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DOE OSTI2019

PRIMA-X - Performance Retargeting of Instrumentation, Measurement, and Analysis Technologies for Exascale Computing

The PRIMA-X (Performance Retargeting of Instrumentation, Measurement, and Analysis Technologies for Exascale Computing) project is the successor of the DOE PRIMA (Performance Refactoring of Instrumentation, Measurement, and Analysis Technologies for Petascale Computing) project, which addressed the challenge of creating a core measurement infrastructure that would serve as a common platform for both integrating leading parallel performance systems (notably TAU and Scalasca) and developing next-generation scalable performance tools. The PRIMA-X project shifts the focus away from refactorization of robust performance tools towards a re-targeting of the parallel performance measurement and analysis architecture for extreme scales. The massive concurrency, asynchronous execution dynamics, hardware heterogeneity, and multi-objective prerequisites (performance, power, resilience) that identify exascale systems introduce fundamental constraints on the ability to carry forward existing performance methodologies. In particular, there must be a deemphasis of per-thread observation techniques to significantly reduce the otherwise unsustainable flood of redundant performance data. Instead, it will be necessary to assimilate multi-level resource observations into macroscopic performance views, from which resilient performance metrics can be attributed to the computational features of the application. This requires a scalable framework for node-level and system-wide monitoring and runtime analyses of dynamic performance information. Also, the interest in optimizing parallelism parameters with respect to performance and energy drives the integration of tool capabilities in the exascale environment further. Initially, PRIMA-X was a collaborative project between the University of Oregon (lead institution) and the German Research School for Simulation Sciences (GRS). Because Prof. Wolf, the PI at GRS, accepted a position as full professor at Technische Universitaet Darmstadt (TU Darmstadt) starting February 1st, 2015, the work of GRS was continued at TU Darmstadt. This report covers the work at TU Darmstadt after the transition. The first main accomplishment of TU Darmstadt is the development of different techniques to aggregate performance data on the level of threads. TU Darmstadt evaluated different schemes designed at GRS during the first phase of this project and integrated them into Score-P, a widely used performance measurement framework for HPC applications. The second main accomplishment is a substantial increase of Score-P’s scalability, achieved by improving its internal representation of the underlying system. Third, we extended our performance-modeling tool Extra-P to automatically create models with more than one input parameter (e.g., process count and input size), which was previously impossible. These models allow the performance behavior of an application to be extrapolated to larger machines. Specific applications of the new multi-parameter capability realized in this project include modeling the isoefficiency function of task-based applications and a novel co-design methodology. Further extensions of Extra-P comprise online modeling functionality, automatic refinement of the model search space, and segmented performance modeling. Further contributions include new locality metrics for both shared- and distributed-memory applications, a new way of measuring the impact of inter-application inference on the execution time of an application, and finally an automatic method that selects appropriate OpenMP constructs for the parallelization of sequential code and classifies the affected variables based on their sharing semantics.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1997

International Ultraviolet Explorer Final Archive

CSC processed IUE images through the Final Archive Data Processing System. Raw images were obtained from both NDADS and the IUEGTC optical disk platters for processing on the Alpha cluster, and from the IUEGTC optical disk platters for DECstation processing. Input parameters were obtained from the IUE database. Backup tapes of data to send to VILSPA were routinely made on the Alpha cluster. IPC handled more than 263 requests for priority NEWSIPS processing during the contract. Staff members also answered various questions and requests for information and sent copies of IUE documents to requesters. CSC implemented new processing capabilities into the NEWSIPS processing systems as they became available. In addition, steps were taken to improve efficiency and throughput whenever possible. The node TORTE was reconfigured as the I/O server for Alpha processing in May. The number of Alpha nodes used for the NEWSIPS processing queue was increased to a maximum of six in measured fashion in order to understand the dependence of throughput on the number of nodes and to be able to recognize when a point of diminishing returns was reached. With Project approval, generation of the VD FITS files was dropped in July. This action not only saved processing time but, even more significantly, also reduced the archive storage media requirements, and the time required to perform the archiving, drastically. The throughput of images verified through CDIVS and processed through NEWSIPS for the contract period is summarized below. The number of images of a given dispersion type and camera that were processed in any given month reflects several factors, including the availability of the required NEWSIPS software system, the availability of the corresponding required calibrations (e.g., the LWR high-dispersion ripple correction and absolute calibration), and the occurrence of reprocessing efforts such as that conducted to incorporate the updated SWP sensitivity-degradation correction in May.

Source record↗

NASA NTRS2007

Modeling Spacecraft Fuel Slosh at Embry-Riddle Aeronautical University

As a NASA-sponsored GSRP Fellow, I worked with other researchers and analysts at Embry-Riddle Aeronautical University and NASA's ELV Division to investigate the effect of spacecraft fuel slosh. NASA's research into the effects of fuel slosh includes modeling the response in full-sized tanks using equipment such as the Spinning Slosh Test Rig (SSTR), located at Southwest Research Institute (SwRI). NASA and SwRI engineers analyze data taken from SSTR runs and hand-derive equations of motion to identify model parameters and characterize the sloshing motion. With guidance from my faculty advisor, Dr. Sathya Gangadharan, and NASA flight controls analysts James Sudermann and Charles Walker, I set out to automate this parameter identification process by building a simple physical experimental setup to model free surface slosh in a spherical tank with a simple pendulum analog. This setup was then modeled using Simulink and SimMechanics. The Simulink Parameter Estimation Tool was then used to identify the model parameters.

Schlee, Keith L.↗

NASA NTRS1986

UCMS - A new signal parameter measurement system using digital signal processing techniques

The User Constraint Measurement System (UCMS) is a hardware/software package developed by NASA Goddard to measure the signal parameter constraints of the user transponder in the TDRSS environment by means of an all-digital signal sampling technique. An account is presently given of the features of UCMS design and of its performance capabilities and applications; attention is given to such important aspects of the system as RF interface parameter definitions, hardware minimization, the emphasis on offline software signal processing, and end-to-end link performance. Applications to the measurement of other signal parameters are also discussed.

Choi, H. J.↗

DOE OSTI2019

The sensitivity of the forest carbon budget shifts across processes along with stand development and climate change

Abstract The future trajectory of atmospheric CO 2 concentration depends on the development of the terrestrial carbon sink, which in turn is influenced by forest dynamics under changing environmental conditions. An in‐depth understanding of model sensitivities and uncertainties in non‐steady‐state conditions is necessary for reliable and robust projections of forest development and under scenarios of global warming and CO 2 enrichment. Here, we systematically assessed if a biogeochemical process‐based model (3D‐CMCC‐CNR), which embeds similarities with many other vegetation models, applied in simulating net primary productivity (NPP) and standing woody biomass (SWB), maintained a consistent sensitivity to its 55 input parameters through time, during forest ageing and structuring as well as under climate change scenarios. Overall, the model applied at three contrasting European forests showed low sensitivity to the majority of its parameters. Interestingly, model sensitivity to parameters varied through the course of >100 yr of simulations. In particular, the model showed a large responsiveness to the allometric parameters used for initialize forest carbon and nitrogen pools early in forest simulation (i.e., for NPP up to ~37%, 256 g C·m −2 ·yr −1 and for SWB up to ~90%, 65 Mg C/ha, when compared to standard simulation), with this sensitivity decreasing sharply during forest development. At medium to longer time scales, and under climate change scenarios, the model became increasingly more sensitive to additional and/or different parameters controlling biomass accumulation and autotrophic respiration (i.e., for NPP up to ~30%, 167 g C·m −2 ·yr −1 and for SWB up to ~24%, 64 Mg C/ha, when compared to standard simulation). Interestingly, model outputs were shown to be more sensitive to parameters and processes controlling stand development rather than to climate change (i.e., warming and changes in atmospheric CO 2 concentration) itself although model sensitivities were generally higher under climate change scenarios. Our results suggest the need for sensitivity and uncertainty analyses that cover multiple temporal scales along forest developmental stages to better assess the potential of future forests to act as a global terrestrial carbon sink.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Differentiable Simulation of a Liquid Argon Time Projection Chamber

Liquid argon time projection chambers (LArTPCs) are widely used in particle detection for their tracking and calorimetric capabilities. The particle physics community actively builds and improves high-quality simulators for such detectors in order to develop physics analyses in a realistic setting. The ability of these simulators to mimic real, measured data is limited by the modeling of the physical detectors used for data collection. This modeling can be improved by performing dedicated calibration measurements. Conventional approaches calibrate individual detector parameters or processes one at a time. However, the impact of detector processes is entangled, making this a poor description of the underlying physics. We introduce a differentiable simulator that enables a gradient-based optimization, allowing for the first time a simultaneous calibration of all detector parameters. We describe the procedure of making a differentiable simulator, highlighting the challenges of retaining the physics quality of the standard, non-differentiable version while providing meaningful gradient information. We further discuss the advantages and drawbacks of using our differentiable simulator for calibration. Finally, we provide a starting point for extensions to our approach, including applications of the differentiable simulator to physics analysis pipelines.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

Automation of Nanoparticle Synthesis Processes in a Plasma Environment Using LabVIEW

This work presents an automated control system for the synthesis of nanomaterials by plasma-enhanced chemical vapor deposition (PECVD), implemented using the LabVIEW software environment. The main objective of the study is to develop an integrated hardware-software platform that enables sequential control of the key stages of the PECVD process, including vacuum chamber preparation, pressure monitoring, working gas supply, plasma ignition, power matching, cyclic nanomaterial growth, and optical monitoring of nanoparticles in the plasma environment. The use of LabVIEW made it possible to integrate actuator control, experimental parameter acquisition, and realtime process visualization within a single automated system. The automated cycle begins with evacuation of the reaction chamber to a predefined base pressure. Transition to the next stage is permitted only after the specified pressure threshold has been reached, ensuring reproducible initial conditions for each experiment. The program then controls the supply of the working gas through mass flow controllers (MFCs). In this work, two gas-flow control modes were considered: analog control using a 0-5 V voltage signal and digital communication via RS-232 interface. It was shown that the analog approach requires accurate scaling of the control voltage, since applying 5 V corresponds to full-scale opening of the controller and results in the maximum gas flow. In contrast, the RS232 interface enables the gas flow rate to be specified directly in sccm, improving the accuracy, flexibility, and convenience of gas-environment control. After pressure stabilization, LabVIEW initiates RF plasma ignition and executes the RF matching algorithm aimed at minimizing reflected power and improving the stability of the plasma process. A separate software module implements the cyclic nanomaterial growth mode, in which the plasma-on time, plasma duration, and total number of synthesis cycles are predefined. This approach makes it possible to control material accumulation on the substrate and to correlate the process parameters with the morphological characteristics of the resulting nanostructures. The final module of the system is designed for optical monitoring of the nanoparticle cloud density in dusty plasma. For this purpose, the change in the intensity of laser radiation passing through the plasma region is recorded using a photodetector and a Keithley 2401 measuring unit connected to LabVIEW via RS-232 interface. The difference between the initial and modified optical signal intensity is used as a diagnostic parameter characterizing the formation and temporal evolution of nanoparticles. The developed system demonstrates that LabVIEW can be effectively applied not only for the automation of individual instruments, but also for the implementation of a complete digital control cycle for PECVD-based nanomaterial synthesis.

PECVD↗

NASA NTRS1996

Solidification Interface Shape and Location During Processing in High Gradient Furnace with Quench

High Gradient Furnace with Quench (HGFQ) is being developed to facilitate metals processing experiments aboard the International Space Station. The sample is centered in an annular furnace and is held fixed during processing. The furnace itself is made to translate over the sample. Once in process, heat will flow through the sample from the Heater Zone to the Chill Zone. If operating conditions are correct, the solidification interface will stand in the gradient zone. Objectives of the HGFQ process are to provide a high gradient for the solidification with the solidification interface properly positioned in the gradient zone. At the recent RDR for HGFQ, one of the panelists raised the question about the suitability of HGFQ for potential future PIs. Specifically, it was stated by the design team at RDR that the present HGFQ design would provide a radius of curvature of the solidification interface of at least one sample diameter. The RDR panel argued that this was too small, and that most investigators would need a radius of curvature larger than this. The requirements established by the current PIs are shown. These requirements do not contain any specification about the interface shape. However, these requirements do define the envelope of operational parameters for HGFQ. The objectives of the present investigation are to 1) determine a suitable means of quantifying the interface shape, and 2) investigate the interface shape and how it is affected by processing parameters. The processing parameters to be considered are 1) sample material, 2) sample diameter, and 3) gradient zone length.

Woodbury, Keith A.↗

DOE OSTI2022

Particle-in-cell modeling of plasma jet merging in the large-Hall-parameter regime

The merging process of magnetized plasma jets with parameters relevant to the plasma-jet-driven magneto-inertial fusion (PJMIF) design and the plasma liner experiment (PLX) is modeled by fully kinetic particle-in-cell (PIC) simulations in one and two spatial dimensions. Here, the modified two-stream instability is identified to be the main mechanism responsible for stopping the plasma jets and preventing species interpenetration. The electron and ion Hall parameters of the merged plasma are greater than unity, and the plasma β is close to unity, which is the desired characteristic of planned experiments at PLX. Our 2D PIC simulations validate the results of the radiation magneto-hydrodynamics code FLASH, which will be the primary tool for modeling various stages of future PJMIF experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1995

Evaluation of control parameters for Spray-In-Air (SIA) aqueous cleaning for shuttle RSRM hardware

HD-2 grease is deliberately applied to Shuttle Redesigned Solid Rocket Motor (RSRM) D6AC steel hardware parts as a temporary protective coating for storage and shipping. This HD-2 grease is the most common form of surface contamination on RSRM hardware and must be removed prior to subsequent surface treatment. Failure to achieve an acceptable level of cleanliness (HD-2 calcium grease removal) is a common cause of defect incidence. Common failures from ineffective cleaning include poor adhesion of surface coatings, reduced bond performance of structural adhesives, and failure to pass cleanliness inspection standards. The RSRM hardware is currently cleaned and refurbished using methyl chloroform (1,1,1-trichloroethane). This chlorinated solvent is mandated for elimination due to its ozone depleting characteristics. This report describes an experimental study of an aqueous cleaning system (which uses Brulin 815 GD) as a replacement for methyl chloroform. Evaluation of process control parameters for this cleaner are discussed as well as cleaning mechanisms for a spray-in-air process.

Davis, S. J.↗

NASA NTRS1988

Processing, physical metallurgy and creep of NiAl + Ta and NiAl + Nb alloys

Powder processed NiAl + Ta alloys containing 1, 2, and 4.5 at percent tantalum and NiAl + Nb alloys containing 1 and 2 at percent niobium were developed for improved creep properties. In addition, a cast alloy with 5 at percent tantalum was also studied. Hot extrusion parameters for processing alloys with 1 and 2 at percent of tantalum or niobium were designed. The NiAl + 4.5 at percent Ta alloy could be vacuum hot pressed successfully, even though it could not be extruded. All the phases in the multiphase alloys were identified and the phase transformations studied. The Ni2AlTa in NiAl + 4.5 at percent Ta alloy transforms into a liquid phase above 1700 K. Solutionizing and annealing below this temperature gives rise to a uniform distribution of fine second phase precipitates. Compressive creep properties were evaluated at 1300 K using constant load and constant velocity tests. In the higher strain rate region single phase NiAl + 1 at percent Ta and NiAl + 1 at percent Nb alloys exhibit a stress exponent of 5 characteristic of climb controlled dislocation creep. In slower strain rate regime diffusional creep becomes important. The two phase alloys containing 2 to 5 at percent Ta and 2 at percent Nb show considerable improvement over binary NiAl and single phase alloys. Loose dislocation networks and tangles stabilized by the precipitates were found in the as crept microstructure. The cast alloy which has larger grains and a distribution of fine precipitates shows the maximum improvement over binary NiAl.

Pathare, Viren M.↗

DOE OSTI2022

Tsuchinoko v1.0.0

Tsuchinoko is a Qt application for adaptive experiment execution and tuning. Live visualizations show details of measurements, and provide feedback on the adaptive engine's decision-making process. The parameters of the adaptive engine can also be tuned live to explore and optimize the search procedure. While Tsuchinoko is designed to allow custom adaptive engines to drive experiments, the gpCAM engine is a featured inclusion. This tool is based on a flexible and powerful Gaussian process regression at the core. A Tsuchinoko system includes 4 distinct components: the GUI client, an adaptive engine, and execution engine, and a core service. These components are separable to allow flexibility with a variety of distributed designs.

Pandolfi, Ronald↗

DOE OSTI2021

Geo Thermal Cloud: Cloud Fusion of Big Data and Multi-Physics Models using Machine Learning for Discovery, Exploration, and Development of Hidden Geothermal Resources

The project is motivated by the challenges, risks, and costs associated with geothermal exploration and production. Many processes and parameters impacting geothermal conditions are poorly understood. Diverse datasets are available to help characterize subsurface geothermal conditions (public and proprietary; satellite, airborne surveys, vegetation/water sampling, geological, geophysical, etc.). Yet, it is not clear how to properly leverage these datasets for geothermal exploration due to an incomplete understanding of how physical processes impacting subsurface geothermal conditions are represented in these observations. Recent advancements in machine learning (ML) provide great promise to resolve these issues. The tremendous challenges and risks of geothermal exploration and production bring the demand for novel ML methods and tools that can (1) analyze large field datasets, (2) assimilate model simulations (large inputs and outputs), (3) process sparse datasets, (4) perform transfer learning (between sites with different exploratory levels), (5) extract hidden geothermal signatures in the field and simulation data, (6) label geothermal resources and processes, (7) identify high-value data acquisition targets, and (8) guide geothermal exploration and production by selecting optimal exploration, production, and drilling strategies. Our goals and work under Phases 1 and 2 (as proposed) of this project address all these needs.

15 GEOTHERMAL ENERGY↗

NASA NTRS1973

Orbit determination for low-thrust spacecraft: Concepts and analysis

Earth-based orbit determination capability for SEP spacecraft in multistation tracking and in thrust subsystem error modeling is described. Five different tracking strategies are applied to a 15 day segment of an Encke rendezvous mission. Both optimal and suboptimal orbit determination performance are determined for a wide range of process noise parameter values. The multi-station tracking techniques are found to be extremely effective, reducing orbit determination errors by orders of magnitude over that obtained with conventional single-station tracking. Explicitly differenced multistation data (QVLBI) is found to be least sensitive to gross modeling errors, but if a reasonably good process noise model is available, explicit differencing is not required.

Mcdanell, J. P.↗

DOE OSTI2026

HARMONY: Large-Scale Architecture Search for Efficient Hybrid Language Models

As large language models scale to trillions of parameters, their computational and memory requirements present critical challenges for efficient training and deployment. While Mixture of Experts (MoE) architectures enable efficient scaling through sparse parameter activation, and state-space models like Mamba offer linear-time complexity, principled methods for combining these paradigms remain undeveloped. We introduce HARMONY (Hybrid Architecture Research for Mamba, Optimized with Neural efficiencY), a multi-objective evolutionary neural architecture search framework for discovering efficient hybrid language models that integrate Transformer attention mechanisms, Mixture-of-Experts routing, and Mamba state-space components. Through large-scale distributed search using 16,384 MI250X GPUs on the Frontier supercomputer, HARMONY explores a comprehensive design space encompassing six attention variants (MHA, MQA, GQA, MLA, SWA, and Mamba-2), variable MoE configurations with both routed and shared experts, and extensive Mamba hyperparameters. Our framework discovers heterogeneous architectures that balance training performance with computational efficiency through multi-objective optimization incorporating latency penalties and fitness-based selection. Analysis of discovered architectures reveals that optimal hybrid designs favor heterogeneous component mixing rather than homogeneous patterns, with Mamba-2 and Multi-Head Latent Attention (MLA) emerging as preferred mechanisms. Discovered architectures demonstrate superior training efficiency: our best configuration achieves a final perplexity of 1.0874 with 2.38B parameters while processing 4,320 tokens/second, outperforming significantly larger manually designed models. Full-scale evaluation shows HARMONY's top architectures achieve better loss trajectories than equivalently-sized models using state-of-the-art configurations including Mixtral, Jamba, and Samba. Additionally, we demonstrate 91% weak scaling efficiency when training discovered 36B-parameter models across 1,024 GPUs. HARMONY is released as an open framework with comprehensive tools for building and training hybrid models using expert-data-pipeline parallelism, democratizing access to automated architecture design for next-generation language models.

Herron, Emily [ORNL] (ORCID:0000000273008172)↗

DOE OSTI2024

Modeling and ZVS Operation of the Isolated Modular Multilevel DC–DC Converter With a Unified Trapezoidal Wave Modulation

Here, this article introduces a unified trapezoidal wave (UTW) modulation scheme for the isolated modular multilevel dc–dc (IM2dc) converter, which consolidates multiple existing modulation strategies for the IM2dc converter, including the quasi-square wave (QSW) modulation, trapezoidal wave modulation, and sinusoidal wave modulation, into a unified framework. Furthermore, this article introduces the harmonic state-space (HSS) equations to model the IM2dc converter based on the UTW modulation method. The HSS model operates in the frequency domain, enabling it to circumvent the complexities associated with time-domain analysis and seamlessly integrate with the UTW modulation. This article proceeds to analyze the real and reactive power transfer characteristics of the IM2dc converter, as well as the power factor, considering the influence of multiple modulation parameters. Subsequently, it delves into the examination of zero voltage switching (ZVS) conditions for the IM2dc converter based on the UTW modulation and the HSS model. The complete ZVS boundaries of the IM2dc converter, taking various voltage ratios into account, are derived. This article also illustrates the effects of including harmonic orders in the modeling process, modulation parameters, and internal harmonic ripples on the ZVS boundaries. Finally, experimental validation of the analyses is conducted on a down-scaled prototype.

42 ENGINEERING↗

NASA NTRSDate not supplied

IMPACT User Experience

NASA Human Research Project (HRP) and Exploration Medical Capabilities (ExMC) team identified a need to implement a human-centered design approach for a computational tool that performs detailed trade space analysis and research prioritization, known as Informing Mission Planning via Analysis of Complex Tradespaces (IMPACT). IMPACT processes numerous parameters such as space vehicle design, mission objectives, evacuation capability, medical events, and mission constraint, including but not limited to; duration, mass, volume, equipment, and medical capability, each with complex and interconnected relationships. The ability for users to navigate through these complexities and provide an intuitive report is critical to aiding stakeholders in the decision-making process of future missions. In this presentation we will discuss how the IMPACT team has applied human-centered design strategies to improve system usability by modelling human-system integration (i.e., task analysis) with the MagicDraw SysML modelling application and performing A/B testing of user interface prototypes.

S Ozbek↗

DOE OSTI2026

A Statistician’s Overview of Physics-Informed Neural Networks for Spatio-Temporal Data

The recent success of deep neural network models with physical constraints (so-called, Physics-Informed Neural Networks, PINNs) has led to renewed interest in the incorporation of mechanistic information in predictive models. Statisticians and others have long been interested in this problem, which has led to several practical and innovative solutions dating back decades. In this overview, we focus on the problem of data-driven prediction and inference of dynamic spatio-temporal processes that include mechanistic information, such as would be available from partial differential equations, with a strong focus on the quantification of uncertainty associated with data, process, and parameters. Here, we give a brief review of several paradigms and focus our attention on Bayesian implementations given they naturally accommodate uncertainty quantification. We then show that it is straight-forward to include the Bayesian PINN (B-PINN) within the Bayesian hierarchical model (BHM) framework that has long been considered for modeling dynamic spatio-temporal processes. Such a BHM-PINN is illustrated via a simulation study in which a latent nonlinear Burgers’ equation PDE governs the dynamics of Poisson distributed spatio-temporal data. Supplementary materials for this article are available online, including a standardized description of the materials available for reproducing the work.

Bayesian↗