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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 739 records · Page 41

Effect of calcite filler on carbonation behavior in a synthesized C‐S‐H binder

Widespread implementation of portland limestone cements (PLC) in industry has raised new questions about their carbonation resistance due to higher initial limestone content than ordinary portland cement. While carbonation of portland cement and each of its hydrate phases has been studied at a fundamental level, the integral role of how limestone fillers interact chemically or physically during carbonation necessitates further study. In this study, a C-S-H binder comprised of a highly reactive zeolite pozzolan and lime was used to evaluate the effect of varying calcite additions on carbonation behavior at a microstructural level. Fundamental insight into hydration kinetics and carbonation mechanisms of hydraulic binders was obtained via analysis of the C-S-H and calcite microstructure. X-ray microcomputed tomography (X-ray CT) was used to quantify microstructural changes, and the results showed a decrease in shrinkage for increased calcite dosages, with a ∼50% reduction observed for a 45% wt. calcite replacement level. Crystallographic and thermal analyses measured compositional changes in the binder and confirmed that shrinkage was related to the decalcification of C-S-H. Furthermore, the addition of calcite to the C-S-H binder effectively reduced the liquid-to-solid ratio, porosity, and amount of C-S-H present in these binders. Ultimately, these results help elucidate how the carbonation risks of PLC can be mitigated by proportioning the mixture water only to the reactive component of the binder.

C-S-H↗

The use of subchondral bone topography to approximate the center of rotation of the elbow joint in dogs

Abstract Objectives The aim of this study was to compare the approximate center of rotation in normal and diseased elbows in dogs. Study design Cross‐sectional study Sample population Computer tomography scans of nine dogs with unilateral fragmented medial coronoid process (FMCP). Methods A board certified radiologist confirmed that each dog had unilateral FMCP, and a normal contralateral elbow. Digital 3D models of all elbow joints were uploaded into a surgical planning software package. Four axes approximating the center of rotation (COR) of elbow joints were generated using five geometric shapes based on subchondral topography of the humeral condyle radius and ulna. Images showing the locations where axes exited the medial and lateral cortex of the humeral condyle were captured and imported into a second software package, for measurement of distances between exit points and the origin of a system of axes. Results In normal joints 20/27 (74%) axes exited the medial cortex, and 25/27 (93%) axes exited the lateral cortex cranial and distal to the medial and lateral epicondyles, respectively. In diseased joints 22/27 (81%) axes exited medial cortex and 19/27 (70%) axes exited the lateral cortex, caudal and distal to the medial and lateral epicondyles, respectively. Conclusion Based on CT‐ derived geometry, the COR of elbow affected with FMCP was generally more caudal than normal. Clinical significance External landmarks approximating the location of the elbow COR are provided, and while not validated, may assist in planning, creation, and assessment of procedures for FMCP.

Berger, Chen↗

Evaluation of Common Thermoplastic Polymers in High-Pressure Cycling Hydrogen Under Ambient and Cold Environments as Applicable to the Hydrogen Infrastructure

Thermoplastic polymers are required to perform unfailingly under stringent conditions of changing pressures (35 MPa to 70 MPa) and temperatures (-40°C to +85°C) in storage and fueling operations. Although diffusivity in glassy polymers appear to be an order of magnitude lower than elastomers, polymer microstructural attributes such as degree of crystallinity and presence of polar and non-polar groups on the main chain with and without branching can play a substantial role in influencing their behaviors in hydrogen environments. In the work described here, the effect of high-pressure hydrogen cycling on PEEK, PTFE, PA11, HDPE, POM (and different commercial grades of these polymers) under ambient and cold (-40°C) conditions is addressed. Ex-situ characterization for polymer changes included density measurements for impact of hydrogen retention, hardness changes using nanoindentation, storage modulus and glass transition changes using dynamic mechanical and thermal analysis (DMTA), degree of crystallization with Differential Scanning Calorimetry (DSC) and tensile testing following ASTM D412. In other evaluations, solid-state nuclear magnetic resonance (NMR), attenuated total reflectance Fourier transform infra-red spectroscopy (ATRFTIR), X-ray diffraction (XRD), and X-ray CT results are presented. The overall impact of these evaluations is to establish a technical basis for the behaviors of common thermoplastics in cycling hydrogen environments under ambient and cold temperatures while establishing the relationship between polymer structure-based properties and hydrogen transport effects.

Menon, Nalini C.↗

Visualizing energy transfer between redox-active colloids

Redox-active colloids (RACs) represent a novel class of energy carriers that exchange electrical energy upon contact. Understanding contact-mediated electron transfer dynamics in RACs offers insights into physical contact events in colloidal suspensions and enables quantification of electrical energy transport in nonconjugated polymers. Redox-based electron transport was directly observed in monolayers of micron-sized RACs containing ethyl-viologen side groups via fluorescence microscopy through an unexpected nonlinear electrofluorochromism that is quantitatively coupled to the redox state of the colloid. Via imaging studies, using this electrofluorochromism, the apparent charge transfer diffusion coefficient D CT of the RAC was easily determined. The visualization of energy transport within suspensions of redox-active colloids was also demonstrated. Our work elucidates fundamental mechanisms of energy transport in colloidal systems, informs the development of next-generation redox flow batteries, and may inspire new designs of smart active soft matter including conductive polymers for applications ranging from electrochemical sensors and organic electronics to colloidal robotics.

Qu, Alan Subing [Univ. of Illinois at Urbana-Champ↗

Lung cancer mortality among construction workers: implications for early detection

Objectives This study examined predictors of lung cancer mortality, beyond age and smoking, among construction workers employed at US Department of Energy (DOE) sites to better define eligibility for low-dose CT (LDCT) lung cancer screening. Methods Predictive models were based on 17 069 workers and 352 lung cancer deaths. Risk factors included age, gender, race/ethnicity, cigarette smoking, years of trade or DOE work, body mass index (BMI), chest X-ray results, spirometry results, respiratory symptoms, beryllium sensitisation and personal history of cancer. Competing risk Cox models were used to obtain HRs and to predict 5-year risks. Results Factors beyond age and smoking included in the final predictive model were chest X-ray changes, abnormal lung function, chronic obstructive pulmonary disease (COPD), respiratory symptoms, BMI, personal history of cancer and having worked 5 or more years at a DOE site or in construction. Risk-based LDCT eligibility demonstrated improved sensitivity, specificity and positive predictive value compared with current US Preventive Services Task Force guidelines. The risk of lung cancer death from 5 years of work in the construction industry or at a DOE site was comparable with the risk from a personal cancer history, a family history of cancer or a diagnosis of COPD. LDCT eligibility criteria used for DOE construction workers, which includes factors beyond age and smoking, identified 86% of participants who eventually would die from lung cancer compared with 51% based on age and smoking alone. Conclusions Results support inclusion of risk from occupational exposures and non-malignant respiratory clinical findings in LDCT clinical guidelines.

Public, Environmental & Occupational Health↗

Real-time High-resolution X-Ray Computed Tomography

Computed Tomography (CT) serves as a key imaging technology that relies on computationally intensive filtering and back-projection algorithms for 3D image reconstruction. While conventional high-resolution image reconstruction (> 2K3) solutions provide quick results, they typically treat reconstruction as an offline workload to be performed remotely on large-scale HPC systems. The growing demand for post-construction AI-driven analytics and the need for real-time adjustments call for high-resolution reconstruction solutions that are feasible on local computing resources, i.e. a multi-GPU server at most. In this paper, we propose a novel approach that utilizes Tensor Cores to optimize image reconstruction without sacrificing precision. We also introduce a framework designed to enable real-time execution of end-to-end distributed image reconstruction in a multi-GPU environment. Evaluations conducted on a single Nvidia A100 and H100 GPU show performance improvements of 1.91 × and 2.15 × compared to highly optimized production libraries. Furthermore, our framework, when deployed on 8-card Nvidia A100 GPU system, demonstrates the ability to reconstruct real-world datasets into 20483 volumes (32 GB) in slightly more than one minute and 40963 volumes (256 GB) in 7 minutes.

Wu, Du↗

Investigating Liquid Water Transport in Different Pore Structure of Gas Diffusion Layers for PEMFC Using Lattice Boltzmann Method

Proton exchange membrane fuel cells (PEMFC) require a gas diffusion layer (GDL) to aid in the transport of liquid fuel to the catalyst layer. In this work, direct modeling using the Lattice Boltzmann Method (LBM) was applied to X-ray CT scans of four different carbon gas diffusion layers to understand the mass transport properties through the samples. Three injection orientations were used to study local saturation levels, water evolution through the sample, and mass transport behavior at breakthrough conditions. The LBM, combined with computational fluid dynamic modeling techniques, can accurately predict liquid saturation at the macro and micro scale, which provides more insight into the mass transport phenomena through the GDL. The change of pore structure and orientation in both the in-plane and through-plane determines the path that liquid water must take, which could aid or impact PEMFC performance. The outcomes from this work will also benefit any research that needs knowledge of internal mass transport qualities of gas diffusion media.

Sepe, M.↗

Detection of a Cobalt-Containing Interphase at the Li 6 PS 5 Cl-NMC111 Interface by In Situ μ XANES and EIS

Sulfide electrolyte all-solid-state lithium batteries (ASLBs) with uncoated Li-Ni x Mn y Co 1–x–y O 2 (NMC) cathodes suffer from a large capacity loss during initial cycling and an increase in cell impedance. Decomposition reactions are known to occur at the Li 6 PS 5 Cl-NMC111 interface due to incompatibility between the two materials. If a stabilizing coating is applied to the NMC, it delivers full capacity during initial charge. However, the loss in capacity during discharge still occurs. The interface was studied by μ XANES and through EIS analysis. A chemically-formed interphase was detected by μ XANES, evident from reduction of Co at an uncoated NMC particle surface. This interphase was produced by decomposition at rest. To study the effect of the interphase on electrochemically active surface area, piecewise in situ EIS was performed and the data was modeled using a transmission line model (TLM). The charge transfer resistance R CT was used to estimate the volume specific active surface area (a act ). The median value for a act was 296 cm –1 , a factor of 7.5 lower than the theoretical value of 2216 cm –1 . This provided evidence of a lower electrochemically active surface area in the ASLB.

36 MATERIALS SCIENCE↗

On the Source of Conductivity in Alkaline Zn Anodes: Zn Percolation and ZnO Bridging

Alkaline Zn anodes are fundamental to commercial Zn-MnO 2 batteries as well as emerging rechargeable designs. In these electrodes, Zn particles are both the active material and source of electronic conduction. However, there are known cases in which electronic connectivity between Zn particles or the current collecting pin is lost even though the battery continues to function. Here we use X-ray computed tomography (CT) of AA batteries to demonstrate several examples of Zn particle-to-particle connectivity breakdown, which is observed even in cases at relatively high discharge rate. This indicates maintenance of the electronic network through the less-conductive ZnO discharge product. We introduce a new equation for electronic conductivity maintained through bridges of ZnO formed between percolating Zn particles. This necessitates discarding the Bruggeman correlation and instead redefining effective electronic conductivity using percolation theory. We demonstrate that such a model for conduction enables prediction of an inverted reaction zone, which is an experimentally observed case in which significant Zn dissolution and ZnO formation occurs heavily near the current collecting pin. Current computational Zn-MnO 2 models never predict an inverted reaction zone, and thus the updated conductivity enables models to accurately explain a wider range of experimental conditions.

Guida, Dominick P. [Northeastern Univ., Boston, MA↗

Simulation Environment For Radiotherapy Applications

SERA is a simulation environment for planning three-dimensional neutron capture therapy. SERA can allows creating models of the geometry of the tumor and surrounding tissue from CT or MRI data, and then planning and simulating the treatment of the tumor with Boron Neutron Capture Therapy. Boron Neutron Capture Therapy uses the combination of a boron containing drug and a neutron source to treat a tumor.

Cogliati, JoshuaJ. [Idaho National Laboratory (INL↗

TRINIDI (Time-of-Flight Resonance Imaging with Neutrons for Isotopic Density Inference)

This software is an open-source Python library that provides tools for processing hyperspectral neutron time-of-flight radiography data. This type of data allows material decomposed reconstructions to be generated with the use of material characteristic spectral responses and the algorithms provided in this code library. The software library will contain tools for pre-processing the neutron measurement data, estimating measurement system parameters, reconstructing material decomposed radiographs, and computing material decomposed computed tomography (CT). Furthermore, it will have capability to generate and process simulated neutron time-of-flight data with the goal of benchmarking and demonstrating the tools that are provided. The software will include thorough documentation and application examples.

Balke, Thilo↗

Livermore Computed Tomography Input/Output library

Read, write, and connect visualizers to data for LLNL radiography and CT tools (e.g. LTT: https://softwarelicensing.llnl.gov/product/livermore-tomography-tools-ltt).

Vardar-Irrgang, MichaelE [Lawrence Livermore Natio↗

Multiscale X-ray phase contrast imaging of human cartilage for investigating osteoarthritis formation

The evolution of cartilage degeneration is still not fully understood, partly due to its thinness, low radio-opacity and therefore lack of adequately resolving imaging techniques. X-ray phase-contrast imaging (X-PCI) offers increased sensitivity with respect to standard radiography and CT allowing an enhanced visibility of adjoining, low density structures with an almost histological image resolution. This study examined the feasibility of X-PCI for high-resolution (sub-) micrometer analysis of different stages in tissue degeneration of human cartilage samples and compare it to histology and transmission electron microscopy. Ten 10%-formalin preserved healthy and moderately degenerated osteochondral samples, post-mortem extracted from human knee joints, were examined using four different X-PCI tomographic set-ups using synchrotron radiation the European Synchrotron Radiation Facility (France) and the Swiss Light Source (Switzerland). Volumetric datasets were acquired with voxel sizes between 0.7 × 0.7 × 0.7 and 0.1 × 0.1 × 0.1 µm 3 . Data were reconstructed by a filtered back-projection algorithm, post-processed by ImageJ, the WEKA machine learning pixel classification tool and VGStudio max. For correlation, osteochondral samples were processed for histology and transmission electron microscopy. X-PCI provides a three-dimensional visualization of healthy and moderately degenerated cartilage samples down to a (sub-)cellular level with good correlation to histologic and transmission electron microscopy images. X-PCI is able to resolve the three layers and the architectural organization of cartilage including changes in chondrocyte cell morphology, chondrocyte subgroup distribution and (re-)organization as well as its subtle matrix structures. X-PCI captures comprehensive cartilage tissue transformation in its environment and might serve as a tissue-preserving, staining-free and volumetric virtual histology tool for examining and chronicling cartilage behavior in basic research/laboratory experiments of cartilage disease evolution.

3D analysis↗

Influence of gradation on failure mode of saturated sand at particle scale

Extensive research has been reported in the literature to characterize the failure mode of dry sand using various experimental techniques such as surface optical imaging, photo-elastic materials, three-dimensional (3D) computed tomography (CT), and 3D synchrotron micro-computed tomography (SMT). However, there is a limited literature about the behavior of saturated sand. This paper presents the results of axisymmetric triaxial compression (ATC) experiments that were conducted on saturated sand specimens. The behavior of specimens composed of a uniform sand with grain size between US sieves #40 and #50 is compared to specimens conducted on the same sand that has a wider gradation. 3D SMT technique was used to acquire 3D scans while shearing the specimens to probe localized events that are completely missed or misinterpreted when analyzing ATC measurements based on global standard measurements. The results show a higher effective principal stress ratio (EPSR) for the non-uniform specimen and a thicker shear band when compared to uniform specimen.

Elnur, Mohammed [University of Tennessee]↗

A Co-Registered In-Situ and Ex-Situ Dataset from an Electron Beam Powder Bed Fusion Additive Manufacturing Process (Peregrine v2023-09)

This release contains a co-registered in-situ and ex-situ Peregrine dataset from a single Arcam Q10 Electron Beam Powder Bed Fusion (EB-PBF) Inconel 738 build. These data were collected at the Manufacturing Demonstration Facility (MDF) located at Oak Ridge National Laboratory (ORNL). The dataset includes layer-wise Near Infrared (NIR) in-situ imaging data, in-situ temporal sensor data, ex-situ X-Ray Computed Tomography (X-CT) scans, and the target part geometries. Additionally, anomaly detections produced by a trained Dynamic Segmentation Convolutional Neural Network (DSCNN) are provided.

36 MATERIALS SCIENCE↗

A Co-Registered In-Situ and Ex-Situ Dataset from a Laser Powder Bed Fusion Additive Manufacturing Process (Peregrine v2023-10)

This release contains a co-registered in-situ and ex-situ Peregrine dataset from a single Concept Laser M2 Laser Powder Bed Fusion (L-PBF) stainless steel 316L build. These data were collected at the Manufacturing Demonstration Facility (MDF) located at Oak Ridge National Laboratory (ORNL). The dataset includes layer-wise visible-light in-situ imaging data, the laser scan paths and parameters, in-situ temporal sensor data, X-Ray Computed Tomography (X-CT) scans, pycnometry and tensile test results, etched micrographs from selected locations, and the target part geometries. Additionally, anomaly detections produced by a modified Dynamic Segmentation Convolutional Neural Network (DSCNN) are provided.

36 MATERIALS SCIENCE↗

X-ray Computed Tomography Data of Dense Metallic Components

The data shared in here are X-ray computed tomography (XCT) scans of a hexagonal fuel nozzle in 3 sections with the Metrotom 800 system at the Manufacturing Demonstration Facility (MDF) at Oak Ridge National Laboratory. The data are used in the paper "Tomographic Sparse View Selection using the View Covariance Loss, by Lin et al. (doi:10.1109/TPAMI.2025.36000720), accepted to the international conference on computational imaging (ICCP 2025). Figures 4-7 in the paper describe the part/XCT scan. File name Descriptions: Bottom section: TCR- Single Channeled SRC L 2019-3-18 12-26-41.hdf5 Medium section: TCR- Single Channeled SRC M 2019-3-18 13-8-9.hdf5 Top section: TCR- Single Channeled SRC T 2019-3-18 13-45-39.hdf5 Each hdf5 file contains projection data, and all the relevant X-ray CT scan setting. The full list of included attributes: distance_unit: Units of all distances specified angle_unit : Units of the angles angles: Array of all angles used voxel_size_xy: Baseline recon (if any) has this voxel size in the in-plane direction voxel_size_z: Baseline recon (if any) has this voxel size in the cross-plane direction det_pixel_size_col: Size of the detector pixels in the column dimension det_pixel_size_row: Size of the detector pixels in the row dimension src_iso_dist: Source to iso-center distance iso_det_dist: Iso-center to detector distance det_angle: If the detector is rotated/tilted, this angle corresponds to that value det_row_offset: Center of rotation offset in the vertical direction det_col_offset: Center of rotation offset in the horizontal direction reconstruction: A baseline reconstruction stored as 3D array BHC params: Beam-hardening parameters - Van De Casteel Model - if it has been used to pre-process the projections We also provided a python script (hdf_io.py) that allows the user to read the relevant data from each hdf5 file.

Ziabari, Amir [Oak Ridge National Laboratory]↗

Insights from a workplace SARS-CoV-2 specimen collection program, with genomes placed into global sequence phylogeny

In 2020, the Department of Energy established the National Virtual Biotechnology Laboratory (NVBL) to address key challenges associated with COVID-19. As part of that effort, Pacific Northwest National Laboratory (PNNL) established a capability to collect and analyze specimens from employees who self-reported symptoms consistent with the disease. During the spring and fall of 2021, 688 specimens were screened for SARS-CoV-2, with 64 (9.3%) testing positive using reverse-transcriptase quantitative PCR (RT-qPCR). Of these, 36 samples were released for research. All 36 positive samples released for research were sequenced and genotyped. Here, the relationship between patient age and viral load as measured by Ct values was measured and determined to be only weakly significant. Consensus sequences for each sample were placed into a global phylogeny and transmission dynamics were investigated, revealing that the closest relative for many samples was from outside of Washington state, indicating mixing of viral pools within geographic regions.

59 BASIC BIOLOGICAL SCIENCES↗