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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 397 records · Page 22

Enhanced climate reproducibility testing with false discovery rate correction

Simulating the Earth's climate is an important and complex problem, thus climate models are similarly complex, comprised of millions of lines of code. In order to appropriately utilize the latest computational and software infrastructure advancements in Earth system models running on modern hybrid computing architectures to improve their performance, precision, accuracy, or all three; it is important to ensure that model simulations are repeatable and robust. This introduces the need for establishing statistical or non-bit-for-bit reproducibility, since bit-for-bit reproducibility may not always be achievable. Here, we propose a short-simulation ensemble-based test for an atmosphere model to evaluate the null hypothesis that modified model results are statistically equivalent to that of the original model. We implement this test in version 2 of the US Department of Energy's Energy Exascale Earth System Model (E3SM). The test evaluates a standard set of output variables across the two simulation ensembles and uses a false discovery rate correction to account for multiple testing. The false positive rates of the test are examined using re-sampling techniques on large simulation ensembles and are found to be lower than the currently implemented bootstrapping-based testing approach in E3SM. We also evaluate the statistical power of the test using perturbed simulation ensemble suites, each with a progressively larger magnitude of change to a tuning parameter. The new test is generally found to exhibit more statistical power than the current approach, being able to detect smaller changes in parameter values with higher confidence.

Kelleher, Michael E. [Oak Ridge National Laborator↗

Assessment of the Material Performance for TCR Applications (Progress Report)

The objective of Argonne’s materials research activities for the Transformational Challenge Reactor (TCR) program is to improve the understanding of material properties from additive manufacturing with the focus on understanding the creep and fatigue properties of additively manufactured materials. The material work conducted by Argonne provides support in developing and qualifying advanced materials and manufacturing processes to allow for innovative reactor design and licensing for the TCR. In FY 2020, Oak Ridge National Laboratory (ORNL) provided six ASTM standard sized creep specimens of additively-manufactured 316L stainless steel (AM 316L SS) for evaluation of the effect of post-build heat treatment on the creep property. Two different teat treatments were conducted on the as-built specimens, namely 1050°C/1h and 650°C/1h before creep testing. All specimens were creep tested at 550°C and 275 MPa to understand the effect of heat treatments. We have also received AM 316L SS printed in various forms including rods and sheets, wrought 316 L SS (as a reference material), and AM IN718 for tensile, creep and fatigue testing. Both ASTM standard sized specimens and subsized specimens are being fabricated or tested to contribute to a comprehensive mechanical property database of AM materials and to provide location-specific property data to the TCR digital platform. Mechanical testing at Argonne is conducted to ASME NQA-1 or its lab equivalent for quality assurance. This report presents the results of the creep tests at 550°C and microstructural characterization for the assessment of the effect of the post-build heat treatment on the creep behavior of AM 316L SS. It also discusses ongoing efforts on obtaining location-dependent properties of AM 316L SS.

36 MATERIALS SCIENCE↗

Retargetable Optimizing Compilers for Quantum Accelerators via a Multi-Level Intermediate Representation

In this work, we present a multi-level quantum-classical intermediate representation (IR) that enables an optimizing, retargetable compiler for available quantum languages. Our work builds upon the Multi-level Intermediate Representation (MLIR) framework and leverages its unique progressive lowering capabilities to map quantum languages to the LLVM machine-level IR. We provide both quantum and classical optimizations via the MLIR pattern rewriting sub-system and standard LLVM optimization passes, and demonstrate the programmability, compilation, and execution of our approach via standard benchmarks and test cases. In comparison to other standalone language and compiler efforts available today, our work results in compile times that are 1000x faster than standard Pythonic approaches, and 5-10x faster than comparative standalone quantum language compilers. Our compiler provides quantum resource optimizations via standard programming patterns that result in a 10x reduction in entangling operations, a common source of program noise. We see this work as a vehicle for rapid quantum compiler prototyping.

43 PARTICLE ACCELERATORS↗

Rapid, Approximate Multi-Axis Vibration Testing [Slides]

Sequential single-axis testing provides a poor approximation of service environments. Multi-axis vibration tests are not yet standard practice. How good do multi-axis tests need to be to replace single-axis testing in practice? Is the simplest possible multi-axis test close to single-axis testing in test quality? Can single-axis testing techniques provide a sufficient rapid approximation to a multi-axis test? How much can we improve multi-axis test quality by optimizing passive test fixture hardware instead of adding active excitation sources?

42 ENGINEERING↗

Software Quality Assurance Plan ANSYS LSDYNA Version 2023R1

ANSYS Inc. develops and markets engineering simulation software and services used in the aerospace, automotive, manufacturing, electronics, biomedical, energy, defense, and many other industries. ANSYS is dedicated to engineering simulation and is the world’s leading software provider. ANSYS was founded in 1970 and is headquartered in Canonsburg, Pennsylvania. ANSYS provides an engineering analysis tool combining structural, thermal, computational fluid dynamics, acoustic and electromagnetic simulation capabilities. ANSYS LS-DYNA is the most used explicit simulation program capable of simulating the response of materials to short periods of severe loading. Its many elements, contact formulations, material models, and other controls can be used to simulate complex models with control over all the details of the problem. ANSYS LS-DYNA has a vast array of capabilities to simulate extreme deformation problems using its explicit solver. Engineers can tackle simulations involving material failure and look at how the failure progresses through a part or through a system. Models with large amounts of parts or surfaces interacting with each other are also easily handled, and the interactions and load passing between complex behaviors are modeled accurately. Using computers with higher numbers of CPU cores can drastically reduce solution times. In addition, many consulting firms and hundreds of universities use ANSYS for analysis, research, and educational purposes. ANSYS is recognized worldwide as one of the most widely used and capable programs of its type. ANSYS has successfully passed over 100 customer quality system audits against American Society of Mechanical Engineers (ASME) NQA-1 and 10 CFR Part 50, Appendix B, since the company was founded, over 60 of which have been since 1997. ANSYS has successfully passed over 100 International Organization for Standardization (ISO) 9001 assessments. ANSYS design analysis software is the first created within a quality system with ISO 9001 certification, which is the internationally accepted quality standard. Product development, testing, maintenance, and support processes also meet the US Nuclear Regulatory Commission’s (NRC’s) quality requirements, as they have for nearly four decades. ANSYS staff perform more than 60,000 software verification tests before releasing each new product. ASME NQA-1-2012 (Subpart 2.7 is specific to software) is the industry- and NRC-accepted approach (consensus standard) for meeting 10 CFR Part 50, Appendix B, requirements.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

UR 2 : Ultra-rapid reactivity test for real-time, low-cost quality control of calcined clays

To reduce cement's carbon footprint, there is growing interest in commercial adoption of sustainable SCMs such as calcined clays. However, the existing ASTM standard (R 3 test, C1897) to test the reactivity of such clays takes up to 7 days and cannot be used for real-time quality control in an industrial setting. We address this issue by introducing a 5-min Ultra-Rapid Reactivity (UR 2 ) test. By dissolving 47 clay specimens in 4 M NaOH solutions at 90°C, we report that a dissolution index of 1.54Al + Si correlates strongly to the 7-day R 3 heat (R 2 = 0.92, RMSE = 94.1 J/g). This dissolution index also correlates to the 28-day compressive strength for 14 clay mixtures (R 2 = 0.94, RMSE = 1.7 MPa). This UR 2 test relies on colorimetry and can be conducted via off-the-shelf, low-cost cameras. Overall, our new UR 2 test opens a pathway for real-time, low-cost quality control of calcined clays.

36 MATERIALS SCIENCE↗

The novel Mechanical Ventilator Milano for the COVID-19 pandemic

This paper presents the Mechanical Ventilator Milano (MVM), a novel intensive therapy mechanical ventilator designed for rapid, large-scale, low-cost production for the COVID-19 pandemic. Free of moving mechanical parts and requiring only a source of compressed oxygen and medical air to operate, the MVM is designed to support the long-term invasive ventilation often required for COVID-19 patients and operates in pressure-regulated ventilation modes, which minimize the risk of furthering lung trauma. The MVM was extensively tested against ISO standards in the laboratory using a breathing simulator, with good agreement between input and measured breathing parameters and performing correctly in response to fault conditions and stability tests. The MVM has obtained Emergency Use Authorization by U.S. Food and Drug Administration (FDA) for use in healthcare settings during the COVID-19 pandemic and Health Canada Medical Device Authorization for Importation or Sale, under Interim Order for Use in Relation to COVID-19. Furthermore, following these certifications, mass production is ongoing and distribution is under way in several countries. The MVM was designed, tested, prepared for certification, and mass produced in the space of a few months by a unique collaboration of respiratory healthcare professionals and experimental physicists, working with industrial partners, and is an excellent ventilator candidate for this pandemic anywhere in the world

60 APPLIED LIFE SCIENCES↗

Improving Stability of Triple-Cation Perovskite Solar Cells under High-Temperature Operation

Metal halide perovskite photovoltaic performance required for commercial technology encompasses both efficiency and stability. Advances in both these parameters have recently been reported; however, these strategies are often difficult to directly compare due to differences in perovskite composition, device architecture, fabrication methods, and accelerated stressors applied in stability tests. In particular, it is found that there is a distinct lack of elevated temperature, operational (light and bias) stability data. Furthermore, significant testing is required to understand the interactions when combinations are used (e.g., additives used with posttreatments). Herein, individual and combined additive, posttreatment, and contact layer strategies from recent literature reports under standardized operational stability tests of p-i-n CsMAFA perovskites at 70 degrees C are evaluated. Through analysis of over 1000 devices, it is concluded that the hole-transport layer (HTL) is the most significant component impacting elevated temperature operational stability. This analysis motivates future development of high-performance HTLs.

14 SOLAR ENERGY↗

Kaon leptonic and semileptonic decays with $N_f=2+1+1$ HISQ fermions

Precision tests of the Standard Model (SM) currently show a deficit in first-row Cabibbo-Kobayashi-Maskawa (CKM) unitarity. In this talk, we discuss progress towards a correlated analysis of the lattice-QCD inputs needed to test this relation with kaon data using highly improved staggered quarks (HISQ) on the MILC $N_{f}=2+1+1$ configurations. We present the status of a new analysis of light-meson decay constant data where chiral-continuum fits are guided by staggered chiral perturbation theory (SChPT). The goal of SChPT is twofold: it allows us to use data not only at physical pion mass but also at unphysical masses. Moreover, it provides values of ChPT low energy constants (LECs) as well as their correlations. We also present a reanalysis of our previous kaon semileptonic form factor calculation, aiming to estimate correlations between the form factor and light-meson decay constants. We discuss the new methodology, new data included, and present some preliminary results.

Merino, Ramón [Granada U.] (ORCID:000900039150393X↗

Connecting ambient toxicity testing with community-level responses of benthic macroinvertebrates in an impacted stream in East Tennessee, USA

Single-species laboratory toxicity tests are a standard tool for evaluating potential impairment of freshwater systems; however, it remains uncertain how well they reflect community-level impacts in natural environments. This study presents a multi-decadal dataset (2005-2025) pairing ambient toxicity testing with macroinvertebrate surveys along Bear Creek on the Oak Ridge Reservation (Tennessee, USA) downstream of an industrial complex to assess the ability of laboratory tests using stream water to track community-level effects. Biannual three-brood Ceriodaphnia dubia tests from 2005 to 2025 often showed reduced reproduction at select sites. Integrating water quality data showed strong positive correlations between sublethal toxicity and specific conductance. Macroinvertebrate diversity metrics, family-level occurrence, and densities were also associated with conductance and contemporaneous C. dubia responses. Laboratory-measured sublethal toxicity was a stronger indicator of macroinvertebrate change than conductance alone, although responses varied among sites and seasons. At the site with the highest diversity, densities and richness of Ephemeroptera, Plecoptera, Trichoptera (EPT) and non-EPT taxa were significantly related to C. dubia reproduction, with greater toxicity corresponding to lower diversity. At the family level, some pollution-tolerant taxa were more prevalent and at higher densities during periods of sublethal toxicity, while some sensitive families were absent or reduced. These patterns may reflect site-specific mixtures of acute and chronic stressors, with laboratory toxicity tests more effectively capturing short-term impacts. Overall, these multi-decadal observations suggest that laboratory toxicity tests can help track water-quality changes linked to shifts in aquatic community diversity, despite variable responses reflecting the complexity of dynamic stressors in this impacted freshwater system.

Stevenson, Louise [ORNL] (ORCID:0000000349679897)↗

Vector bosons and jets in proton collisions

Events with vector bosons produced in association with jets have been extensively studied at hadron colliders and provide high-accuracy tests of the standard model. A good understanding of these processes is of paramount importance for precision Higgs physics, as well as for searches for new physics. In particular, associated production of γ, W, or Z bosons with light-flavor and heavy-flavor jets is a powerful tool for testing perturbative QCD calculations, Monte Carlo event generators, and can also constrain the parametrizations used to describe the parton content of the proton. Furthermore, events with a W or Z boson produced with two well-separated jets can be used to distinguish between electroweak and strong production mechanisms, and to set limits on contributions of physics beyond the standard model. This review summarizes the historical theoretical developments and the state-of-the-art in the modeling of vector-boson-plus-jet physics while focusing on experimental results by the LHC collaborations in run 1 and run 2 and including comparisons with recent measurements at the Tevatron.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Reference Materials for Laser and Xenon Flash Thermal Diffusivity Systems

This report presents the status of current standard reference materials for thermal diffusivity testing. In most thermal properties testing systems, it is common to use standard reference materials to show the reproducibility of the tests and certify the instrument is producing results within expected uncertainty range. The definition of reference materials or standards vary depending on the quality control protocols of the project. For thermal diffusivity, although there were standards available by the National Bureau of Standards (NBS) 40 years ago, there has been no recent NIST standard reference material (SRM). There are only a few sources that produce and provide traceable reference standards for thermal diffusivity. The certificate typically expires in 5 years and only applies to the specific lot of materials. Other reference materials are provided by the testing systems manufacturers. They are mostly well-known reference materials or materials used by the equipment manufacturers with historic data. However, most these reference materials no longer carry valid certificates. Various reference materials will be discussed along with the industry practice when only secondary standards are available.

36 MATERIALS SCIENCE↗

Predictive Indicators of the Performance of Large Language Models

In several mission contexts, it is desirable to estimate the performance of large language models (LLMs) on tasks that we cannot run directly. In light of published “scaling laws” our hypothesis is that some tasks should be consistently more challenging than others based on characteristics of the task. The goal of this project was to begin quantifying how much information about LLM performance can be gained from the features of a model and a task. Two of our statistical models struggled to converge. Pass/fail test results may provide limited information for inference beyond model quality and task difficulty, but we see no evidence at this time for significant feature interaction effect sizes, arguing for simple models. Future work extending the models to capitalize on perplexity of ground truth answers is suggested. This project also introduces “Depth of Knowledge Variant Testing” as a strategy for more finely assessing language models on open domain question and answer tasks. We developed sets of questions that ask a language model to produce similar information while demonstrating increasing depth of knowledge, and also relabeled existing Q&A test questions with their depth of knowledge. Our results suggest further consideration of Bloom’s taxonomy and further refinement of prompts to properly elicit information at varying depths. In the course of this work, we set up a basic infrastructure for standardizing tasks and testing many language models on these tasks. In addition to testing the predictive quality of model features and performance across test suites, with this project we have introduced two new task features to contextualize each test question: the Dewey Classification main category of information covered, and the Bloom’s taxonomy level that corresponds to the depth of knowledge probed by the question. Splits across these and other features produced over five hundred task subtypes with distinct feature vectors, which we tested on half a dozen models.

97 MATHEMATICS AND COMPUTING↗

Development of Mission Profiles for Humidity Models in the Reliability Testing of PV Inverters: Preprint

To understand the impacts of humidity on PV inverters, mission profiles were developed to accurately describe the different processes and rates based on the environmental factors of temperature, relative humidity, and irradiance. The operating environment of the device introduces stress factors dependent on component temperature, relative humidity, and component voltage. The development of profiles started from looking at historical climate conditions at Cocoa, Florida, a hot and humid location. The profile developed from field location was compared with existing humidity test profiles in industrial and military standards to determine acceleration factors. Prior to the evaluation of the mission profiles, critical components in the PV inverter were identified based on vendor discussions along with failure modes of interest. The profiles considered in this study was demonstrated using a 4-kVA string inverter. The measurements from the devices were substituted in device manufacturer specified equation to determine the severity of each test. The severity of each test was compared against the severity of the 24-hour result to determine the acceleration factor of each test. The acceleration factors were determined to be over a range of 1.2-6 for the existing humidity tests from standards, when compared against the mission profile developed from field data. This optimal humidity/thermal profile will be passed to the IEC standards development for inverter qualification testing.

humidity models↗

Studies of the weak interaction in atomic systems: towards measurements of atomic parity non-conservation in francium

Abstract Tests of the standard model of particle physics should be carried out over the widest possible range of energies. Here we present our plans and progress for an atomic parity non-conservation experiment using the heaviest alkali, francium ( Z = 87), which has no stable isotope. Low-energy tests of this kind have sensitivity complementary to higher energy searches, e.g. at the large hadron collider.

74 ATOMIC AND MOLECULAR PHYSICS↗

Nuclear Materials Packaging, Transportation, and Systems Analysis Group Software Quality Assurance Plan: ANSYS Mechanical Finite Element Analysis Software Version 2023R1

ANSYS Inc. develops and markets engineering simulation software and services used in the aerospace, automotive, manufacturing, electronics, biomedical, energy, defense, and many other industries. ANSYS is dedicated to engineering simulation and is the world’s leading software provider. ANSYS was founded in 1970 and is headquartered in Canonsburg, Pennsylvania. ANSYS provides an engineering analysis tool combining structural, thermal, computational fluid dynamics, acoustic, and electromagnetic simulation capabilities. ANSYS has two main programs, which use the same solvers: (1) Mechanical APDL (ANSYS Design Parametric Language), a Fortran-based coding platform, and (2) ANSYS Workbench, which uses a graphical user interface to aid in finite element analysis implementation. This plan covers both APDL and Workbench. The ANSYS computer program is a large-scale, multipurpose finite element program that can be used to solve several classes of engineering analyses. The analysis capabilities of ANSYS include the ability to solve static and dynamic structural analyses, steady-state and transient heat transfer problems, mode-frequency and buckling eigenvalue problems, static or time-varying magnetic analyses, and various types of field and coupled-field applications. The program contains many special features that allow nonlinearities or secondary effects such as plasticity, large strain, hyperelasticity, creep, swelling, large deflections, contact, stress stiffening, temperature dependency, material anisotropy, and radiation to be included in the solution. As ANSYS has been developed, other special capabilities such as substructuring, submodeling, random vibration, kinetostatics, kinetodynamics, free convection fluid analysis, acoustics, magnetics, piezoelectrics, coupled-field analysis, and design optimization have been added to the program. These capabilities contribute further to making ANSYS a multipurpose analysis tool for varied engineering disciplines. The ANSYS program has been in commercial use for over 50 years and has been used extensively in the aerospace, automotive, construction, electronic, energy services, manufacturing, nuclear, plastics, oil, and steel industries. Additionally, many consulting firms and hundreds of universities have used ANSYS for analysis, research, and educational purposes. ANSYS is recognized worldwide as one of the most widely used and capable programs of its type. Ansys design analysis software is the first created within a quality system with ISO 9001 certification, the internationally accepted quality standard. Product development, testing, maintenance and support processes also meet the United States Nuclear Regulatory Commission's quality requirements, as they have for nearly four decades. The Quality Assurance Service Agreement is suitable for the customers working in the nuclear industry who need to meet specific federal regulations including 10CRF50 Appendix B and provisions of 10CFR21. ANSYS has retained its original International Organization for Standardization (ISO) 9001 accreditation certificate since1995-05-04, It’s current certificate is valid until 2027-05-29.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

A windowed mean trajectory approximation for condensed phase dynamics

We propose a trajectory-based quasi-classical method for approximating dynamics in condensed phase systems. Building upon the previously developed optimized mean trajectory approximation that has been used to compute linear and nonlinear spectra, we borrow some ideas from filtering trajectory methods to obtain a novel semiclassical method for the dynamical propagation of density matrices. This new approximation is tested rigorously against standard multistate electronic models, spin-boson models, and models of the Fenna–Matthews–Olson complex. For dissipative systems, the current method is significantly better or as good as many other semiclassical methods available, especially at low temperatures and for off-diagonal density matrix elements, whereas for scattering models, the current method bears similar limitations as mean-field propagation schemes. All results are tested against the numerically exact hierarchical equations of motion method. In conclusion, the new method shows excellent agreement across various parameter regimes with numerically exact results, highlighting the robustness and accuracy of our approach.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The dark energy survey supernova program: investigating beyond-ΛCDM

We report constraints on a variety of non-standard cosmological models using the full 5-yr photometrically classified type Ia supernova sample from the Dark Energy Survey (DES-SN5YR). Both Akaike Information Criterion (AIC) and Suspiciousness calculations find no strong evidence for or against any of the non-standard models we explore. When combined with external probes, the AIC and Suspiciousness agree that 11 of the 15 models are moderately preferred over Flat-|$\Lambda$|CDM suggesting additional flexibility in our cosmological models may be required beyond the cosmological constant. We also provide a detailed discussion of all cosmological assumptions that appear in the DES supernova cosmology analyses, evaluate their impact, and provide guidance on using the DES Hubble diagram to test non-standard models. An approximate cosmological model, used to perform bias corrections to the data holds the biggest potential for harbouring cosmological assumptions. We show that even if the approximate cosmological model is constructed with a matter density shifted by |$\Delta \Omega _{\rm m}\sim 0.2$| from the true matter density of a simulated data set the bias that arises is subdominant to statistical uncertainties. Nevertheless, we present and validate a methodology to reduce this bias.

79 ASTRONOMY AND ASTROPHYSICS↗