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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 1,117 records · Page 62

Longitudinal Changes in Immune Activation Serum Biomarkers Prior to Diagnosis and Risk of B-cell NHL Subtypes

To examine the contribution of B-cell activation molecules to B-cell follicular lymphoma (FL) and diffuse large B-cell lymphoma (DLBCL), a prospective study was conducted using pre-diagnosis serial serum samples from the US Department of Defense Serum Repository. Each case (n = 142 FL, n = 211 DLBCL) was matched to two controls on age, gender, race, military branch, and blood collection dates. Immune activation molecules (IL1β, IL2, IL4, IL5, IL6, IL10, IL12, CXCL13, IL8, TNFα, IFNγ, GM-CSF, VEGF, sCD30, IgE) were quantified using ELISA or multiplex immunometric (Luminex) assay. Longitudinal data were analyzed using linear mixed modeling. As serial specimens were collected over several years before diagnosis, we evaluated the temporal dynamics of these markers. Increased serum levels of sCD30, CXCL13, and to a lesser extent IL10, were associated with both FL and DLBCL in cases compared with controls, with a median follow-up of 5.5 years from the earliest specimen collection to diagnosis date. Significant increasing sCD30 and CXCL13 trajectories for FL and DLBCL subtypes were noted starting at the earliest time points and with IL10 levels increasing significantly at time points closer to diagnosis. In conclusion, these results suggest that sCD30, CXCL13, and IL10 may contribute to the etiology of FL and DLBCL and are potential biomarkers for these non–Hodgkin lymphoma subtypes. The increasing trajectories of the B-cell activation molecules, sCD30, CXCL13, and to a lesser extent IL10, may indicate early disease-induced effects or reflect the chronic stimulation of B-cells that promotes the development of FL and DLBCL subtypes.

60 APPLIED LIFE SCIENCES↗

Does Titan have an ocean? A review of current understanding of Titan's surface

An attempt is made to provide a balanced perspective regarding the knowledge of Titan's surface and how well current models address the various sets of data. Topics discussed include the Voyager data that led to the notion of a massive, global-scale hydrocarbon ocean; recent data sets including radar, radiometry, and NIR photometry that bear on the nature of the surface. Attention is also given to models of the surface that attempt to fit all of the constraints; and the Cassini investigations of Titan's surface. The surface and regolith of Titan are considered to be most likely a repository of liquid methane, other hydrocarbons, and dissolved nitrogen.

Lunine, Jonathan I.↗

SFCOMPO Database of Spent Nuclear Fuel Assay Data – the Next Frontier

SFCOMPO is the world’s largest database for measured spent nuclear fuel assay data. An international effort coordinated by the Nuclear Energy Agency (NEA) resulted in a significant expansion of the database and its release online in 2017 as a downloadable application. The SFCOMPO Technical Review Group (TRG) was recently formed under the direction of NEA’s Nuclear Science Committee/Working Party on Nuclear Criticality Safety and was mandated to maintain and further coordinate the development of SFCOMPO. This TRG is currently focused on (1) critical evaluation of the experimental assay data by independent experts and (2) development of benchmarks and benchmark models that can be applied to validate burnup codes. This will improve the quality and documentation of the experimental datasets and enable their use by the international community to support code validation for design and safety analysis of spent nuclear fuel transportation, storage, and repository applications. It follows the precedent and draws on the experience gained from similar NEA efforts in the International Reactor Physics Experiment Evaluation Project and the International Criticality Safety Benchmark Experiment Project. Ongoing SFCOMPO evaluations have served as a test bed to develop templates for documenting evaluations, develop review guidance, improve approaches for a global uncertainty analysis, and devise a strategy focused on providing practical information of highest value to the user community. The current effort, status, and associated challenges are discussed.

Ilas, Germina↗

Smart Spectral Matching (SSM)

Smart Spectral Matching (SSM) catalogs spectroscopic data and, within the platform, investigates subtle attributes of spectral signatures from Raman and infrared spectroscopic data and enables statistical identification of connections between underlying structural units and spectroscopic information, particularly in fuel cycle materials that are amorphous or a mixture of several phases. Catalogs spectroscopic data, provides UIs for machine learning training either via JupyterHub for notebooks or domain scientist-specific views, machine learning and catalog REST API Python client libraries, and ability to identify features in files uploaded using pre-trained machine learning models. This is a "service-based" architecture with multiple applications represented by each repository in the group https://github.com/smart-spectral-matching

McDonnell, Marshall [Oak Ridge National Lab. (ORNL↗

kynema-fmb [SWR-23-07]

Kynema-FMB (FKA: Kynema) is an open-source performance portable flexible multibody (FMB) dynamics solver designed for time-domain simulations. While originally tailored for wind turbine structural dynamics, the formulation and implementation are those of a general flexible-multidbody dynamics solver that can readily be applied to a wide range of systems. Kynema was designed with a narrow focus, namely to provide a lightweight, fast, accurate FMD solver for coupling to computational-fluid-dynamics (CFD) codes, especially the CFD codes in the Kynema suite, for fluid-structure-interaction (FSI) simulations. Kynema-FMB is equipped to model systems that can be represented as a collection of beams and rigid bodies that are connected through constraints. Degrees of freedom are defined in the inertial/global frame of reference and include displacements and rotations (formally as rotation matrices, but stored as quaternions). The underlying formulation is built on a Lie-group time integrator designed for index-3 differential-algebraic equations, which is second-order accurate in time (Bruls et al., 2012). Beam models are based on geometrically exact beam theory and are discretized as high-order spectral finite elements similar to those in BeamDyn (Wang et al., 2017). The governing equations for a FMD system like a wind turbine constitute a highly nonlinear system of constrained partial-differential equations. Kynema-FMB uses analytical Jacobians in the nonlinear-system solves in each time step. Linear systems use sparse storage and several third-party sparse-linear-system solvers are enabled. Ill conditioning of linear systems is mitigated with preconditioning described in Bottasso et al, 2008. Kynema-FMB is integrated with a simple open-source controller (ROSCO). There is an application programming interface (API) for coupling to geometry-resolved CFD (like that in Sharma et al., 2023) and actuator-force CFD (like that in Kuhn et al., 2025). In the latter, for actuator-line models, Kynema-FMB includes an internal blade-element solver that depends on user-provided lookup tables for coefficients of lift and drag, i.e., aerodynamic polars. Kynema-FMB is written in C++ and leverages Kokkos and Kokkos-Kernels (KokkosEcosystem) as its performance portability layer enabling simulations on both CPU and GPU systems. The repository is equipped with extensive automated testing at the unit and regression/system levels. The following describes the high-level development objectives conceived for Kynema: *Kynema will follow modern software development best practices, including test-driven development (TDD), version control, hierarchical automated testing, and continuous integration (CI) for a robust development environment. *The core data structures are memory efficient and enable vectorization and parallelization at multiple levels. *Data structures are data-oriented to exploit methods for accelerated computing including high utilization of chip resources (e.g., single instruction multiple data (SIMD) instruction sets) and parallelization using GP-GPUs. *The computational algorithms incorporate robust open-source libraries for mathematical operations, resource allocation, and data management. *The API design considers multiple stakeholder needs and ensure integration with existing and future ecosystems for data science, machine learning, and AI. *Kynema-FMB is written in modern C++ and leverages Kokkos as its performance-portability library with inspiration from the kynema stack.

Sprague, MichaelA.↗

FrESCO: Framework for Exploring Scalable Computational Oncology

The National Cancer Institute (NCI) monitors population level cancer trends as part of its Surveillance, Epidemiology, and End Results (SEER) program. This program consists of state or regional level cancer registries which collect, analyze, and annotate cancer pathology reports. From these annotated pathology reports, each individual registry aggregates cancer phenotype information from electronic health records. This data is then used to create summary statistics about cancer incidence and mortality to facilitate population health monitoring. Extracting phenotypic information from these reports is a labor intensive task, requiring specialized knowledge about the reports and cancer. Automating the information extraction process from cancer pathology reports has the potential to improve data quality by extracting information in a consistent manner across registries. It can also improve patient outcomes by reducing the time from diagnosis, enabling rapid case ascertainment for clinical trials. Here we present FrESCO, a modular deep-learning natural language processing (NLP) library initially designed for extracting pathology information from clinical text documents. This repository is not solely limited to clinical medical text, but may also be used by researchers just getting started with NLP methods and those looking for a robust solution for their classification problems.

60 APPLIED LIFE SCIENCES↗

LABS: Los Alamos Benchmark Suite - Current status and planning [Slides]

The LABS repository now has over 500 verified and revised input files with about 600 input files left to get up to speed with what we currently use. After that there are many, many more to go. We're in the process of building code infrastructure, moving to template output files, automating input file generation, outputting file data mining for calculation results, and benchmarking selection on sensitivity and other benchmark characteristics. We intend to open source LABS. We'll most likely release the input files sooner rather than later. The associated tool will probably be open sourced later.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Kamodo – An Adaptable Tool to Obtain and Compare Observations and Modeling Results

What is Kamodo? -Official NASA open-source project written in Python. -Building upon the functionalization of datasets. -It is a CCMC developed and maintained software tool for access, interpolation, and visualization of space weather models and data. -It allows model developers to represent simulation results as mathematical functions which may be manipulated directly by end users. -It handles unit conversion transparency and supports interactive science discovery through jupyter notebooks with minimal coding. -All Kamodo tools are accessible through Python, and all source code is publicly available on the Kamodo NASA GitHub repositories. -Kamodo does not generate model outputs. Users need to acquire the desired model outputs before they can be functionalized by Kamodo.

Kamodo↗

Enhancing NASA Earth Science Data Discovery from Scientific Publications

Earth observations from space borne instruments have evolved explosively in the past decades. Following closely are reanalysis systems assimilating model and observational data, yielding even longer records and larger number of variables. Thanks to advances in internet technology, it is now easier than ever to visualize and analyze these data using web interfaces. On the other hand, it also becomes an increasingly daunting task to build upon the existing knowledge published in various peer reviewed sources, and navigate toward the most relevant data, analysis, and visualization. We present an analysis of a subset of publications that utilized a popular visualization web interface at the NASA Goddard Earth Science Data and Information Services Center. Known as "Giovanni", it allows researchers from wide backgrounds to work with hundreds of variables from space observations and assimilation systems. Since coming online more than a decade ago, Giovanni has been credited in more than 100 papers per year, and the total count now is estimated to be nearly 1,500. Many of these papers contain valuable information about when, where and how Giovanni has been used, and hence forge an opportunity to learn and share the knowledge of which variables were used for what research projects. The purpose of our work is to retrieve the information from the papers and organize it as a knowledge repository which links together datasets, variables, places, dates and phenomena all of which reflect the essence of the published research. Since the publications are unstructured texts, we use natural language processing along with machine learning methods in the retrieval process. One of the challenges is deciphering the dataset names, because in many cases researchers refer to variables, rather than the datasets containing them. To constrain the number of terms, we deploy Earth Science ontologies as dictionaries for the term extraction. We demonstrate that storing these terms and underlying ontologies, along with datasets, variables and papers in the knowledge graph database, enables various linkages between all these entities facilitating the data discovery. Thus, we are setting a qualitatively new stage in improvements of web data interfaces, where machine learning techniques are used to establish and optimize usage-based discovery of data.

Irina V Gerasimov↗

An Integrated Multiscale Experimental-Numerical Analysis on Reconsolidation of Salt-Clay Mixture for Disposal of Heat-Generating Waste (Final NEUP Technical Report)

The overall purpose of this research is to improve understanding of THMC coupling effect on the reconsolidation of granular (or crushed) salt-clay mixture used for seal systems of shafts and drifts in salt repositories. This proposed work is partially motivated by the recent work on the Waste Isolation Pilot Plant (WIPP) that shows the promising sealing capability of clay-salt mixture compared to crushed salt. In particular, primary emphasis is to develop a fully integrated multiscale experiment-numerical study to determine and explain what leads to the superior sealing ability of the clay-salt mixture. These research activities are designed to seek further understanding of (1) why clay additives may enhance the fluid trapping and (2) whether this flow barrier effect may prevail under different combinations of temperature, confining pressure, deviatoric stress and other foreseeable environmental factors. If successful, this enhanced flow trapping ability of the seal provides significant improvement to the seal and repository performance and therefore make the repository safer in the long-term. The experiment component includes microstructural investigation and macroscopic tests on a reconsolidated salt-clay mixture. In the microstructural study, the goal is to (1) characterize microscopic distributions of distinct phases (e.g., clay, salt crystal boundaries, trapped brine, and pore) to examine the connectivity of the pore network inside the salt-clay mixture with different amounts of clay additive and moisture content and (2) analyze multiscale imaging data to reconstruct the polycrystalline microstructures for numerical simulations. Meanwhile, macroscopic tests are performed to analyze how clay alters the failure/creep mechanisms in the salt-clay mixture. Microscopic and macroscopic experimental observations will both be used to calibrate and validate a multiscale model that explicitly simulates the capillary and multiphase flow in the connected pores and the deformation due to the presence of intra-crystalline brine at the pore scale via a new polyhedral discrete element–lattice Boltzmann method (DEM-LBM) coupling model. The pore-scale simulations are homogenized via an upscaling procedure that converts pore-scale information (e.g. force exerted on grain boundary, sliding, pressure-solution) to continuum measures (e.g. Cauchy stress, Darcy’s flow) at each integration point in the macroscopic multiphase TMHC model. This multiscale scheme will allow coupling be- tween high-fidelity simulations of brine-salt-clay interaction and the macroscopic TMHC model. The multiscale model helps the understanding of how the trapped brine inclusion affects the pressure-solution mechanism with the presence of clay and moisture. This work brings new insight into the sealing capacity of salt-clay mixture under elevated temperature over a long period of time - a key to evaluating the potential of salt-clay mixture usage for salt repositories.

42 ENGINEERING↗

LCA-PyTorch

LCA-PyTorch is a code repository which contains PyTorch implementations of the Locally Competitive Algorithm (LCA), which is a biologically-plausible sparse coding model. LCA-PyTorch allows for the training, testing, and analysis of single layer LCA networks, multi-layer LCA networks, and hybrid LCA-based deep neural network models on a wide variety of applications and data types. LCA-PyTorch was developed in Python, a high-level programming language that takes advantage of the Python ecosystem of high-quality open-source packages for machine learning. LCA-PyTorch interfaces heavily with the open-source PyTorch Python package.

Teti, Michael↗

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↗

Technology Development for Dry Storage of Aluminum-Clad Spent Nuclear Fuel - 20490

A candidate disposition pathway for the > 13 MTHM of aluminum-clad spent nuclear fuel (ASNF), owned and managed by the U.S. Department of Energy, is the drying and placement of the SNF into sealed-canister dry storage, with the ASNF-in- canisters 'road-ready' for transportation to and final direct disposal in a repository waste package. Technical information gaps in fuel drying, and fuel dry storage behavior, have previously challenged the declaration of technology readiness for drying and placement of this fuel into the DOE Standard Canister design for > 50 years of safe dry storage. The principal technical information gaps included: i) characterization and thermal dehydration behavior of aluminum (oxy)hydroxide films attendant on the cladding due to film formation during reactor operation and during post-discharge up to long-term wet storage histories; and ii) G-value data to enable estimation of the radiolytic gas generation from the cladding with its (oxy)hydroxide films. Thus, the oxide films on the ASNF challenged the safety of a sealed storage canister with thermal and radiolytic decomposition of the waters on the films that can lead to corrosion, pressurization, and flammability issues. These gaps in the technical information base have largely been closed. This paper discusses the investigations at the Idaho National Laboratory (INL) and the Savannah River National laboratory (SRNL), and outlines the pending technology development work for input to an engineering design to enable a road-ready dry storage system for ASNF. The ASNF inventory considered for road-ready dry storage is stored at the Savannah River Site (SRS) and at the Idaho Nuclear Technology and Engineering Center (INTEC) at the INL. The ASNF inventory in the SRS L Basin is from foreign and domestic research reactors (FRR and DRR), and is diverse in terms of design, irradiation, and post-reactor-discharge storage conditions; these factors yield a range of characteristics of cladding oxide films on ASNF. Mixed aluminum (oxy)hydroxide (boehmite and bayerite/gibbsite) films, non-uniform in thicknesses up to a maximum local thickness bounded by 25 μm, were observed on ASNF materials removed from wet storage in the L Basin and in non-sealed dry storage at the SRS following reactor service and a long-term (up to 40+ years) interim storage history. The ASNF inventory at INTEC, in both wet and vented dry storage, is predominantly from the Advanced Test Reactor (ATR), but it also includes DRR and FRR fuel. To address a profound behavior of these films, radiolysis testing of aluminum specimens with mixed type boehmite/bayerite oxide films was performed to develop basic data on G-values for production of radiolytic hydrogen under dry storage conditions with nominal relative humidity, temperature, and cover gas. Modeling and simulation of canister internal environments with postulated inventories of oxide films provides estimation of the evolution of the conditions of the canister loaded with ASNF. Simultaneous Thermal Analysis (TGA/DSC) of hydrated oxide powders, and laboratory-scale aluminum specimens with a bayerite film (∼10 μm) using TGA methods, inform drying time/temperature conditions to be used for the ASNF. A demonstration project is recommended for Verification and Validation of the drying and storage of the ASNF. Remaining major tasks leading up to the hot demonstration include scale-up radiolysis testing and scale-up drying testing. Engineering design with the information from the technology program will establish the safety basis and enable long-term (> 50 years) dry storage compatibility with ASNF in the DOE Standard Canister pending its transportation to and disposal in a repository. This full capability would show the ASNF-in-canister storage system to be road-ready. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

MODAQ 2.0 (Modular Ocean Data AcQuisition System v2.0) [SWR-24-138]

MODAQ 2.0 is the continuation of the Modular Ocean/Offshore Data AcQuisition system which offers new benefits of being based on generally available hardware and open-source development tools. The MODAQ 2.0 project is the amalgamation of ROS packages, tools, and guidance for developing data acquisition and control applications for marine energy devices using a ROS2 based architecture. The MODAQ 2.0 Reference Design includes several packages that are targeted for the marine energy sector and allow most developers with a basic background in programming to spin up a high-quality DAQ and control system. It is comprised of multiple software repositories which can be found at the MODAQ2 GitHub Organization: https://github.com/NREL-MODAQ2

Nichols, Casey↗

R -matrix analysis of n + nat Cl reactions up to 1.2 MeV

The R -matrix analysis of neutron-induced reactions for two stable chlorine isotopes ( 35 Cl and 37 Cl) was performed in the energy range of thermal up to 1.2 MeV. Starting from the repository of the ENDF/B-VIII.0 library and following recent measurement series, this work represents a significant improvement, particularly in the evaluation of the ( n , p ) reaction channel. The evaluation methodology used the R -matrix code SAMMY to generate a set of Reich–Moore resonance parameters for both stable chlorine isotopes. Consistent with recently measured 35 Cl( n , p ) data, the presented evaluation features a dramatic increase in the magnitude of the ( n , p ) reaction channel over the ENDF/B-VIII.1 nuclear data library and previous ENDF/B libraries.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Reuse: A knowledge-based approach

This paper describes our research in automating the reuse process through the use of application domain models. Application domain models are explicit formal representations of the application knowledge necessary to understand, specify, and generate application programs. Furthermore, they provide a unified repository for the operational structure, rules, policies, and constraints of a specific application area. In our approach, domain models are expressed in terms of a transaction-based meta-modeling language. This paper has described in detail the creation and maintenance of hierarchical structures. These structures are created through a process that includes reverse engineering of data models with supplementary enhancement from application experts. Source code is also reverse engineered but is not a major source of domain model instantiation at this time. In the second phase of the software synthesis process, program specifications are interactively synthesized from an instantiated domain model. These specifications are currently integrated into a manual programming process but will eventually be used to derive executable code with mechanically assisted transformations. This research is performed within the context of programming-in-the-large types of systems. Although our goals are ambitious, we are implementing the synthesis system in an incremental manner through which we can realize tangible results. The client/server architecture is capable of supporting 16 simultaneous X/Motif users and tens of thousands of attributes and classes. Domain models have been partially synthesized from five different application areas. As additional domain models are synthesized and additional knowledge is gathered, we will inevitably add to and modify our representation. However, our current experience indicates that it will scale and expand to meet our modeling needs.

Iscoe, Neil↗

Kernel methods for evolution of generalized parton distributions

Generalized parton distributions (GPDs) characterize the 3-dimensional structure of hadrons, combining information about their internal quark and gluon longitudinal momentum distributions and transverse position within the hadron. The dependence of GPDs on the factorization scale Q 2 allows one to connect hard exclusive processes involving GPDs at disparate energy and momentum scales, which is needed in global analyses of experimental data. Here, in this work, we explore how finite element methods can be used to construct fast and differentiable Q 2 evolution codes for GPDs in momentum space, which can be used in a machine learning framework. We show numerical benchmarks of the methods' accuracy, including a comparison to an existing evolution code from PARTONS/APFEL++, and provide a repository where the code can be accessed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Analytical capabilities for iodine detection: Review of possibilities for different applications

This Review summarizes a range of analytical techniques that can be used to detect, quantify, and/or distinguish between isotopes of iodine (e.g., long-lived 129 I, short-lived 131 I, stable 127 I). One reason this is of interest is that understanding potential radioiodine release from nuclear processes is crucial to prevent environmental contamination and to protect human health as it can incorporate into the thyroid leading to cancer. It is also of interest for evaluating iodine retention performances of next-generation iodine off-gas capture materials and long-term waste forms for immobilizing radioiodine for disposal in geologic repositories. Depending upon the form of iodine (e.g., molecules, elemental, and ionic) and the matter state (i.e., solid, liquid, and gaseous), the available options can vary. In addition, several other key parameters vary between the methods discussed herein, including the destructive vs nondestructive nature of the measurement process (including in situ vs ex situ measurement options), the analytical data collection times, and the amount of sample required for analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗