Results for “model driven design” — Page 39

DOE OSTI2021

Comparative evaluation of deep learning workloads for leadership-class systems

Deep learning (DL) workloads and their performance at scale are becoming important factors to consider as we design, develop and deploy next-generation high-performance computing systems. Since DL applications rely heavily on DL frameworks and underlying compute (CPU/GPU) stacks, it is essential to gain a holistic understanding from compute kernels, models, and frameworks of popular DL stacks, and to assess their impact on science-driven, mission-critical applications. At Oak Ridge Leadership Computing Facility (OLCF), we employ a set of micro and macro DL benchmarks established through the Collaboration of Oak Ridge, Argonne, and Livermore (CORAL) to evaluate the AI readiness of our next-generation supercomputers. In this paper, we present our early observations and performance benchmark comparisons between the Nvidia V100 based Summit system with its CUDA stack and an AMD MI100 based testbed system with its ROCm stack. We take a layered perspective on DL benchmarking and point to opportunities for future optimizations in the technologies that we consider.

Yin, Junqi↗

DOE OSTI2021

Observation and Control of Unidirectional Ballistic Dynamics of Nanoparticles at a Liquid–Gas Interface by 4D Electron Microscopy

Understanding and controlling the dynamics of active Brownian objects far from equilibrium are fundamentally important for emerging technologies such as artificial micro/nanomotors for drug deliveries and noninvasive microsurgery. However, direct observation and control of unidirectional propulsion of individual nanoscale objects are technically challenging due to the required spatiotemporal resolution. Here, we report in situ visualization and manipulation of unidirectional superfast ballistic dynamics of a single-photon-activated gold nanoparticle (NP) along the liquid–gas interface by four-dimensional electron microscopy (4D EM) at nanometer and nanosecond scales. We observed that, upon repetitive femtosecond laser excitation, the NP at the liquid–gas interface exhibits a continuously superfast unidirectional translation with a linear dependence of its root mean squared velocity (νrms) on either the laser fluence or repetition rate. Under a single femtosecond pulse excitation, the NP exhibits a superfast ballistic translation at the nanosecond time scale. Combined experiment and physical modeling reveals that the superfast unidirectional, ballistic translation is driven by unidirectional random impulsive forces arising from the nanobubbles (NBs) induced by enhanced laser heating as a result of plasmonic excitation, which is controllable by tuning the laser characteristics. Furthermore, this directional plasmonic NB-propulsion mechanism sheds light on the design of light-controllable artificially intelligent micro/nanomotor systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

SST-GPU: A Scalable SST GPU Component for Performance Modeling and Profiling

Programmable accelerators have become commonplace in modern computing systems. Advances in programming models and the availability of unprecedented amounts of data have created a space for massively parallel accelerators capable of maintaining context for thousands of concurrent threads resident on-chip. These threads are grouped and interleaved on a cycle-by-cycle basis among several massively parallel computing cores. One path for the design of future supercomputers relies on an ability to model the performance of these massively parallel cores at scale. The SST framework has been proven to scale up to run simulations containing tens of thousands of nodes. A previous report described the initial integration of the open-source, execution-driven GPU simulator, GPGPU-Sim, into the SST framework. This report discusses the results of the integration and how to use the new GPU component in SST. It also provides examples of what it can be used to analyze and a correlation study showing how closely the execution matches that of a Nvidia V100 GPU when running kernels and mini-apps.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

Results of the second Ice Shelf–Ocean Model Intercomparison Project (ISOMIP+)

Ocean-driven basal melting of Antarctic ice shelves plays an important role in the mass loss of the Antarctic Ice Sheet. Ice shelf cavity-resolving ocean models are a valuable tool for understanding ice shelf-ocean interactions and for simulating projections of ice shelf and ocean states under future climate. Designed to assess the current state of ice shelf–ocean modelling, the second Ice Shelf–Ocean Model Intercomparison Project, ISOMIP+, consists of 12 ocean model configurations submitted with a common, idealised experimental setup. Here, we focus on the experiments Ocean0–2 (Asay-Davis et al., 2016), which are ocean models with idealised, static ice shelf geometries, but where the ocean reaches a balance with prescribed far-field ocean conditions. Different thermal transfer coefficient values (ranging from 0.011 to 0.2) are used for each model in the melting parameterisation to achieve a common, tuned melt rate since the models cover a range of types of vertical coordinates, ice–ocean boundary layer treatments, and numerical schemes. These model differences lead to spread in the resultant ocean properties, circulation, boundary-layer structure and spatial distribution of melting. We also highlight similarities between models, such as a shared linear relationship across most models between melt rate and overturning and barotropic streamfunctions during the spin-up and spin-down, demonstrating a robust relationship between melt and circulation across models and forcing conditions. The ISOMIP+ results provide a systematic comparison of ice shelf cavity-capable ocean models. However, we also demonstrate the need for realistic ice shelf–ocean model intercomparison projects (some already underway) to assess model biases and inter-model variation against sparse observations. Further research is needed to understand the differences between models and further improve our modelled representations of the ice–ocean boundary layer and ice shelf cavity circulation.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1999

GCR Transport in the Brain: Assessment of Self-Shielding, Columnar Damage, and Nuclear Reactions on Cell Inactivation Rates

Radiation shield design is driven by the need to limit radiation risks while optimizing risk reduction with launch mass/expense penalties. Both limitation and optimization objectives require the development of accurate and complete means for evaluating the effectiveness of various shield materials and body-self shielding. For galactic cosmic rays (GCR), biophysical response models indicate that track structure effects lead to substantially different assessments of shielding effectiveness relative to assessments based on LET-dependent quality factors. Methods for assessing risk to the central nervous system (CNS) from heavy ions are poorly understood at this time. High-energy and charge (HZE) ion can produce tissue events resulting in damage to clusters of cells in a columnar fashion, especially for stopping heavy ions. Grahn (1973) and Todd (1986) have discussed a microlesion concept or model of stochastic tissue events in analyzing damage from HZE's. Some tissues, including the CNS, maybe sensitive to microlesion's or stochastic tissue events in a manner not illuminated by either conventional dosimetry or fluence-based risk factors. HZE ions may also produce important lateral damage to adjacent cells. Fluences of high-energy proton and alpha particles in the GCR are many times higher than HZE ions. Behind spacecraft and body self-shielding the ratio of protons, alpha particles, and neutrons to HZE ions increases several-fold from free-space values. Models of GCR damage behind shielding have placed large concern on the role of target fragments produced from tissue atoms. The self-shielding of the brain reduces the number of heavy ions reaching the interior regions by a large amount and the remaining light particle environment (protons, neutrons, deuterons. and alpha particles) may be the greatest concern. Tracks of high-energy proton produce nuclear reactions in tissue, which can deposit doses of more than 1 Gv within 5 - 10 cell layers. Information on rates of cell killing from GCR, including patterns of cell killing from single particle tracks. can provide useful information on expected differences between proton and HZE tracks and clinical experiences with photon irradiation. To model effects on cells in the brain, it is important that transport models accurately describe changes in the GCR due to interactions in the cranium and proximate tissues. We describe calculations of the attenuated GCR particle fluxes at three dose-points in the brain and associated patterns of cell killing using biophysical models. The effects of the brain self-shielding and bone-tissue interface of the skull in modulating the GCR environment are considered. For each brain dose-point, the mass distribution in the surrounding 4(pi) solid angle is characterized using the CAM model to trace 512 rays. The CAM model describes the self-shielding by converting the tissue distribution to mass-equivalent aluminum, and nominal values of spacecraft shielding is considered. Particle transport is performed with the proton, neutron, and heavy-ion transport code HZETRN with the nuclear fragmentation model QMSFRG. The distribution of cells killed along the path of individual GCR ions is modeled using in vitro cell inactivation data for cells with varying sensitivity. Monte Carlo simulations of arrays of inactivated cells are considered for protons and heavy ions and used to describe the absolute number of cell killing events of various magnitude in the brain from the GCR. Included are simulations of positions of inactivated cells from stopping heavy ions and nuclear stars produced by high-energy ions most importantly, protons and neutrons.

Shavers, M. R.↗

NASA NTRSDate not supplied

Adaptive Control and Scaling Approach for the Emulation of Dynamic Sub-scale Torque Loads

Previous research by the authors proposed a control and scaling approach for emulating dynamic sub-scale torque loads. This approach produced an emulation controller that successfully regulated the dynamic behavior of a sub-scale electro-mechanical system intended to be a dynamical representation of the sub-scale turboelectric powertrain of a single-aisle commercial aircraft. The sub-scale system provides an environment without turbomachinery or rotors for the initial testing of electrified aircraft propulsion (EAP) control algorithms as they would be applied to a full-scale EAP system. The sub-scale turbomachinery/rotor torque loads were produced by electric machines (EMs) driven by the control and scaling approach, a full-scale turboelectric powertrain model, and an advanced EAP control algorithm. Although successfully tested, this approach produces an emulation controller that does not guarantee asymptotic stability. Modifying the original control law and integrating adaptive control techniques into the emulation controller allows the designer to guarantee asymptotic stability. This paper introduces the idea behind the emulation controller modifications, derives the controller, proves asymptotic stability, describes the implementation of the controller on a sub-scale electro-mechanical system intended to represent a parallel hybrid-electric turbofan engine, and describes the testing of a full-scale advanced EAP control algorithm. The turbofan engine and emulation controller performance are compared to results obtained using the previous, non-adaptive control and scaling approach.

adaptive↗

NASA NTRSDate not supplied

Adaptive Control and Scaling Approach for the Emulation of Dynamic Subscale Torque Loads

Previous research by the authors proposed a control and scaling approach for emulating dynamic sub-scale torque loads. This approach produced an emulation controller that successfully regulated the dynamic behavior of a sub-scale electro-mechanical system intended to be a dynamical representation of the sub-scale turboelectric powertrain of a single-aisle commercial aircraft. The sub-scale system provides an environment without turbomachinery or rotors for the initial testing of electrified aircraft propulsion (EAP) control algorithms as they would be applied to a full-scale EAP system. The sub-scale turbomachinery/rotor torque loads were produced by electric machines (EMs) driven by the control and scaling approach, a full-scale turboelectric powertrain model, and an advanced EAP control algorithm. Although successfully tested, this approach produces an emulation controller that does not guarantee asymptotic stability. Modifying the original control law and integrating adaptive control techniques into the emulation controller allows the designer to guarantee asymptotic stability. This paper introduces the idea behind the emulation controller modifications, derives the controller, proves asymptotic stability, describes the implementation of the controller on a sub-scale electro-mechanical system intended to represent a parallel hybrid-electric turbofan engine, and describes the testing of a full-scale advanced EAP control algorithm. The turbofan engine and emulation controller performance are compared to results obtained using the previous, non-adaptive control and scaling approach.

adaptive↗

DOE OSTI2022

Constructing A New CHF Look-Up Table Based on the Domain Knowledge Informed Machine Learning Methodology

Accurate prediction of CHF under various fluid flow conditions continues to be required for design, operation and safety analysis of light water reactor rod bundles. Due to the lack of in-depth physical understanding as well as limited high-resolution data in the micro-scale flow and heat transfer, the existing models feature a sub-optimal uncertainty band. In this study, driven by the prior domain knowledge information obtained, an improved CHF look-up table is developed through unified machine learning algorithms for the vertical flow conditions within tube and annulus geometry. The Groeneveld 2006 look-up table is used as the domain knowledge to train machine learning process against tube and annulus CHF data for both DNB and DO type. The new look-up table shows improved accuracy for conditions relevant to PWRs and BWRs. In addition, its domain knowledge informed nature ensures that a rationale prediction can be made, thus accounting for previous valuable information in the machine learning model training process.

Jin, Yue↗

DOE OSTI2023

Biological particles and aerosol-cloud interactions in the Southern Great Plains (Final Report)

The United States Southern Great Plains (SGP) is the genesis for much of the warm season precipitation in the central and eastern United States. While atmospheric thermodynamics and large-scale dynamics play an important role in formation of precipitation, precipitation mechanisms are also sensitive to aerosols. Aerosols can suppress precipitation as cloud condensation nuclei (CCN) or act as ice nucleating particles (INP) in deep convective clouds. This project focused on understanding the role of primary biological aerosol particles (PBAP) in the region and its influence on cloud formation. Specifically, we focused on biological aerosol in the form of pollen, one type of PBAP that is emitted in large yet variable quantities from vegetation in the mid latitudes. Field observations provide evidence of pollen in the planetary boundary layer and pollen components in cloud droplets and fine particulate matter. Further, pollen grains can easily rupture when wet, forming smaller, sub pollen particles with sizes less than one micron. We evaluated the potential for PBAP events at the Department of Energy (DoE) SGP Atmospheric Radiation Measurement (ARM) research facility due to the rich dataset available. We also developed model simulations that accounted for pollen emission and the generation of sub pollen particles, which have been shown to be both cloud condensation nuclei and ice nucleating particles. The proposed work was designed to address the following questions: 1. What are the physical and chemical signatures of biological aerosol such as pollen in SGP ARM measurements? 2. What is the role of pollen-derived particles on deep convection and precipitation in the Central US? Using measurements from the DoE SGP ARM site and recent airborne campaigns, we evaluated the signatures of pollen and pollen-derived aerosols on optical properties, cloud properties and precipitation (Subba et al., 2021). We identified pollen-driven events over the data record and used the Weather Research and Forecasting Model with fully coupled chemistry (WRF-Chem) to conduct chemically realistic simulations of aerosols during and summer mesoscale convective events in the Southern Great Plains (Subba et al., in review). This work improved our understanding of the role of biological aerosol on clouds and precipitation in the Central United States and placed these results in context with anthropogenically-driven processes.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Biological particles and aerosol-cloud interactions in the Southern Great Plains

The United States Southern Great Plains (SGP) is the genesis for much of the warm season precipitation in the central and eastern United States. While atmospheric thermodynamics and large-scale dynamics play an important role in formation of precipitation, precipitation mechanisms are also sensitive to aerosols. Aerosols can suppress precipitation as cloud condensation nuclei (CCN) or act as ice nucleating particles (INP) in deep convective clouds. This project focused on understanding the role of primary biological aerosol particles (PBAP) in the region and its influence on cloud formation. Specifically, we focused on biological aerosol in the form of pollen, one type of PBAP that is emitted in large yet variable quantities from vegetation in the mid latitudes. Field observations provide evidence of pollen in the planetary boundary layer and pollen components in cloud droplets and fine particulate matter. Further, pollen grains can easily rupture when wet, forming smaller, sub pollen particles with sizes less than one micron. We evaluated the potential for PBAP events at the Department of Energy (DoE) SGP Atmospheric Radiation Measurement (ARM) research facility due to the rich dataset available. We also developed model simulations that accounted for pollen emission and the generation of sub pollen particles, which have been shown to be both cloud condensation nuclei and ice nucleating particles. The proposed work was designed to address the following questions: 1. What are the physical and chemical signatures of biological aerosol such as pollen in SGP ARM measurements? 2. What is the role of pollen-derived particles on deep convection and precipitation in the Central US? Using measurements from the DoE SGP ARM site and recent airborne campaigns, we evaluated the signatures of pollen and pollen-derived aerosols on optical properties, cloud properties and precipitation (Subba et al., 2021). We identified pollen-driven events over the data record and used the Weather Research and Forecasting Model with fully coupled chemistry (WRF-Chem) to conduct chemically realistic simulations of aerosols during and summer mesoscale convective events in the Southern Great Plains (Subba et al., in review). This work improved our understanding of the role of biological aerosol on clouds and precipitation in the Central United States and placed these results in context with anthropogenically-driven processes.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Advanced data analysis in inertial confinement fusion and high energy density physics

Bayesian analysis enables flexible and rigorous definition of statistical model assumptions with well-characterized propagation of uncertainties and resulting inferences for single-shot, repeated, or even cross-platform data. This approach has a strong history of application to a variety of problems in physical sciences ranging from inference of particle mass from multi-source high-energy particle data to analysis of black-hole characteristics from gravitational wave observations. The recent adoption of Bayesian statistics for analysis and design of high-energy density physics (HEDP) and inertial confinement fusion (ICF) experiments has provided invaluable gains in expert understanding and experiment performance. In this Review, we discuss the basic theory and practical application of the Bayesian statistics framework. We highlight a variety of studies from the HEDP and ICF literature, demonstrating the power of this technique. Due to the computational complexity of multi-physics models needed to analyze HEDP and ICF experiments, Bayesian inference is often not computationally tractable. Two sections are devoted to a review of statistical approximations, efficient inference algorithms, and data-driven methods, such as deep-learning and dimensionality reduction, which play a significant role in enabling use of the Bayesian framework. We provide additional discussion of various applications of Bayesian and machine learning methods that appear to be sparse in the HEDP and ICF literature constituting possible next steps for the community. We conclude by highlighting community needs, the resolution of which will improve trust in data-driven methods that have proven critical for accelerating the design and discovery cycle in many application areas.

47 OTHER INSTRUMENTATION↗

DOE OSTI2023

Experimental investigation of a reverse osmosis desalination system directly powered by wave energy

Powering desalination processes with renewable energy is a promising solution to address the global issue of water shortage with minimum carbon footprint and environmental impact. Here, we experimentally investigate a sustainable reverse osmosis (RO) desalination system directly powered by wave energy. In this system, seawater is pressurized and pumped to a RO desalination module via a piston pump directly driven by an oscillating surge wave energy converter (OSWEC). An accumulator is adopted on the feed inlet to mitigate the pressure fluctuations under time-varying ocean conditions. Meanwhile, a needle valve on the brine outlet is used to adjust the system pressure and water recovery. A 1:10 scaled model was designed, fabricated, and tested in a wave tank based on the Froude scaling law. Further, the optimal specific water productivity (SWP) obtained in the tank tests with 3.5 g/L feed salinity was 2.23m 3 /kWh, indicating a full-scale specific water productivity of 0.22m 3 /kWh for 35g/L seawater salinity. The influence of needle valve tuning on the specific water productivity was experimentally investigated and analyzed. Under a specific operational condition, tuning this valve improved specific water productivity by about 17% and reduced the system pressure by 24%, thereby avoiding extreme pressure and improving the system’s capability. This pilot study demonstrates that ocean wave energy is a promising source to sustainably power reverse osmosis desalination and provide freshwater water for coastal regions.

16 TIDAL AND WAVE POWER↗

DOE OSTI2022

ExaAM: Metal additive manufacturing simulation at the fidelity of the microstructure

Additive manufacturing (AM), or 3D printing, of metals is transforming the fabrication of components, in part by dramatically expanding the design space, allowing optimization of shape and topology. However, although the physical processes involved in AM are similar to those of welding, a field with decades of experimental, modeling, simulation, and characterization experience, qualification of AM parts remains a challenge. The availability of exascale computational systems, particularly when combined with data-driven approaches such as machine learning, enables topology and shape optimization as well as accelerated qualification by providing process-aware, locally accurate microstructure and mechanical property models. We describe the physics components comprising the Exascale Additive Manufacturing simulation environment and report progress using highly resolved melt pool simulations to inform part-scale finite element thermomechanics simulations, drive microstructure evolution, and determine constitutive mechanical property relationships based on those microstructures using polycrystal plasticity. We report on implementation of these components for exascale computing architectures, as well as the multi-stage simulation workflow that provides a unique high-fidelity model of process–structure–property relationships for AM parts. In addition, we discuss verification and validation through collaboration with efforts such as AM-Bench, a set of benchmark test problems under development by a team led by the National Institute of Standards and Technology.

3D printing↗

DOE OSTI2025

The Artificial Intelligence Ontology: LLM-Assisted Construction of AI Concept Hierarchies

The Artificial Intelligence Ontology (AIO) is a systematization of artificial intelligence (AI) concepts, methodologies, and their interrelations. Developed via manual curation, with the additional assistance of large language models (LLMs), AIO aims to address the rapidly evolving landscape of AI by providing a comprehensive framework that encompasses both technical and ethical aspects of AI technologies. The primary audience for AIO includes AI researchers, developers, and educators seeking standardized terminology and concepts within the AI domain. We use the term “branches” for classes, and their subclasses, in our ontology that are subclasses of owl:Thing. AIO contains eight branches: Bias, Layer, Machine Learning Task, Mathematical Function, Model, Network, Preprocessing, and Training Strategy, each designed to support the modular composition of AI methods and facilitate a deeper understanding of deep learning architectures and ethical considerations in AI. AIO uses the Ontology Development Kit (ODK) for its creation and maintenance, with its content being more easily updated through AI-driven curation support. This approach not only ensures the ontology's relevance amidst the fast-paced advancements in AI but also significantly enhances its utility for researchers, developers, and educators by simplifying the integration of new AI concepts and methodologies. The ontology's utility is demonstrated through the annotation of AI methods data in a catalog of AI research publications and the integration into the BioPortal ontology resource, highlighting its potential for cross-disciplinary research. The AIO ontology is open source and is available on GitHub ( https://w3id.org/aio/ ) and BioPortal ( https://bioportal.bioontology.org/ontologies/AIO ).

Joachimiak, Marcin P. [Biosystems Data Science Dep↗

DOE OSTI2019

Model-driven Deception for Control System Environments

Deception techniques are a useful defensive mechanism that could be very valuable in control systems where updates and patches can be difficult. However, to deceive a motivated and targeted attacker it is necessary to enhance deception platforms with capabilities to model and simulate physical processes to achieve necessary fidelity. In this paper, attributes of cyberphysical decoys are discussed and design of a system with these attributes is presented. A boiler model use case is provided to demonstrate how this novel deception capability can be integrated into and used to defend a system.

Hofer, William J.↗

NASA NTRS1985

Passive motion control of pneumatically driven displacers in cryogenic coolers

The split cryogenic cooler with a remote cold finger offers many advantages for use in cooling of infrared systems. A pneumatic drive for the displacer in such coolers was adopted in many cryocooler designs. This concept can be significantly improved by causing the displacer to move sinusoidally rather than in an essentially square wave, as in most of the present models. The way this motion was achieved passively is described and its advantages outlined. Data of minicoolers using this concept are presented.

Pundak, N.↗

DOE OSTI2023

Searching for eco-friendly working fluids for an ejector-driven heat pump for domestic water heating

This study searches for refrigerants with low global warming potential (GWP) and zero ozone depletion potential (ODP) for an ejector heat pump water heater (EHPWH). Several criteria are set, and R1336mzz(Z), R601a, R1233zd(E), R1224yd(Z), R1234ze(Z), and R600a are shortlisted. A theoretical model is built to study the performance of EHPWH and the corresponding ejector design at different operating conditions. For the same ejector design, a refrigerant with a high specific heat ratio produces a high entrainment ratio and heating COP. This is because the expansion wave angle in the ejector is small for refrigerants with a high specific heat ratio, allowing more mass flow rate to be entrained. A higher entrainment ratio does not necessarily correlate to a high COP because the saturation curve of the tested refrigerants is not the same. Results show that the heating COP of R601a is the highest, but it is extremely flammable. R1224yd(Z) and R1234ze(Z) are the most candidates for EHPWH when the trade-off between the COP and safety criteria is considered. The results presented in this work could help building an EHPWH using eco-friendly refrigerants.

Mohammed, Ramy H.↗

DOE OSTI2023

Data-driven analysis and prediction of stable phases for high-entropy alloy design

High-entropy alloys (HEAs) represent a promising class of materials with exceptional structural and functional properties. However, their design and optimization pose challenges due to the large composition-phase space coupled with the complex and diverse nature of the phase formation dynamics. In this study, a data-driven approach that utilizes machine learning (ML) techniques to predict HEA phases and their composition-dependent phases is proposed. By employing a comprehensive dataset comprising 5692 experimental records encompassing 50 elements and 11 phase categories, we compare the performance of various ML models. Our analysis identifies the most influential features for accurate phase prediction. Furthermore, the class imbalance is addressed by employing data augmentation methods, raising the number of records to 1500 in each category, and ensuring a balanced representation of phase categories. The results show that XGBoost and Random Forest consistently outperform the other models, achieving 86% accuracy in predicting all phases. Additionally, this work provides an extensive analysis of HEA phase formers, showing the contributions of elements and features to the presence of specific phases. We also examine the impact of including different phases on ML model accuracy and feature significance. Notably, the findings underscore the need for ML model selection based on specific applications and desired predictions, as feature importance varies across models and phases. This study significantly advances the understanding of HEA phase formation, enabling targeted alloy design and fostering progress in the field of materials science.

36 MATERIALS SCIENCE↗