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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 415 records · Page 23

Evaluation of pre-training large language models on leadership-class supercomputers

Large language models (LLMs) have arisen rapidly to the center stage of artificial intelligence as the foundation models applicable to many downstream learning tasks. However, how to effectively build, train, and serve such models for many high-stake and first-principle-based scientific use cases are both of great interests and of great challenges. Moreover, pre-training LLMs with billions or even trillions of parameters can be prohibitively expensive not just for academic institutions, but also for well-funded industrial and government labs. Furthermore, the energy cost and the environmental impact of developing LLMs must be kept in mind. Here, in this work, we conduct a first-of-its-kind performance analysis to understand the time and energy cost of pre-training LLMs on the Department of Energy (DOE)’s leadership-class supercomputers. Employing state-of-the-art distributed training techniques, we evaluate the computational performance of various parallelization approaches at scale for a range of model sizes, and establish a projection model for the cost of full training. Our findings provide baseline results, best practices, and heuristics for pre-training such large models that should be valuable to HPC community at large. We also offer insights and optimization strategies for using the first exascale computing system, Frontier, to train models of the size of GPT-3 and beyond.

97 MATHEMATICS AND COMPUTING↗

Performance and cost analysis of liquid fuel production from H 2 and CO 2 based on the Fischer-Tropsch process

Electro-fuels can be produced from concentrated sources of carbon dioxide and hydrogen using electricity generated from renewable sources; this process enables energy storage at high volumetric energy density. Among the electro-fuels options, FT (Fischer-Tropsch) fuel is attractive for heavy-duty trucks and non-road transportation applications. This study conducts a techno-economic analysis of FT liquid fuel production from H 2 and CO 2 using a detailed performance analysis. Minimum fuel selling price is estimated for a broad range of H 2 and CO 2 prices and for a range of potential CO 2 credits. The analysis indicates that H 2 price has the largest impact on the minimum selling price of FT fuel. FT fuel production with a CO 2 price of $17.3/metric ton requires an H 2 price of $0.8/kg to be cost-competitive with the pre-tax petroleum diesel price of $3.1/gal in 2050 (before the application of any CO 2 credits). When the H 2 price is $2.0/kg from central water electrolysis (2020 target), the minimum selling price of the FT fuel is $5.4–5.9/gal. A sensitivity analysis shows that future system optimization of FT fuel production could focus on improving the H 2 and CO 2 recycle contributions and FT fuel conversion ratio. The analysis results can be combined with various upstream systems for H 2 and CO 2 production.

08 HYDROGEN↗

Standalone BISON Fuel Performance Results for Watts Bar Unit 1, Cycles 1-3

The Consortium for Advanced Simulation of Light Water Reactors (CASL) is moving forward with more complex multiphysics simulations and increased focus on incorporating fuel performance analysis methods. The coupled neutronics/thermal-hydraulics capabilities within the Virtual Environment for Reactor Applications Core Simulator (VERA-CS) have become relatively stable, and major advances have been made in analysis efforts, including the simulation of twelve cycles of Watts Bar Nuclear Unit 1 (WBN1) operation. While this is a major achievement, the VERA-CS approaches for treating fuel pin heat transfer have well-known limitations that could be eliminated through better integration with the BISON fuel performance code. Several approaches are being implemented to consider fuel performance, including a more direct multiway coupling with Tiamat, as well as a more loosely coupled one-way approach with standalone BISON cases. Fuel performance typically undergoes an independent analysis using a standalone fuel performance code with manually specified input defined from an independent core simulator solution or set of assumptions. This report summarizes the improvements made since the initial milestone to execute BISON from VERA-CS output. Many of these improvements were prompted through tighter collaboration with the BISON development team at Idaho National Laboratory (INL). A brief description of WBN1 and some of the VERA-CS data used to simulate it are presented. Data from a small mesh sensitivity study are shown, which helps justify the mesh parameters used in this work. The multi-cycle results are presented, followed by the results for the first three cycles of WBN1 operation, particularly the parameters of interest to pellet-clad interaction (PCI) screening (fuel-clad gap closure, maximum centerline fuel temperature, maximum/minimum clad hoop stress, and cumulative damage index). Once the mechanics of this capability are functioning, future work will target cycles with known or suspected PCI failures to determine how well they can be estimated.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

ROSE

Developed at Lawrence Livermore National Laboratory (LLNL), ROSE is an open source compiler infrastructure to build source-to-source program transformation and analysis tools for large-scale C (C89 to C23), C++ (C++98 to C++23), UPC, Fortran (Fortran4, 66, 77, 95, 2003), OpenMP, Java, Python, and Binary applications. ROSE users range from experienced compiler researchers to library and tool developers who may have minimal compiler experience. ROSE is particularly well suited for building custom tools for static analysis, program optimization, arbitrary program transformation, domain-specific optimizations, complex loop optimizations, performance analysis, and cyber-security. ROSE is: A library (and set of associated tools) to quickly and easily apply compiler techniques to one's code in order to improve application performance and developer productivity. A research and development compiler infrastructure for for writing custom source-to-source translators to perform source code transformations, analysis, and optimizations. Is

Pinnow, NathanT [Lawrence Livermore National Labor↗

Python codes for the paper - "Trade-offs in the latent representation of microstructure evolution"

SAND2024-00946O Python codes used in "Trade-offs in the latent representation of microstructure evolution," a manuscript accepted for publication in Acta Materialia, are part of a repository. The code was developed to perform analysis of microstructure evolution. The repository consists of two main directories: models, which train and test models such as autoencoders and diffusion maps, and analysis, which analyzes microstructures. Source code is used to perform dimensionality reduction of microstructure data for analysis of its evolution in time. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Dingreville, Remi↗

Comparative analysis for various redox flow batteries chemistries using a cost performance model

A robust performance-based cost model is developed for all-vanadium, iron-vanadium and iron chromium redox flow batteries. Systems aspects such as shunt current losses, pumping losses and thermal management are accounted for. The objective function, set to minimize system cost, allows determination of stack design and operating parameters such as current density, flow rate and depth of discharge (DOD). Component costs obtained from vendors are used to calculate system costs for various time frames. A 2 kW stack data was used to estimate unit energy costs and compared with model estimates for the same size electrodes. The tool has been shared with the redox flow battery community to both validate their stack data and guide future direction.

electrolyte↗

Analysis of a Loop for Fission Gas Release and Monitoring at the PULSTAR Reactor

Modern nuclear fuel performance analysis tools aim at establishing a predictive approach for examining macroscopic fuel behavior due to fuel gaseous swelling and the associated pellet cladding mechanical interaction (PCMI). In general, the macroscopic behavior is highly sensitive to understanding microscopically driven phenomena, which in this case is the release of fission gas (i.e., Kr and Xe) from the fuel. Previous studies identified the uncertainties associated with the intra-granular fission gas diffusion coefficient as most limiting for the accuracy of fission gas release calculations. In particular, it was concluded that, in order to improve fission gas release as well as gaseous swelling predictions using fuel performance codes, a better characterization of the diffusion coefficient is needed. This work explores the implementation of an on-line fission gas release and measurement loop at the North Carolina State University (NCSU) PULSTAR reactor. A unique characteristic of this loop is the ability to control the temperature of the fuel samples during irradiation to establish a more accurate correlation between the irradiation conditions and an observable such as the intragranular gas diffusion coefficient. Analysis was performed of an 'in-pile' fission gas release experiment that is currently under implementation at the NCSU PULSTAR reactor. Using MCNP6 calculations and COMSOL simulations the fission rate density and temperature distributions in UO{sub 2} microspheres were estimated. To explore the feasibility of detecting fission gas isotopes, estimates of R/B for {sup 138}Xe were obtained using the equivalent sphere model and combined with MCNP6 predicted B estimates to obtain R. Assuming detection in a typical gamma-ray spectrometry HPGe system, it was conclude that reasonable count rates will be achieved to allow extraction of release information. At this stage, accurate assessment is underway of the performance of various loop components to set the final design criteria in support of loop fabrication. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

A performance comparison of current HPC systems: Blue Gene/Q, Cray XE6 and InfiniBand systems

We present here a performance analysis of three of current architectures that have become commonplace in the High Performance Computing world. Blue Gene/Q is the third generation of systems from IBM that use modestly performing cores but at large-scale in order to achieve high performance. The XE6 is the latest in a long line of Cray systems that use a 3-D topology but the first to use its Gemini interconnection network. InfiniBand provides the flexibility of using compute nodes from many vendors that can be connected in many possible topologies. The performance characteristics of each vary vastly, and the way in which nodes are allocated in each type of system can significantly impact on achieved performance. In this work we compare these three systems using a combination of micro-benchmarks and a set of production applications. In addition we also examine the differences in performance variability observed on each system and quantify the lost performance using a combination of both empirical measurements and performance models. Our results show that significant performance can be lost in normal production operation of the Cray XE6 and InfiniBand Clusters in comparison to Blue Gene/Q.

Application analysis↗

NREL's OpenStudio Helps Design More Efficient Buildings (Fact Sheet)

The National Renewable Energy Laboratory (NREL) has created the OpenStudio software platform that makes it easier for architects and engineers to evaluate building energy efficiency measures throughout the design process. OpenStudio makes energy modeling more accessible and affordable, helping professionals to design structures with lower utility bills and less carbon emissions, resulting in a healthier environment. OpenStudio includes a user-friendly application suite that makes the U.S. Department of Energy's EnergyPlus and Radiance simulation engines easier to use for whole building energy and daylighting performance analysis. OpenStudio is freely available and runs on Windows, Mac, and Linux operating systems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Cosmological parameter estimation with large scale structure observations

We estimate the sensitivity of future galaxy surveys to cosmological parameters, using the redshift dependent angular power spectra of galaxy number counts, C{sub ℓ}(z{sub 1},z{sub 2}), calculated with all relativistic corrections at first order in perturbation theory. We pay special attention to the redshift dependence of the non-linearity scale and present Fisher matrix forecasts for Euclid-like and DES-like galaxy surveys. We compare the standard P(k) analysis with the new C{sub ℓ}(z{sub 1},z{sub 2}) method. We show that for surveys with photometric redshifts the new analysis performs significantly better than the P(k) analysis. For spectroscopic redshifts, however, the large number of redshift bins which would be needed to fully profit from the redshift information, is severely limited by shot noise. We also identify surveys which can measure the lensing contribution and we study the monopole, C{sub 0}(z{sub 1},z{sub 2})

79 ASTRONOMY AND ASTROPHYSICS↗

Probabilistic Resilience of DER Systems - A Simulation Assisted Optimization Approach

Energy systems resilience is becoming increasingly important as the frequency of major grid outages increases. In this work, we present a methodology to optimize a behind-tlie-meter distributed energy resource system to sustain a site's critical loads during a pre-defined outage period. With the fixed system design, we then propose an outage simulation approach to estimate the resilience potential of the DER system to sustain loads beyond the fixed outage period - a yearlong resilience performance analysis. We apply statistical analysis to assess the system's resilience performance over a broader parametric problem space on an hourly, monthly, and yearly basis. We demonstrate the impact of the pre-defined outage period on the resilience performance through a case study. Results show that the probability of surviving a random outage of a given duration changes from 20% to 95% when the outage is modeled for a weekday instead of a weekend for the given load-profile.

28 EE - Advanced Manufacturing Office (EE-5A)↗

Deeplynx Dag Repository

The DeepLynx DAG repository will contain several Airflow DAGs (Directed Acyclic Graphs) which will be used in the context of DeepLynx's deployed Apache Airflow instance. These DAGs will be used for multiple data management tasks for DeepLynx data, including but not limited to: - bringing data from various sources and tools into DeepLynx - managing sequential data workflows, such as running Python scripts on data to perform analysis and returning the results to DeepLynx - performing any necessary transformation or pre-processing on data coming into DeepLynx from external sources or out of DeepLynx to go to external applications

Brownlee, JarenM.↗

Search For Low-Mass Quark-Antiquark Resonances Produced With an Initial State Photon at 13 TeV Using the CMS Detector

We present a search for low-mass narrow qq̅ resonances. This search uses data from LHC pp collisions at a center of mass of 13 TeV in Run 2, and corresponds to an integrated luminosity of 137 fb^{-1}, currently using 10\% of data. Utilizing full Run 2 data allows the use of a lower photon pT threshold trigger than a previous analysis performed with only 2016 data, allowing this analysis to be more sensitive to resonances in the low mass region. We require an initial state photon recoiling against the narrow resonance, leading to the resonance having a high transverse momentum. The high pT decay products of the resonance collimate and are reconstructed as a single large jet with an internal two-pronged substructure. A two-pronged dijet score based on the ParticleNet tagger is used to select jets with two-pronged substructure. The background is estimated via a data-driven method using a transfer factor between the distributions which fail and pass the two-pronged substructure requirement. The new physics signal is searched for as a narrow peak excess above the Standard Model backgrounds in the jet mass spectrum.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Comment on "An implementation of neural simulation-based inference for parameter estimation in ATLAS''

The paper titled "An implementation of neural simulation-based inference for parameter estimation in ATLAS" by the ATLAS collaboration (arXiv:2412.01600v1 [hep-ex]) describes the implementation of neural simulation-based inference for a measurement analysis performed by ATLAS. The uncertainties in the analysis arising from the finiteness of the simulated datasets are estimated using a novel double-bootstrapping technique described in that work. In the present comment, it is claimed and demonstrated, using a toy example, that the double-bootstrapping technique does not actually capture the aforementioned uncertainties.

43 PARTICLE ACCELERATORS↗

Performance Characterization of a Natural Gas-Air Rotating Detonation Engine at Elevated Pressure

Performance of a rotating detonation engine was studied to understand the challenges of achieving and quantifying a net pressure gain at engine-relevant conditions. The combustor under study was designed for operation with natural gas and air at elevated chamber pressures and air preheat temperatures representative of land based power generation gas turbine engines. The thrust produced by the combustor was measured to characterize its performance while high-frequency pressure transducers and high speed imaging of broadband combustion chemiluminescence provided information about the wave structure and dynamics. The rotating detonation engine was tested with two injector configurations to explore the effect of injector design and combustor operating mode on device performance. Analysis using multiple metrics showed nearly identical performance between similar operating conditions that alternately produced a single detonation wave or two counter-propagating waves in the combustion chamber. Across the range of tested conditions, a maximum pressure gain of -42% was measured. Several tests were observed to produce up to 10% more thrust than an ideal, constant pressure combustor, though this comparison ignores injection losses. Comparison of measured pressure gain with idealized simulations showed that the net pressure gain of a rotating detonation engine is closely tied to the area ratio between the inlet and outlet of the combustor.

20 FOSSIL-FUELED POWER PLANTS↗

Considerations for Medium-Term Load Forecasting in Morocco

There are many factors that determine how demand for electricity may change over time. Medium-term load forecasting is a subset of load forecasting that focuses on the next year. This presentation summarizes analysis performed by NREL on medium-term load forecasting performed for the Moroccan energy system. This analysis includes hourly regressions and load clustering. This work also describes potential next steps that can be implemented by ONEE to improve this medium-term load forecasting.

54 ENVIRONMENTAL SCIENCES↗

Probabilistic Resilience of DER Systems - A Simulation Assisted Optimization Approach

Energy systems resilience is becoming increasingly important as the frequency of major grid outages increases. In this work, we present a methodology to optimize a behind-the-meter distributed energy resource system to sustain a site's critical loads during a pre-defined outage period. With the fixed system design, we then propose an outage simulation approach to estimate the resilience potential of the DER system to sustain loads beyond the fixed outage period - a yearlong resilience performance analysis. We apply statistical analysis to assess the system's resilience performance over a broader parametric problem space on an hourly, monthly, and yearly basis. We demonstrate the impact of the pre-defined outage period on the resilience performance through a case study. Results show that the probability of surviving a random outage of a given duration changes from 20% to 95% when the outage is modeled for a weekday instead of a weekend for the given load-profile.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Search For Low-Mass Quark-Antiquark Resonances Produced With an Initial State Photon at 13 TeV Using the CMS Detector

We present a search for low-mass narrow qq̅ resonances. This search uses data from LHC pp collisions at a center of mass of 13 TeV in Run 2, and corresponds to an integrated luminosity of 137 fb^{-1}, currently using 10\% of data. Utilizing full Run 2 data allows the use of a lower photon pT threshold trigger than a previous analysis performed with only 2016 data, allowing this analysis to be more sensitive to resonances in the low mass region. We require an initial state photon recoiling against the narrow resonance, leading to the resonance having a high transverse momentum. The high pT decay products of the resonance collimate and are reconstructed as a single large jet with an internal two-pronged substructure. A two-pronged dijet score based on the ParticleNet tagger is used to select jets with two-pronged substructure. The background is estimated via a data-driven method using a transfer factor between the distributions which fail and pass the two-pronged substructure requirement. The new physics signal is searched for as a narrow peak excess above the Standard Model backgrounds in the jet mass spectrum.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗