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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

Phase field benchmark problems targeting fluid flow and electrochemistry

Here, we continue our development of phase field model benchmark problems with the addition of a third set, complimenting our previously developed problems for diffusion, precipitation, dendritic growth and linear elasticity. These benchmark problems are being jointly developed by the Center for Hierarchical Materials Design (CHiMaD) and the National Institute of Standards and Technology (NIST) along with input from the phase field community. The first problem in this third set targets Stokes flow, with a particular emphasis on flow around an obstruction placed asymmetrically in the domain. While Stokes flow is not traditionally in the canon of phase field problems, it is a class of problems gaining importance in areas such as filtration and water purification. The second problem deals with coupled Cahn-Hilliard diffusion and electrostatic forces, which is an important area in energy storage and battery sciences. We present our own solutions and discuss sources of numerical errors for the Stokes problem as well as simple checks to avoid fundamental issues in the coupled diffusion-electrostatics problem. The latter problem contains some subtleties that we expand on in an Appendix.

36 MATERIALS SCIENCE↗

Convergence of variational Monte Carlo simulation and scale-invariant pre-training

We provide theoretical convergence bounds for the variational Monte Carlo (VMC) method as applied to optimize neural network wave functions for the electronic structure problem. Here, we study both the energy minimization phase and the supervised pre-training phase that is commonly used prior to energy minimization. For the energy minimization phase, the standard algorithm is scale-invariant by design, and we provide a proof of convergence for this algorithm without modifications. The pre-training stage typically does not feature such scale-invariance. We propose using a scale-invariant loss for the pretraining phase and demonstrate empirically that it leads to faster pre-training.

97 MATHEMATICS AND COMPUTING↗

Numerical Simulation and Experimental Validation of Joint Performance in Aluminum-Steel Lap Welds Formed by Friction Stir Dovetailing

Friction stir dovetailing (FSD) is a new dissimilar material joining process that simultaneously forms a mechanical interlock and metallurgical bond at the dissimilar material interface. This work presents development of a modeling and simulation approach to predict mechanical performance of FSD thick section aluminum to steel joints. A finite element analysis (FEA) was carried out in order to predict the load-carrying capacity and failure location for aluminum thicknesses between 12.7 mm and 50.8 mm with different numbers of dovetails. The numerical results and corresponding experimental investigation are in agreement and suggest that the developed methods can be used effectively for design and analysis of FSD joints using standard FEA tools.

Friction stir dovetailing, Friction stir welding, ↗

Combustion characteristics and detailed simulations of surrogates for a Tier II gasoline certification fuel

An experimental and numerical study of combustion of a gasoline certification fuel (‘indolene’), and four (S4) and five (S5) component surrogates for it, is reported for the configurations of an isolated droplet burning with near spherical symmetry in the standard atmosphere, and a single cylinder engine designed for advanced compression ignition of pre-vaporized fuel. The intent was to compare performance of the surrogate for these different combustion configurations and to assess the broader applicability of the kinetic mechanism and property database for the simulations. A kinetic mechanism comprised of 297 species and 16,797 reactions was used in the simulations that included soot formation and evolution, and accounted for unsteady transport, liquid diffusion inside the droplet, radiative heat transfer, and variable properties. The droplet data showed a clear preference for the S5 surrogate in terms of burning rate. The simulations showed generally very good agreement with measured droplet, flame, and soot shell diameters. Measurements of combustion timing, in-cylinder pressure, and mass-averaged gas temperature were also well predicted with a slight preference for the S5 surrogate. Preferential vaporization was not evidenced from the evolution of droplet diameter but was clearly revealed in simulations of the evolution of mixture fractions inside the droplets. Here, the influence of initial droplet diameter (D o ) on droplet burning was strong, with S5 burning rates decreasing with increasing D o due to increasing radiation losses from the flame. Flame extinction was predicted for D o =3.0 mm as a radiative loss mechanism but not predicted for smaller D o for the conditions of the simulations.

42 ENGINEERING↗

Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs

We report that community efforts in the computational molecular sciences (CMS) are evolving toward modular, open, and interoperable interfaces that work with existing community codes to provide more functionality and composability than could be achieved with a single program. The Quantum Chemistry Common Driver and Databases (QCDB) project provides such capability through an application programming interface (API) that facilitates interoperability across multiple quantum chemistry software packages. In tandem with the Molecular Sciences Software Institute and their Quantum Chemistry Archive ecosystem, the unique functionalities of several CMS programs are integrated, including CFOUR, GAMESS, NWChem, OpenMM, Psi4, Qcore, TeraChem, and Turbomole, to provide common computational functions, i.e., energy, gradient, and Hessian computations as well as molecular properties such as atomic charges and vibrational frequency analysis. Both standard users and power users benefit from adopting these APIs as they lower the language barrier of input styles and enable a standard layout of variables and data. These designs allow end-to-end interoperable programming of complex computations and provide best practices options by default.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Transforming the bootstrap: using Transformers to compute scattering amplitudes in planar N = 4 Super Yang-Mills theory

Abstract We pursue the use of deep learning methods to improve state-of-the-art computations in theoretical high-energy physics. Planar N = 4 Super Yang-Mills theory is a close cousin to the theory that describes Higgs boson production at the Large Hadron Collider; its scattering amplitudes are large mathematical expressions containing integer coefficients. In this paper, we apply Transformers to predict these coefficients. The problem can be formulated in a language-like representation amenable to standard cross-entropy training objectives. We design two related experiments and show that the model achieves high accuracy (> 98%) on both tasks. Our work shows that Transformers can be applied successfully to problems in theoretical physics that require exact solutions.

Cai, Tianji (ORCID:0000000232359486)↗

mDNS to support local price server discovery with OpenADR 3 (mDNS for OpenADR 3) v1.0

This software contains a template VEN with local VTN service discovery over mDNS. It provides common starter code for an OpenADR3.0 VEN that advertises itself over mDNS, conducts local VTN service discovery over mDNS, connects to the VTN over HTTP(S), and regularly polls and acts on energy prices and events hosted on the VTN. The software is written to be easily modified to accommodate different VEN appliances, VEN-VTN networking protocols, user interfaces, and default responses, given the wide range of possible use cases for local price server discovery. OpenADR3.0 is an open communications standard from the OpenADR Alliance that is designed to provide two-way information exchange regarding e.g., dynamic price and event signals to utility applications, so that customers can modify their energy usage to save money and reduce their carbon footprint.

Nordman, Bruce [Lawrence Berkeley National Laborat↗

Monitoring the Caustic Dissolution of Aluminum Alloy in a Radiochemical Hot Cell Using Raman Spectroscopy

Chemical processing of highly radioactive materials commonly takes place in heavily shielded hot cells. The remote, real-time monitoring of chemical processing streams via optical spectroscopic techniques in hot cells may be particularly useful. Here in this paper, we describe the implementation of Raman spectroscopy and chemometric analysis to monitor the dissolution of aluminum-clad targets containing irradiated aluminum–neptunium oxide cermet pellets in caustic solutions in a hot cell environment. Partial least squares regression analysis was used to generate calibration models to quantify the concentration of dissolved aluminum, nitrate, and hydroxide in solutions within the radiochemical hot cell. This work explored a systematic approach to optimize a matrix of calibration standards using a D-optimal experimental design. The Design of Experiments-based regression model, in comparison to more traditional analytical approaches, was found to be the more practical method for building calibration models, with fewer samples, to obtain informative analytical data from Raman spectra.

36 MATERIALS SCIENCE↗

Use Attainability Analysis Aquatic Life Uses for Perennial Reach of Sandia Canyon [Slides]

The following information will be presented during the February 23, 2022 Accord Pueblos Technical Meeting. The purpose of the study is to determine if natural thermal conditions are preventing the attainment of Coldwater Aquatic Life Use in the perennial reach of the upper Sandia Canyon Assessment Unit (Sandia AU). The New Mexico Water Quality Standards allow for a change in the designated use if a Use Attainability Analysis (UAA) demonstrates that the use is not attainable due to one or more of six factors listed in 40 CFR 131.10(g), including naturally occurring pollutant concentrations. The Sandia AU is located in a perennial reach of upper Sandia Canyon between Sigma Canyon and NPDES Outfall 001. The classified Segment 20.6.4.126 NMAC comprises perennial waters within Los Alamos National Laboratory boundaries and includes the Sandia AU. Persistent surface flows originate from NPDES permitted effluent releases. These releases have occurred since the early 1950’s and continue today. The UAA examines several lines of evidence. NMED’s Air-Water Temperature Correlation (AWTC) model is used for identifying appropriate stream classifications and attainable aquatic life use subcategories. The model correlates between July average air temperatures (ATEMP) and maximum weekly average stream temperatures. Air temperatures are obtained from PRISM and LANL Meteorological Towers and used to derive ATEMP. Thermographs were placed in the Sandia AU to obtain measured stream temperatures during summer months when stream temperatures are the highest. Measured data is used with AWTC modeled data to determine if the Sandia AU is meeting its natural air temperature driven thermal condition.

54 ENVIRONMENTAL SCIENCES↗

Next-Generation Marine Energy Software Needs Assessment

The U.S. Department of Energy (DOE) Water Power Technologies Office’s (WPTO) initial investment in marine energy software was driven by needs identified over a decade ago. WPTO-funded research was first launched because of a U.S. congressional mandate that called for the DOE to officially research marine energy technologies, which also established the DOE WPTO in 2008. A congressional mandate requested the WPTO to evaluate a variety of marine energy devices, establish baseline levelized cost of energy estimates, and provide an overall report to Congress. This congressional mandate led to the Reference Model Project (RMP), for which WPTO funded a national multi-laboratory team to develop these reference models, based on state-of-the-art designs of six marine energy converter archetypes that consisted of three current energy converters and three wave energy converters (WEC). Each device was designed to operate for a specific marine resource, thus allowing the devices to serve as reference models for future studies. The RMP congressional report cited the need for improved marine energy software to handle a variety of device designs, as well as a need to standardize performance outputs. Without validated software packages and established metrics, information presented to the WPTO by technology developers could be incorrect or inaccurate and result in misleading conclusions. The recommendation to coordinate WPTO investment in software for numerical modeling and analysis was given a high priority because it would directly fill needs at the time, and focused funding would amplify impact. By sponsoring software development, WPTO would provide industry developers, university researchers, and national laboratories software that could be used, customized, and advanced, thus supporting the overall advancement of marine energy.

16 TIDAL AND WAVE POWER↗

Evaluation of AI-enabled Digital Documented Safety Analysis

The National Reactor Innovation Center (NRIC) is leading a transformative initiative to accelerate advanced reactor deployment by fundamentally reimagining how nuclear safety basis documentation is developed, reviewed, and maintained. Traditional Documented Safety Analysis (DSA) processes for DOE-authorized facilities rely on static, document-centric workflows that consume significant time and resources, exemplified by recent major licensing efforts requiring hundreds of thousands of staff hours and millions of pages of documentation review. These conventional approaches create barriers to the rapid, cost-effective deployment of advanced reactors that America's future energy needs demand. NRIC's DOE Authorization Digital Transformation Project addresses these challenges through an innovative framework that integrates artificial intelligence (AI), digital engineering, and systems-based data management into a cohesive digital ecosystem. This white paper presents NRIC's methodology for evaluating AI-enabled document generation capabilities within this broader digital infrastructure, using the Demonstration of Microreactor Experiments (DOME) facility as a pilot case study. The evaluation will assess an AI tool's ability to generate a Preliminary Documented Safety Analysis (PDSA) through progressive integration stages—from standalone document processing to full digital thread connectivity—while maintaining rigorous verification, validation, and regulatory acceptance standards. By establishing dynamic, traceable connections between design data and safety documentation, NRIC's approach has the potential to reduce both document development time and regulatory review cycles by as much as 50%, while simultaneously improving accuracy, consistency, and traceability. This initiative represents a critical step toward establishing reusable digital infrastructure that reactor developers can leverage to accelerate their path from concept to commercial operation, directly supporting NRIC's mission to demonstrate and deploy advanced nuclear energy technologies.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

Gamma-based nuclear fusion measurements at inertial confinement fusion facilities

Experiments performed on an inertial confinement fusion (ICF) platform offer a unique opportunity to study nuclear reactions, including reaction branches that are useful for diagnostic applications in ICF experiments as well as several that are relevant to nuclear astrophysics. In contrast to beam-accelerator experiments, experiments performed on an ICF platform occur over a short time scale and produce a plasma environment with physical parameters that are directly relevant to big bang and/or stellar nucleosynthesis. Several reactions of interest, such as D(T,γ) 5 He, H(D,γ) 3 He, H(T,γ) 4 He, and T( 3 He,γ) 6 Li produce high-energy gamma rays. S factors or branching ratios for these four reactions have recently been studied using various temporally-resolved Cherenkov detectors at the Omega laser facility. This work describes these detectors as well as the current standard technique for performing these measurements. Recent results for reactions D(T,γ) 5 He, H(D,γ) 3 He, H(T,γ) 4 He, and T( 3 He,γ) 6 Li are reviewed and compared to accelerator-based measurements. Limitations associated with implosion experiments and use of the current standard gamma detectors are discussed. A basic design for a gamma spectrometer for use at ICF facilities is briefly outlined.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Responses of a Modular Floating Wind TLP of MarsVAWT Supporting a 10 MW Vertical Axis Wind Turbine

Offshore floating wind foundations supporting a large wind turbine require a large yard facility or significant facility upgrades for their fabrication. To overcome the cost increase associated with facility upgrades, an innovative lightweight modular floating foundation is developed. The foundation comprises multiple modules to enable their assembly on water, offering many benefits and expanding fabrication options for a reduction in the overall cost of the platform. In this paper, the foundation modules and their assembly are briefly described, and an analysis of the platform’s dynamic responses is presented. The modular foundation includes a modular and lightweight tension leg platform (TLP) called “MarsVAWT” which supports a Darrieus 10 MW vertical axis wind turbine (VAWT). The platform is moored with highly pretensioned wire rope tendons. The responses of the platform are analyzed in the time domain in a semi-coupled manner under the turbine operating and parked conditions for an offshore site in the US Northeast. The tower base shear forces and bending moments increase considerably with the combination of wind and waves, compared to those with wind only. The tendon tensions on the weatherside in the operating condition at high wind speeds are comparable to the values of the 50-year extreme (parked). The tendon tension increases are highly correlated to the platform pitch, as well as the horizontal and vertical velocities and vertical acceleration at the tendon porch. The modular platform performances and tendon designs are confirmed to comply with industry standards and practices.

Boo, Sung Youn↗

High-Frequency Gravitational Wave Search with ABRACADABRA-10 cm

ABRACADABRA-10 cm has had great success as a pathfinder lumped-element axion dark matter experiment, setting limits on axion dark matter at the GUT scale. Now, using the interaction of gravitational waves with electrodynamics and a change in readout strategy, we use the ABRA-10 cm detector for the first search for high-frequency gravitational waves using a modified axion detector. Potential sources at these high frequencies (10 kHz to 5 MHz) include merging primordial black hole binaries or superradiance, among other beyond the standard model phenomena. This paper presents the design, results, and challenges from the ABRA-10 cm high-frequency gravitational wave search, showing it is possible to simultaneously look for axions and high-frequency gravitational waves with both searches matching theoretical expectations for sensitivity. Additionally, we conducted the first time series transient search with data from an axion experiment, achieving sensitivity to $10^{-4}$ in strain. Scaled directly to the next generation axion experiment, DMRadio-GUT, this sensitivity would imply a reach to 0.01 $M_{\odot}$ primordial black hole mergers at distances around 3 pc, with prospects to go significantly further with modifications to the readout.

Pappas, Kaliroë M.W. [MIT, LNS] (ORCID:00000003425↗

Solar Resource Measurements in Eugene, OR: Cooperative Research and Development Final Report, CRADA Number CRD-07-00252

Site-specific, long-term, continuous, and high-resolution measurements of solar irradiance are important for developing renewable resource data. These data are used for several research and development activities consistent with the NLR mission: establish a national 3-year climatological database of measured solar irradiances; provide high quality ground-truth data for satellite remote sensing validation; support development of radiative transfer models for estimating solar irradiance from available meteorological observations; provide solar resource information needed for technology deployment and operations. Data acquired under this agreement will be available to the public through NLR's Measurement & Instrumentation Data Center – MIDC (http://www.nlr.gov/midc) Or the Renewable Resource Data Center - RReDC (http://rredc.nlr.gov). The MIDC offers a variety of standard data display, access, and analysis tools designed to address the needs of a wide user audience (e.g., industry, academia, and government interests).

14 SOLAR ENERGY↗

Competitiveness Improvement Project Informational Workshop

The National Renewable Energy Laboratory (NREL) is hosted an in-person workshop and webinar for the distributed wind Competitiveness Improvement Project (CIP) on Tuesday, December 17, 2019, at NREL's Flatirons Campus. The CIP is a periodic solicitation issued by NREL on behalf of the U.S. Department of Energy's Wind Energy Technologies Office. Through a competitive process, component suppliers and manufacturers of small- to medium-sized wind turbine technology are awarded cost-shared subcontracts to optimize their designs, develop advanced manufacturing processes, and perform turbine testing. The CIP aims to make wind energy cost competitive with other distributed generation technologies and increase the number of wind turbine designs certified to national performance and safety standards.

17 WIND ENERGY↗

Using Meteorological Data to Evaluate Worldwide PV Degradation Rates

Here we automate the process to enable the creation of world maps for specific PV durability metrics. The end goal is to create a tool for the creation of world maps predicting the sensitivity of modules to degradation to inform the development and utilization of module testing standards and to provide information to module designers. TMY (Typical Meteorological Year) Data was aggregated from sites around the world to render insight into factors contributing to the degradation of solar modules. The focus of aggregating data was to create a single dataset to work with utilizing Solar Irradiance values combined with Ambient Temperature, Relative Humidity, Wind Speed and Dew-Point Temperature.

14 SOLAR ENERGY↗

Combustion characteristics and detailed simulations of surrogates for a Tier II gasoline certification fuel

An experimental and numerical study of combustion of a gasoline certification fuel (‘indolene’), and four (S4) and five (S5) component surrogates for it, is reported for the configurations of an isolated droplet burning with near spherical symmetry in the standard atmosphere, and a single cylinder engine designed for advanced compression ignition of pre-vaporized fuel. The intent was to compare performance of the surrogate for these different combustion configurations and to assess the broader applicability of the kinetic mechanism and property database for the simulations. A kinetic mechanism comprised of 297 species and 16797 reactions was used in the simulations that included soot chemistry and accounted for unsteady transport, liquid diffusion inside the droplet, radiative heat transfer, and variable properties. The droplet data showed a clear preference for the S5 surrogate in terms of burning rate. The simulations showed generally very good agreement with measured droplet, flame, and soot shell diameters. Measurements of combustion timing, in-cylinder pressure, and mass-averaged gas temperature were also well predicted with a slight preference for the S5 surrogate. Preferential vaporization was not evidenced from the evolution of droplet diameter but was clearly revealed in simulations of the evolution of mixture fractions inside the droplets. The influence of initial droplet diameter (Do) on droplet burning was strong, with S5 burning rates decreasing with increasing Do due to increasing radiation losses from the flame. Flame extinction was predicted for Do =3.0 mm as a radiative loss mechanism but not predicted for smaller Do for the conditions of the simulations.

Guo, Songtao↗