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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 37 records · Page 2

A Sequential Quadratic Programming Algorithm for Nonsmooth Problems with Upper- \({\boldsymbol{\mathcal{C}^2}}\) Objective

An optimization algorithm for nonsmooth nonconvex constrained optimization problems with upper- \({\boldsymbol{\mathcal{C}^2}}\) objective functions is proposed and analyzed. Upper- \({\boldsymbol{\mathcal{C}^2}}\) is a weakly concave property that exists in difference of convex (DC) functions and arises naturally in many applications, particularly certain classes of solutions to parametric optimization problems e.g., recourse of stochastic programming and projection onto closed sets. The algorithm can be viewed as an extension of sequential quadratic programming (SQP) to nonsmooth problems with upper- \({\boldsymbol{\mathcal{C}^2}}\) objectives or a simplified bundle method. It is globally convergent with bounded algorithm parameters that are updated with a trust-region criterion. The algorithm handles general smooth constraints through linearization and uses a line search to ensure progress. The potential inconsistencies from the linearization of the constraints are addressed through a penalty method. In conclusion, the capabilities of the algorithm are demonstrated by solving both simple upper- \({\boldsymbol{\mathcal{C}^2}}\) problems and a real-world optimal power flow problem used in current power grid industry practices.

97 MATHEMATICS AND COMPUTING↗

A parametric finite element study for determining burst strength of thin and thick-walled pressure vessels

To accurately predict the burst strength of both thin and thick-walled pressure vessels (PVs), a parametric study of PV burst strength was performed for a wide range of vessel geometries and materials using elastic-plastic finite element analysis (FEA). A valid FEA model was established through a detailed study of 2D versus 3D FEA models, the critical stress failure criterion versus the limit load criteria, and the thick-wall effect on the FEA simulations. Here, the results show that the stresses and strains at the mean diameter, rather than outside diameter, determines a more accurate burst strength for both thin and thick-walled PVs. On this basis, a parametrized FEA script using the ABAQUS Python application programming interface (API) was used to create a large database of PV burst strengths for a variety of vessel geometries and materials, demonstrating that Python scripting is a powerful technique for performing parametric studies or generating large databases. From the FEA results, using the regression method, a new burst pressure model was developed as a function of the vessel geometry (D/t ratio) and material properties (UTS and n). As validated by a large number of full-scale burst test data, the proposed burst model can very accurately predict the burst strength for both thin and thick-walled PVs.

42 ENGINEERING↗

Performance estimation of resonance-enhanced dual-buoy wave energy converter using coupled time-domain simulation

This article presents the modeling methodology and performance evaluation of the resonance-enhanced dual-buoy WEC (Wave Energy Converter) by HEM (hydrodynamic & electro-magnetic) fully-coupled-dynamics time-domain-simulation program. The numerical results are systematically compared with the authors’ 1/6-scale experiment. With a direct-drive linear generator, the WEC consists of dual floating cylinders and a moon-pool between the cylinders, which can utilize three resonance phenomena from moon-pool dynamics as well as heave motions of inner and outer buoys. The contact and friction between the two buoys observed in the experiment are also properly modeled in the time-domain simulation by the Coulomb-friction model. Moon-pool resonance peaks significantly exaggerated in linear potential theory are empirically adjusted through comparisons with measured values. A systematic comparative study between the simulations and experiments with and without PTO (power-take-off) is conducted, and the relative heave displacements/velocities and power outputs are well matched. Then, parametric studies are carried out with the simulation program to determine optimum generator parameters. The performance with various wave conditions is also assessed.

16 TIDAL AND WAVE POWER↗

Accurate and Simple Parametrization to Estimate Solar UV from GHI and Other Accessible Variables

This study is part of a broader program that aims to generate reliable ultraviolet (UV) data for several applications. This work presents a simple and fast parametrization to estimate UV solar irradiation at the ground level from global horizontal irradiance (GHI) information. The work focuses on UVB (280-315 nm) and erythemic UV (UVE) irradiance weighted by the average skin response.

GHI↗

Domain Aware Deep-learning Algorithms Integrated with Scientific-computing Technologies (DADAIST)

This technical report summarized the contribution of the DADAIST project funded by the Data Model Convergence Initiative via the Laboratory Directed Research and Development (LDRD) investments at Pacific Northwest National Laboratory (PNNL). Specifically, we report the development of the NeuroMANCER (Neural Modules with Adaptive Nonlinear Constraints and Efficient Regularizations), a new open-source Scientific Machine Learning library for formulating and solving parametric constrained optimization problems, physics-informed system identification, and parametric optimal control problems. NeuroMANCER is using differentiable programming to combine modern data-driven models and optimization modeling language into a coherent algorithmic and software framework. NeuroMANCER is a Pytorch-based framework and adopts much of its philosophy focused on research and development, rapid prototyping, and streamlined deployment. Strong emphasis is given to extensibility, interoperability with the PyTorch ecosystem, and quick adaptability to custom domain problems. Neuromancer repository contains a comprehensive library of differentiable modules, including custom activation functions, matrix factorizations, deep learning architectures, neural differential equations, differential equation solvers, implicit layers such as iterative solvers, high-level API for symbolic expressions, API for modeling and control of dynamical systems, and extensive set of tutorial code examples in the form of python scripts and jupyter notebooks.

97 MATHEMATICS AND COMPUTING↗

Numerical Modeling and Parametric Study of a Dual Purpose Underground Thermal Battery

Buildings’ thermal energy systems for providing space heating/cooling consume a considerable amount of electricity nationwide. Integrating thermal energy storage with buildings’ thermal systems has the potential to shave the peak electric demand and to overcome the mismatch between the intermittent renewable power and the fluctuating daily demand for electricity. A novel dual-purpose underground thermal battery (DPUTB) has been developed to provide diurnal thermal energy storage in conjunction with a dual-source heat pump (DSHP)system. A two-dimensional numerical model is developed to simulate the transient performance of the DPUTB. This model has similar accuracy as a detailed three-dimensional model developed with commercial heat transfer and fluid dynamics simulation program but with 1000 times faster computational speed. A parametric study is performed to identify a design of the DPUTB that can provide 14 kWh thermal storage capacity for each charging and discharging cycle. A system simulation has been developed to assess the performance of the designed DPUTB when it is integrated with a DSHP for conditioning a typical residential building in summer and winter. Simulation results indicate that the DPUTB can meet all the design requirements in both summer and winter with the simple rule-based control strategy and the overall integrated DPUTB and DSHP system can shift the electric load for meeting the thermal demand from the peak hours to off-peak hours during a day, which would result in considerable energy cost savings if a Time of Use electricity tariff is applicable.

25 ENERGY STORAGE↗

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↗

RELICS: Strong Lensing Analysis of MACS J0417.5–1154 and Predictions for Observing the Magnified High-redshift Universe with JWST

Strong gravitational lensing by clusters of galaxies probes the mass distribution at the core of each cluster and magnifies the universe behind it. MACS J0417.5–1154 at z = 0.443 is one of the most massive clusters known based on weak lensing, X-ray, and Sunyaev–Zel'dovich analyses. In this work we compute a strong lens model of MACS J0417 based on Hubble Space Telescope imaging observations collected, in part, by the Reionization Lensing Cluster Survey (RELICS), and recently reported spectroscopic redshifts from the MUSE instrument on the Very Large Telescope (VLT). We measure an Einstein radius of ${\theta }_{E}\simeq 36^{\prime\prime} $ at z = 9 and a mass projected within 200 kpc of ${M}_{(200\mathrm{kpc})}={1.78}_{-0.03}^{+0.01}\times {10}^{14}$ M ${}_{\odot }$. Using this model, we measure a ratio between the mass attributed to cluster-member galaxy halos and the main cluster halo of order 1:100. We assess the probability to detect magnified high-redshift galaxies in the field of this cluster, both for comparison with RELICS HST results and as a prediction for the James Webb Space Telescope (JWST) Guaranteed Time Observations upcoming for this cluster. Our lensing analysis suggests that this cluster has similar lensing strength to other clusters in the RELICS program. Our lensing analysis predicts a detection of at least a few z ~ 6–8 galaxies behind this cluster, at odds with a recent analysis that yielded no such candidates in this field. Reliable strong lensing models are important for accurately predicting the intrinsic properties of lensed galaxies. As part of the RELICS program, our strong lensing model produced with the Lenstool parametric method is publicly available through the Mikulski Archive for Space Telescopes.

79 ASTRONOMY AND ASTROPHYSICS↗

CNC Module for Turning: A New CAM Application

The integrated CAM application for the KOMPAS-3D environment known as CNC Module for Turning is considered. This application permits automated development of control programs for numerically controlled lathes. The user may readily adapt the CAM application for specific production conditions and machine tools, thanks to features such as the following: representation of the cutting tools by means of parametric 3D models, the possibility of including fixed CNC cycles in the control programs, and the use of the Python language for programming of the postprocessors.

42 ENGINEERING↗

Multiparametric Programming in Process Systems Engineering: Recent Developments and Path Forward

The inevitable presence of uncertain parameters in critical applications of process optimization can lead to undesirable or infeasible solutions. For this reason, optimization under parametric uncertainty was, and continues to be a core area of research within Process Systems Engineering. Multiparametric programming is a strategy that offers a holistic perspective for the solution of this class of mathematical programming problems. Specifically, multiparametric programming theory enables the derivation of the optimal solution as a function of the uncertain parameters, explicitly revealing the impact of uncertainty in optimal decision-making. By taking advantage of such a relationship, new breakthroughs in the solution of challenging formulations with uncertainty have been created. Apart from that, researchers have utilized multiparametric programming techniques to solve deterministic classes of problems, by treating specific elements of the optimization program as uncertain parameters. In the past years, there has been a significant number of publications in the literature involving multiparametric programming. The present review article covers recent theoretical, algorithmic, and application developments in multiparametric programming. Additionally, several areas for potential contributions in this field are discussed, highlighting the benefits of multiparametric programming in future research efforts.

Pappas, Iosif↗

The simulation of the sensitivity of the Antarctic Impulsive Transient Antenna (ANITA) to Askaryan radiation from cosmogenic neutrinos interacting in the Antarctic Ice

A Monte Carlo simulation program for the radio detection of Ultra High Energy (UHE) neutrino interactions in the Antarctic ice as viewed by the Antarctic Impulsive Transient Antenna (ANITA) is described in this article. The program, icemc, provides an input spectrum of UHE neutrinos, the parametrization of the Askaryan radiation generated by their interaction in the ice, and the propagation of the radiation through ice and air to a simulated model of the third and fourth ANITA flights. Lastly, this paper provides an overview of the icemc simulation, descriptions of the physics models used and of the ANITA electronics processing chain, data/simulation comparisons to validate the predicted performance, and a summary of the impact of published results.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Dark energy survey: Modeling strategy for multiprobe cluster cosmology and validation for the full six-year dataset

Here, we introduce an updated To&Krause2021 model for joint analyses of cluster abundances and large-scale two-point correlations of weak lensing and galaxy and cluster clustering (termed CL+3×2 pt analysis) and validate that this model meets the systematic accuracy requirements of analyses with the statistical precision of the final Dark Energy Survey (DES) Year 6 (Y6) dataset. The validation program consists of two distinct approaches, (i) identification of modeling and parametrization choices and impact studies using simulated analyses with each possible model misspecification and (ii) end-to-end validation using mock catalogs from customized Cardinal simulations that incorporate realistic galaxy populations and DES-Y6-specific galaxy and cluster selection and photometric redshift modeling, which are the key observational systematics. In combination, these validation tests indicate that the model presented here meets the accuracy requirements of DES-Y6 for CL+3×2 pt based on a large list of tests for known systematics. In addition, we also validate that the model is sufficient for several other data combinations: the CL+GC subset of this data vector (excluding galaxy–galaxy lensing and cosmic shear two-point statistics) and the CL+3×2 pt+BAO+SN (combination of CL+3×2 pt with the previously published Y6 DES baryonic acoustic oscillation and Y5 supernovae data).

79 ASTRONOMY AND ASTROPHYSICS↗

HERO CarbonSAFE Phase 2 Project in the Columbia River Basalt Group

The Hermiston, Oregon Basalt CarbonSAFE Phase II project (HERO CarbonSAFE) seeks to accelerate the deployment of commercial carbon dioxide (CO2) storage projects in basaltic rocks. Basalt CO2 storage has several advantages to conventional saline storage reservoirs including 1. The potential for rapid mineralization of CO2, 2. Associated decreases in pressure and CO2 migration risks, 3. Reduced long-term monitoring requirements with respect to plume tracking, 4. Widespread geographic distribution and, 5. Large storage potential due to thickness, porosity, and CO2 interactions with basalt. And for locations such as the Pacific Northwest, Hawaii, Iceland, India and Japan, basalts may offer the only economically feasible option for local CO2 storage. However, there are limited field-scale assessments of CO2 storage in basalt, and current carbon capture utilization and storage (CCUS) permitting and regulatory frameworks were developed for conventional saline reservoirs. HERO CarbonSAFE is designed to address research gaps and uncertainties associated with basalt storage. Specifically, the project will assess the feasibility of CO2 injection in the deep layered basalts, long-term storage (mineralization), practical approaches for large-scale implementation (50+ million metric tons of CO2 over 30 years), lithology-specific risks, and the technoeconomic potential for CO2 storage in basalts. The HERO CarbonSAFE project will assess feasibility of developing a commercial-scale (50+ million metric tons of CO2) geological storage complex within the Columbia River Basalt Group (CRBG), a layered continental flood basalt complex that underlies Calpine’s natural gas-fired Hermiston Power Project (HPP) in Hermiston, OR (Figure 1). Under this 2-year CarbonSAFE Phase II project, the HERO team will conduct a data acquisition campaign that includes drilling a stratigraphic well to a total depth of ~1,500 m into the thick layered basalts proximal to HPP. A comprehensive well logging and hydrologic testing program will be augmented with new core collected from flow zones and sealing units, and comprehensive laboratory testing to help refine the kinetic rates of mineralization. The newly acquired information will be integrated with existing data from regional wells to correlate basalt injection zone properties to develop storage hub/commercial-scale models. Using these models, the project team will evaluate injection scenarios to define the technical and economic potential for storing a minimum of 50 million metric tons of CO2 over a 30-year period, along with a robust sensitivity analysis on key parameters governing reservoir viability for sustainable injection over a commercial project lifetime. Specific technical objectives of HERO are: (1) assessing the reservoir response of a series of stacked layered reservoir flowtop sequences occurring in this area of the CRBG to commercial-scale injection volumes; (2) extending prior efforts by the project team to characterize the deep layered basalts encountered in regional studies, to leverage prior investments by U.S. Department of Energy’s (DOE) Carbon Storage program; (3) leveraging DOE’s mineralization characterization efforts to advance model parametrization for commercial scale injection of CO2 in basalts; (4) conducting risk assessments associated with scaling up to commercial storage hub injection goals, while validating DOE’s National Risk Assessment Partnership (NRAP) tools, to identify potential constraints that would prevent the CRBG from serving as a commercial-scale storage complex; (5) developing mitigation plans to address identified risks; (6) developing a commercial-scale injection and monitoring, verification and accounting (MVA) strategy; (7) utilizing computational models to define and minimize, if possible, the Area of Review (AoR) under Class VI regulations; and (8) developing a robust CO2 management strategy for CRBG that also considers a regional source/sink approach that is responsive to stakeholder needs and industrial demand. Specific institutional objectives are: (1) identifying and developing plans to mitigate the nontechnical challenges associated with the build-out of a commercial-scale storage complex within the CRBG with integrated CO2 sources; (2) implementing the community outreach plan; (3) conducting regulatory research, including a survey of issues related to pore space ownership, MVA and long-term assurance of mineralization-based storage, to support an eventual application for a UIC Class VI permit; (4) advancing the project’s plan for CO2 liability management; and (5) continuing to refine and update the project’s economic model. The final objective is the preparation of a comprehensive Site Characterization Plan that draws upon the technical and institutional feasibility assessments to prepare the project for future commercialization efforts.

58 GEOSCIENCES↗

Noise Is Not Error: Detecting Parametric Heterogeneity Between Epidemiologic Time Series

Mathematical models play a central role in epidemiology. For example, models unify heterogeneous data into a single framework, suggest experimental designs, and generate hypotheses. Traditional methods based on deterministic assumptions, such as ordinary differential equations (ODE), have been successful in those scenarios. However, noise caused by random variations rather than true differences is an intrinsic feature of the cellular/molecular/social world. Time series data from patients (in the case of clinical science) or number of infections (in the case of epidemics) can vary due to both intrinsic differences or incidental fluctuations. The use of traditional fitting methods for ODEs applied to noisy problems implies that deviation from some trend can only be due to error or parametric heterogeneity, that is noise can be wrongly classified as parametric heterogeneity. This leads to unstable predictions and potentially misguided policies or research programs. In this paper, we quantify the ability of ODEs under different hypotheses (fixed or random effects) to capture individual differences in the underlying data. We explore a simple (exactly solvable) example displaying an initial exponential growth by comparing state-of-the-art stochastic fitting and traditional least squares approximations. We also provide a potential approach for determining the limitations and risks of traditional fitting methodologies. Finally, we discuss the implications of our results for the interpretation of data from the 2014-2015 Ebola epidemic in Africa.

59 BASIC BIOLOGICAL SCIENCES↗

Benchmarking Parametric and Machine Learning Models for Genomic Prediction of Complex Traits

The usefulness of genomic prediction in crop and livestock breeding programs has prompted efforts to develop new and improved genomic prediction algorithms, such as artificial neural networks and gradient tree boosting. However, the performance of these algorithms has not been compared in a systematic manner using a wide range of datasets and models. Using data of 18 traits across six plant species with different marker densities and training population sizes, we compared the performance of six linear and six non-linear algorithms. First, we found that hyperparameter selection was necessary for all non-linear algorithms and that feature selection prior to model training was critical for artificial neural networks when the markers greatly outnumbered the number of training lines. Across all species and trait combinations, no one algorithm performed best, however predictions based on a combination of results from multiple algorithms (i.e., ensemble predictions) performed consistently well. While linear and non-linear algorithms performed best for a similar number of traits, the performance of non-linear algorithms vary more between traits. Although artificial neural networks did not perform best for any trait, we identified strategies (i.e., feature selection, seeded starting weights) that boosted their performance to near the level of other algorithms. Our results highlight the importance of algorithm selection for the prediction of trait values.

59 BASIC BIOLOGICAL SCIENCES↗

Benchmarking parametric and machine learning models for genomic prediction of complex traits

The usefulness of genomic prediction in crop and livestock breeding programs has prompted efforts to develop new and improved genomic prediction algorithms, such as artificial neural networks and gradient tree boosting. However, the performance of these algorithms has not been compared in a systematic manner using a wide range of datasets and models. Using data of 18 traits across six plant species with different marker densities and training population sizes, we compared the performance of six linear and six non-linear algorithms. First, we found that hyperparameter selection was necessary for all non-linear algorithms and that feature selection prior to model training was critical for artificial neural networks when the markers greatly outnumbered the number of training lines. Across all species and trait combinations, no one algorithm performed best, however predictions based on a combination of results from multiple algorithms (i.e. ensemble predictions) performed consistently well. While linear and non-linear algorithms performed best for a similar number of traits, the performance of non-linear algorithms vary more between traits. Although artificial neural networks did not perform best for any trait, we identified strategies (i.e. feature selection, seeded starting weights) that boosted their performance to near the level of other algorithms. Our results highlight the importance of algorithm selection for the prediction of trait values.

59 BASIC BIOLOGICAL SCIENCES↗

When Do Efficiency and Demand Flexibility Go Hand-in-hand?

Utilities have been experimenting with integrated demand side management (IDSM) programs since the 2000s. The potential benefits of improved program cost-effectiveness and customer engagement from combining energy efficiency (EE), demand flexibility (DF), and other distributed energy resources into an integrated customer offering have been recognized although there are several known regulatory and program administrative challenges. In addition, as buildings adopt EE measures, the baseline load profile change generally reduces the potential load that can be shed or shifted. This has been a significant technical barrier for customers and program implementers. However, it is a myth that EE always reduces DF. Load change from EE can be time-varying. Therefore, whether EE improves or reduces DF should be evaluated on an individual measure basis accounting for weather dependencies and interactions. For IDSM program design purpose, it is useful to understand how common EE features influence DF and the underlying building physics. In this paper, we use parametric simulations of a prototype medium office building to evaluate how various EE features influence DF, measured by a “demand decrease intensity” (W/ft2) metric. These EE features cover envelope characteristics, internal loads, and airside HVAC system. The parametric analysis shows that some efficient HVAC control measures will increase DF but not the traditional building envelope, lighting, and ventilation-related efficiency measures. These findings contribute to the technical basis for achieving enhanced energy benefits by packaging appropriate HVAC control measures in IDSM program design. Program developers should further validate these results in targeted pilot projects.

Yu, Lili↗

Radiative Corrections to Superallowed β Decays in Effective Field Theory

The accuracy of V u d determinations from superallowed β decays critically hinges on control over radiative corrections. Recently, substantial progress has been made on the single-nucleon, universal corrections, while nucleus-dependent effects, typically parametrized by a quantity δ NS , are much less well constrained. Here, we lay out a program to evaluate this correction from effective field theory (EFT), highlighting the dominant terms as predicted by the EFT power counting. Moreover, we compare the results to a dispersive representation of δ NS and show that the expected momentum scaling applies even in the case of low-lying intermediate states. Our EFT framework paves the way toward calculations of δ NS and thereby addresses the dominant uncertainty in V u d . Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗