits, including instances where d is a nonprime number. This capability allows the identification of topological orders that differ from the Z d toric codes. It extends our understanding beyond the established theorem that Pauli stabilizer codes for Z p qudits (with p being a prime) are equivalent to finite copies of Z p toric codes and trivial stabilizers. The algorithm is designed to determine all anyons and their string operators, enabling the computation of their fusion rules, topological spins, and braiding statistics. The method converts the identification of topological orders into computational tasks, including Gaussian elimination, the Hermite normal form, and the Smith normal form of truncated Laurent polynomials. Furthermore, the algorithm provides a systematic approach for studying quantum error-correcting codes. We apply it to various codes, such as self-dual CSS quantum codes modified from the two-dimensional honeycomb color code and non-CSS quantum codes that contain the double semion topological order or the six-semion topological order. Published by the American Physical Society 2024

Physics↗
DOE OSTI2021

Enabling Interoperable SCADA Communications for PV Inverters through Embedded Controllers

The percentage integration of photovoltaic (PV) inverters in the field has increased significantly in the past 5 years. Regardless of the size of the PV plants and the inverters (residential vs. commercial), it is becoming crucial that these devices have the capability to communicate with peers (other smart devices) and with components that are at a hierarchy above the inverters (e.g., supervisory control and data acquisition (SCADA) systems, distributed controllers, and data managers). This project aims to develop a standard SCADA software code for inverters’ embedded controllers that will enable interoperability with other components in the system. To achieve this, the code will be developed using two different protocols: Distributed Network Protocol 3 and International Electrotechnical Commission 61850. The developed code is aimed to be deployed in simple embedded controllers. It will be tested in the National Renewable Energy Laboratory’s (NREL’s) Energy Systems Integration Facility. The tested code will then be made available through Triangle MicroWorks’s (TMW’s) software platform. The primary objectives of this project include training the NREL team with TMW’s embedded controller libraries, developing an interoperable communication code for embedded controllers, successfully testing and deploying the code, and demonstrating the newly developed code in a conference.

14 SOLAR ENERGY↗
DOE OSTI2025

ARCS: Agentic Retrieval-Augmented Code Synthesis with Iterative Refinement

Agentic Retrieval-Augmented Code Synthesis with Iterative RefinementIn supercomputing, efficient and optimized code generation is essential to leverage high-performance systems effectively. We have developed Agentic Retrieval-Augmented Code Synthesis (ARCS), an advanced framework for accurate, robust, and efficient code generation, completion, and translation. ARCS integrates Retrieval-Augmented Generation (RAG) with Chain-of-Thought (CoT) reasoning to systematically break down and iteratively refine complex programming tasks. An agent-based RAG mechanism retrieves relevant code snippets, while real-time execution feedback drives the synthesis of candidate solutions. This process is formalized as a state-action search tree optimization, balancing code correctness with editing efficiency. Evaluations on the Geeks4Geeks and HumanEval benchmarks demonstrate that ARCS significantly outperforms traditional prompting methods in translation and generation quality. By enabling scalable and precise code synthesis, ARCS offers transformative potential for automating and optimizing code development in supercomputing applications, enhancing computational resource utilization

Bhattarai, Manish [Los Alamos National Labs]↗
DOE OSTI2021

Malware analysis and recovery

A system and method detects malware by processing notifications from an intrusion detection system and baseline snapshots from an image capture utility. The image capture utility constructs an image of the suspected malware intrusion and links the suspected malware intrusion to the baseline snapshots. The system and method propagates the image of the suspected malware intrusion across multiple networks before it distinguishes malicious code, device state, and files from benign code, device state, and files. Some systems and methods include a malware recovery system that executes machine learning instructions and heuristics to revert a client and/or a remote server to one or more baseline snapshots.

Smith, Jared M.↗
DOE OSTI2023

Neutron (and other Particle) Transport at LANL: An Overview [Presentation]

For decades, Los Alamos National Laboratory has been at the forefront of neutron transport methods research and code development. One such code is PARTISN, the LANL parallel time-dependent discrete ordinate neutron transport code. In this presentation, we describe the various research efforts currently underway by the PARTISN and other code teams. Some examples of current research are a block automated mesh refinement scheme, the application of tensor trains to the discretized neutron transport equation, and GPU code porting. The block automated mesh refinement scheme uses cross section information to refine and coarsen the solution mesh to improve time to solution and reduce memory. The tensor train approach expresses discretized transport operators as tensor products of vectors and matrices to compress the size of linear systems being solved by transport codes. Rather than relying on matrix-free methods such as the transport sweep, we have access to an operator that can be inverted, reshaped, or manipulated algebraically. Finally, we describe how PARTISN is used, what problems we are looking to solve, and what the future holds for neutron transport at LANL. In addition to this, we briefly describe the various research efforts in other particle transport teams using both deterministic and Monte Carlo methods. In the presentation, we list possible opportunities for collaboration between the laboratory and faculty and students.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

TOSS STIG

LLNL HPC systems run a custom version of RedHat's RHEL operating system known as TOSS. In 2022, after working with DISA, Livermore Computing staff completed the STIG (Security Technical Implementation Guide) for the TOSS 4 operating system. This software project contains the source code associated with that STIG and implements checks and remediations for configuring a system in compliance with that STIG.

Lee, Ian↗
DOE OSTI2021

The LISE package: solvers for static and time-dependent superfluid local density approximation equations in three dimensions

Nuclear implementation of the density functional theory (DFT) is at present the only microscopic framework applicable to the whole nuclear landscape. The extension of DFT to superfluid systems in the spirit of the Kohn-Sham approach, the superfluid local density approximation (SLDA) and its extension to time-dependent situations, time-dependent superfluid local density ap- proximation (TDSLDA), have been extensively used to describe various static and dynamical problems in nuclear physics, neutron star crust, and cold atom systems. In this paper, we present the codes that solve the static and time-dependent SLDA equations in three-dimensional coordinate space without any symmetry restriction. These codes are fully parallelized with the message passing interface (MPI) library and take advantage of graphic processing units (GPU) for accelerating execution. The dynamic codes have checkpoint/restart capabilities and for initial conditions one can use any generalized Slater determinant type of wave function. The code can describe a large number of physical problems: nuclear fission, collisions of heavy ions, the interaction of quantized vor- tices with nuclei in the nuclear star crust, excitation of superfluid fermion systems by time dependent external fields, quantum shock waves, domain wall generation and propagation, the dynamics of the Anderson-Bogoliubov-Higgs mode, dynamics of fragmented condensates, vortex rings dynamics, generation and dynamics of quantized vortices, their crossing and recombinations and the incipient phases of quantum turbulence.

Jin, Shi↗
DOE OSTI2022

Model files for estimating snow dynamics and stable water isotopes across the East River, CO.

A coupled hydrologic and snowpack stable water isotope model is used to assesses controls on isotopic inputs across the East River, Colorado, a large, mountainous basin. The hydrologic model uses the semi-empirical, spatially distributed and publicly available U.S. Geological Survey numerical code Precipitation-Modelling Runoff System (PRMS). Water and energy are tracked daily through the atmosphere, canopy and subsurface at a 100-m grid resolution. The isotope mass balance model follows previous work by Ala-aho et al. (2017) to track stable isotopes entering the soil system as snowmelt or rain. Water stores and fluxes needed for the isotope model use hydrologic model output for each timestep and model modeled grid location. This data package provides all files related to the hydrologic model (executable, input and output files), the isotopic model calibration and the historic isotopic model (water years 2015-2020). The isotope model source code and executable are provided. The file "readme.txt" includes information on the file structure, steps to run the model, and description of included folders.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Coupling Noah-Multiparameterization land-surface Model with Energy Research and Forecasting Model

The Energy Research and Forecasting (ERF) model is a high-performance atmospheric model built on the AMReX adaptive mesh refinement (AMR) framework, enabling efficient simulations on heterogeneous computing platforms that combine multicore processors with hardware accelerators. To support land–atmosphere interactions within ERF’s AMR-based environment, a land-surface model must be capable of operating directly on hierarchically refined meshes. In this work, we present a methodology for coupling the Fortran-based Noah-Multiparameterization (Noah-MP) land-surface model with ERF’s C++ codebase. Rather than rewriting Noah-MP, we construct a Fortran–C interoperability layer using CodeScribe, a tool that leverages large language models (LLMs) to automate the generation of interface code. CodeScribe applies structured prompting techniques to generate bindings that support efficient data exchange and function calls between ERF and Noah-MP. The coupling framework also incorporates AMR-aware data handling strategies, allowing NoahMP to operate seamlessly within ERF’s hierarchical mesh structure. This work provides a structured approach for integrating legacy Fortran models into modern C++-based modeling systems using LLM-assisted code generation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Two-step neutronics calculations with Shift and Griffin for advanced reactor systems

This research develops the initial coupling of the Shift Monte Carlo (MC) code and the Griffin reactor physics code for reactor analysis of non–light-water reactor systems. The novelty of this work is twofold. It is the first application of Shift to produce the multigroup cross sections needed for Griffin as applied to a non–light-water reactor system; and, the first investigation and analysis of characteristics of the Empire microreactor benchmark that should be considered for steady state and transient reactor physics calculations. This application uses the previously developed two-step neutronics analysis workflow to demonstrate this initial coupling. Here, we outline the two-step neutronics analysis workflow in which the Shift MC code is used to generate the multigroup cross sections and fluxes needed by the Griffin deterministic solver. Details on how these multigroup cross sections are generated using MC tallies are given, as well as the practicalities and limitations of the two-step neutronics workflow. The Empire microreactor benchmark was used to investigate and validate this coupling. Results using this benchmark show good agreement between Griffin calculations using Serpent-generated cross sections and Shift-generated cross sections. Analysis of the characteristics of this Empire benchmark show larger eigenvalue differences between heterogeneous and pin–homogenized solutions compared to those of traditional light-water reactor (LWR) designs, thus requiring super homogenization factor corrections for accurate eigenvalue and power distribution predictions.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗