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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

A quantitative comparison of the fingerprint of twinned microstructures through surface and three-dimensional techniques

Assessing the fingerprint of a material’s microstructure is key for supporting materials design. With the emergence of a wide range of 3D characterization techniques, it is critical to understand the main differences in fingerprints reconstructed from 2D and 3D datasets. To this end, we introduce a graph-based microstructure reconstruction framework that enables structural comparisons of twin domain networks in high purity Ti using 3D and 2D electron backscatter diffraction. Insights into the structure of the twin networks are facilitated by combining statistical analysis of twin crystallography with visual and graphical analysis of the novel graph abstractions of the twins. We demonstrate that compared to 3D reconstructions, conventional 2D views of twinning miss key aspects of the microstructure including the high interconnectivity of domains into networks that span the full reconstruction volume. The reduced cross-grain and in-grain twin connectivity typically observed in 2D has notable implications on our understanding of how twinning mediates the plastic response of microstructures and how twin networks evolve. It is thus clear that 3D characterization is critical for accurately inferring both twin network morphologies as well as the key unit processes facilitating network formation.

36 MATERIALS SCIENCE↗
DOE OSTI2026

SolVap_StarTer (Solvent Evaporation Graphical User Interface) [SWR-26-029]

SolVap_StarTer is an open-source solvent evaporation GUI. The software combines previously published (peer-reviewed scientific journals) evaporation and crystallization physics into an easy-to-use graphical interface. The software will allow the user to specify a coating composition and drying environment, and then predict the evolution of the film as it dries. Potential applications include tracking the change in multi-solvent composition and solute concentration in solution-processed perovskites films, predicting the point of crystallization, and calculating equivalent processing parameters for transferring a process between different coating and drying methods. Github repo: https://github.com/NatLabRockies/SolVap Streamlit app: https://solvap.streamlit.app/

Starger, Jesse [National Laboratory of the Rockies↗
DOE OSTI2015

Pairwise Sequence Alignment Library

Vector extensions, such as SSE, have been part of the x86 CPU since the 1990s, with applications in graphics, signal processing, and scientific applications. Although many algorithms and applications can naturally benefit from automatic vectorization techniques, there are still many that are difficult to vectorize due to their dependence on irregular data structures, dense branch operations, or data dependencies. Sequence alignment, one of the most widely used operations in bioinformatics workflows, has a computational footprint that features complex data dependencies. The trend of widening vector registers adversely affects the state-of-the-art sequence alignment algorithm based on striped data layouts. Therefore, a novel SIMD implementation of a parallel scan-based sequence alignment algorithm that can better exploit wider SIMD units was implemented as part of the Parallel Sequence Alignment Library (parasail). Parasail features: Reference implementations of all known vectorized sequence alignment approaches. Implementations of Smith Waterman (SW), semi-global (SG), and Needleman Wunsch (NW) sequence alignment algorithms. Implementations across all modern CPU instruction sets including AVX2 and KNC. Language interfaces for C/C++ and Python.

Jeff Daily, PNNL↗
DOE OSTI2015

Pairwise Sequence Alignment Library

Vector extensions, such as SSE, have been part of the x86 CPU since the 1990s, with applications in graphics, signal processing, and scientific applications. Although many algorithms and applications can naturally benefit from automatic vectorization techniques, there are still many that are difficult to vectorize due to their dependence on irregular data structures, dense branch operations, or data dependencies. Sequence alignment, one of the most widely used operations in bioinformatics workflows, has a computational footprint that features complex data dependencies. The trend of widening vector registers adversely affects the state-of-the-art sequence alignment algorithm based on striped data layouts. Therefore, a novel SIMD implementation of a parallel scan-based sequence alignment algorithm that can better exploit wider SIMD units was implemented as part of the Parallel Sequence Alignment Library (parasail). Parasail features: Reference implementations of all known vectorized sequence alignment approaches. Implementations of Smith Waterman (SW), semi-global (SG), and Needleman Wunsch (NW) sequence alignment algorithms. Implementations across all modern CPU instruction sets including AVX2 and KNC. Language interfaces for C/C++ and Python.

Jeff Daily, PNNL↗
DOE OSTI2025

Speed Optimizations for Physics Ray Trace Algorithms

Ray tracing is a process used commonly in computer graphics and in physics to track light photons and particles, respectively. Much research was found on improving execution times for the computer graphics applications; however, in the short time frame of this literary review, almost no research was found on improving the execution times for the physics applications that were relevant to this problem. Two ray trace algorithms, a STL raytrace and a conebeam raytrace, were optimized using OpenMP and CUDA.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2012

Cotton fibers nano-TiO{sub 2} composites prepared by as-assembly process and the photocatalytic activities

Graphical abstract: Display Omitted Highlights: ► TiO{sub 2} nanoparticles self-assemble process under the assistant of carboxylic group. ► The carboxylic group was introduced by displacement reaction. ► The loading amount of nano-TiO{sub 2} was depended on the displacement degree of C-6-OH. ► UV–Vis experiments showed these fibers had efficient photocatalysis. ► The degradation reaction Rhodamine 6G under UV light obeys zero-order rate law. -- Abstract: This paper describes photocatalytic cotton fibers produced by a TiO{sub 2} nanoparticle self-assembly process with the assistance of carboxylic groups. The carboxylic group was introduced by a displacement reaction, the molecular structure of the glucose unit was studied by utilizing solid {sup 13}C NMR. The appearance of the prepared fibers was observed by scanning electron microscopy, it was found that nano-TiO{sub 2} coated uniformly on the fiber surface. The loading amount of nano-TiO{sub 2} was depended on the displacement degree of C-6-OH. UV–Vis experiments showed these coated fibers undergo photocatalysis efficiently. The degradation reaction of Rhodamine 6G under UV light obeys the zero-order rate law.

36 MATERIALS SCIENCE↗
DOE OSTI2016

On the Impact of Widening Vector Registers on Sequence Alignment

Vector extensions, such as SSE, have been part of the x86 since the 1990s, with applications in graphics, signal processing, and scientific applications. Although many algorithms and applications can naturally benefit from automatic vectorization techniques, there are still many that are difficult to vectorize due to their dependence on irregular data structures, dense branch operations, or data dependencies. Sequence alignment, one of the most widely used operations in bioinformatics workflows, has a computational footprint that features complex data dependencies. In this paper, we demonstrate that the trend of widening vector registers adversely affects the state-of-the-art sequence alignment algorithm based on striped data layouts. We present a practically efficient SIMD implementation of a parallel scan based sequence alignment algorithm that can better exploit wider SIMD units. We conduct comprehensive workload and use case analyses to characterize the relative behavior of the striped and scan approaches and identify the best choice of algorithm based on input length and SIMD width.

Needleman-Wunsch↗
DOE OSTI2013

Transformation of rutile to TiO{sub 2}-II in a high pressure hydrothermal environment

The high pressure transformation of rutile to TiO{sub 2}-II with the α-PbO{sub 2} structure is known to be kinetically hindered. In this study we show that a hydrothermal environment at 6 GPa and 650 °C provides appreciable rates for producing single phase bulk samples of TiO{sub 2}-II. So obtained TiO{sub 2}-II was characterized by scanning electron microscopy, powder X-ray diffraction, Raman and Far-IR spectroscopy. The structural properties are identical to TiO{sub 2}-II from dry transitions. Transmission electron microscopy studies strongly indicate that Ostwald ripening processes play an important role in the hydrothermally assisted transformation and subsequent growth of TiO{sub 2}-II crystals. TiO{sub 2}-II is thermally stable to about 550 °C. At 600 °C the onset of the transformation to rutile is observed. The thermal expansion in the temperature range from room temperature to 500 °C is highly anisotropic, virtually affecting only the c unit cell parameter (α{sub c}=7.1(2)×10{sup −6} °C{sup −1}). The pressure–temperature conditions for the hydrothermally assisted transformation of rutile are viable for industrial production settings, and in light of the large technological significance of TiO{sub 2}, TiO{sub 2}-II may present an interesting target for large-scale synthesis. - Graphical abstract: Highly crystalline TiO{sub 2}-II, which is the high pressure form of titania with the α-PbO{sub 2} structure, can be prepared from rutile at 6 GPa and 650 °C when employing a hydrothermal environment. Display Omitted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Rietveld refinement and dielectric relaxation of a new rare earth based double perovskite oxide: BaPrCoNbO{sub 6}

A new rare earth based double perovskite oxide barium praseodymium cobalt niobate, BaPrCoNbO{sub 6} (BPCN) is synthesized by solid-state reaction technique. Rietveld analysis of X-ray diffraction (XRD) data shows that the compound crystallizes in a perovskite like tetragonal structure which belongs to the I4/mmm space group with lattice parameters a=b=5.6828(9) Å, c=8.063(2) Å. Structural analysis reveals 1:1 ordered arrangement for the Co{sup 2+} and Nb{sup 5+} cations over the six-coordinate B-sites of BPCN. The superlattice line (1 0 1) at 2θ=19.10° arising from the alternate ordering of Co{sup 2+} and Nb{sup 5+} sites is observed in the XRD pattern which confirms the presence of cation ordering in BPCN. Fourier transform infrared spectrum shows two phonon modes of the sample due to the antisymmetric NbO{sub 6} stretching vibration. The relaxation dynamics of the conductive process in BPCN is investigated in the temperature range 303 to 503 K and in the frequency range 100 Hz to 1 MHz using impedance spectroscopy. The relaxation mechanism of the sample in the framework of electric modulus formalism is modeled by Davidson–Cole model (DCM). The values of α (distribution of relaxation time) for the DCM varies from 0.1 to 0.3 which suggests the asymmetric distribution of relaxation time for BPCN. The activation energy of the sample, calculated from both conductivity and modulus spectra, are found to be almost the same ∼0.4 eV, which indicates that the conduction mechanism for BPCN is polaron hopping. The scaling behaviour of the imaginary part of electric modulus suggests that the relaxation follows the same mechanism at various temperatures. - Graphical abstract: Rietveld refinement plot for BPCN. Inset shows the schematic presentation of the BPCN tetragonal unit cell. The Co{sup 2+} atoms are located at the centers of the CoO{sub 6} (blue) octahedra. The Nb{sup 5+} atoms are located at the centers of the NbO{sub 6} (green) octahedra. Display Omitted - Highlights: • BaPrCoNbO{sub 6} is synthesized for the first time. • Rietveld refinement of XRD data confirms tetragonal phase. • XRD confirms the presence of cation ordering in BaPrCoNbO{sub 6}. • The activation energy is ∼0.4 eV. • The conduction mechanism for BPCN is due to polaron hopping.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Combining prior day contours to improve automated prostate segmentation

Purpose: To improve the accuracy of automatically segmented prostate, rectum, and bladder contours required for online adaptive therapy. The contouring accuracy on the current image guidance [image guided radiation therapy (IGRT)] scan is improved by combining contours from earlier IGRT scans via the simultaneous truth and performance level estimation (STAPLE) algorithm. Methods: Six IGRT prostate patients treated with daily kilo-voltage (kV) cone-beam CT (CBCT) had their original plan CT and nine CBCTs contoured by the same physician. Three types of automated contours were produced for analysis. (1) Plan: By deformably registering the plan CT to each CBCT and then using the resulting deformation field to morph the plan contours to match the CBCT anatomy. (2) Previous: The contour set drawn by the physician on the previous day CBCT is similarly deformed to match the current CBCT anatomy. (3) STAPLE: The contours drawn by the physician, on each prior CBCT and the plan CT, are deformed to match the CBCT anatomy to produce multiple contour sets. These sets are combined using the STAPLE algorithm into one optimal set. Results: Compared to plan and previous, STAPLE improved the average Dice's coefficient (DC) with the original physician drawn CBCT contours to a DC as follows: Bladder: 0.81 {+-} 0.13, 0.91 {+-} 0.06, and 0.92 {+-} 0.06; Prostate: 0.75 {+-} 0.08, 0.82 {+-} 0.05, and 0.84 {+-} 0.05; and Rectum: 0.79 {+-} 0.06, 0.81 {+-} 0.06, and 0.85 {+-} 0.04, respectively. The STAPLE results are within intraobserver consistency, determined by the physician blindly recontouring a subset of CBCTs. Comparing plans recalculated using the physician and STAPLE contours showed an average disagreement less than 1% for prostate D98 and mean dose, and 5% and 3% for bladder and rectum mean dose, respectively. One scan takes an average of 19 s to contour. Using five scans plus STAPLE takes less than 110 s on a 288 core graphics processor unit. Conclusions: Combining the plan and all prior days via the STAPLE algorithm to produce treatment day contours is superior to the current standard of deforming only the plan contours to the daily CBCT. STAPLE also improves the precision, with a substantial decrease in standard deviation, a key for adaptive therapy. Geometrically and dosimetrically accurate contours can be automatically generated with STAPLE on prostate region kV CBCT in a time scale suitable for online adaptive therapy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Local orderings in long-range-disordered bismuth-layered intergrowth structure

A series of intergrowth bismuth-layered (Bi{sub 3}TiNbO{sub 9}){sub 2}(Bi{sub 4}Ti{sub 3}O{sub 12}) (2{sub 2}3) ceramics were prepared by conventional solid-state reaction to study the characteristics of the local orderings in long-range-disordered intergrowth structures. High-resolution high-angle annular dark-field (HAADF) imaging reveals the intergrowth structure composed of mixtures of -23-, -223-, -2223- and -22- sequences, while the -223- structure is the thermodynamic stable state of this intergrowth system. It was confirmed by the crystals of recurrent -223- structure prepared by self-flux method and the nature of the local ordering was discussed from their differences in repeating units. The statistics show that when repeating units reach 4 or higher, the independent -223- intergrowth ordering emerges clearly among the competing associated orderings. We infer it is the kinetic factor that induces local compositional variance to result in long-range disordered intergrowth structures. - Graphical abstract: The long-range-disordered intergrowth structure in a (Bi{sub 3}TiNbO{sub 9}){sub 2}(Bi{sub 4}Ti{sub 3}O{sub 12}) (2{sub 2}3) grain, which is composed of various types of local orderings, such as -22-, -23- and -223-. - Highlights: • The characteristic of the long-range-disordered (Bi{sub 3}TiNbO{sub 9}){sub 2}(Bi{sub 4}Ti{sub 3}O{sub 12}) (2{sub 2}3) structure was statistically analyzed, and the ordered -223- structure was speculated to be the thermodynamic stable state of the system. • The crystals of the -223- structure were successfully prepared for the first time by self-melt method. • The lower limit of the repeating units (L) to uniquely determine an independent intergrowth structure was speculated to be L=4. • The analysis inferred that the kinetic process is the controlling factor to limit the structural continuity and induce the long-range-disordered intergrowth structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

PERCEPTIVE: an R shiny $\underline{p}$ipelin$\underline{e}$ for the p$\underline{r}$edi$\underline{c}$tion of $\underline{ep}$igenetic modula$\underline{t}$ors $\underline{i}$n no$\underline{v}$el sp$\underline{e}$cies

Epigenetic processes are central to regulating gene expression, genome stability, and metabolic function across the tree of life; yet, their roles remain underexplored in microalgae, especially as new species continue to be identified and characterized. This is likely due to the cumbersome nature and species-dependent attributes of epigenetic wet-lab methodologies, which preclude the rapid identification of epigenetic modifications and modulators. However, there is high conservation of epigenetic processes from budding yeast to humans; in many cases, one may infer how behavior and function are epigenetically regulated in novel species by identifying epigenetic modulators, or the proteins responsible for conferring epigenetic modifications. Here, to this end, we have developed a graphical software package, titled PERCEPTIVE (pipeline for the prediction of epigenetic modulators in novel species). This platform solely uses the genomic sequence of an algal species, and preexisting information from other model organisms, to predict the epigenetic modulators and associated modifications in algae. Predictions are presented to the user in a graphical interface, which provides literature-based interpretation of results, enabling users to quickly understand potential epigenetic processes in their algal species of interest and plan follow-up experiments. To test PERCEPTIVE, we predicted epigenetic modulators in several feedstock candidate algae species. To validate these predictions, wet-lab studies were performed, including mass spectrometry; these results underscore the high accuracy of PERCEPTIVE predictions. Overall, PERCEPTIVE represents a powerful in silico tool for the research and manipulation of algal species, which does not require a priori knowledge of epigenetics and is accessible to a broad set of investigators.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Coreii - Scout

COREII Scout employs React, Vite, TypeScript, Tailwind, and Daisy UI for its graphical user interface (GUI), offering both dark and light modes. The code is modular, with components and reusable wrappers to enhance efficiency. The primary goal of COREII Scout is to aid analysts in collecting and analyzing various sources related to cyber attacks, utilizing models to automate the report writing process. It uses Named Entity Recognition (NER), a type of Natural Language Processing (NLP), to extract key entities from each source. Analysts review and classify these entities using the COREII Attack Chain Estimator (ACE), adding their comments. Ultimately, a Large Language Model (LLM) generates a detailed report with user guidance. This setup ensures a streamlined and effective approach to cyber attack analysis and reporting.

Pluth, Adam [Idaho National Laboratory (INL), Idah↗
DOE OSTI2011

Pillared and open-framework uranyl diphosphonates

The hydrothermal reactions of uranium trioxide, uranyl acetate, or uranyl nitrate with 1,4-benzenebisphosphonic acid in the presence of very small amount of HF at 200 deg. C results in the formation of three different uranyl diphosphonate compounds, [H{sub 3}O]{sub 2}{l_brace}(UO{sub 2}){sub 6}[C{sub 6}H{sub 4}(PO{sub 3})(PO{sub 2}OH)]{sub 2}[C{sub 6}H{sub 4}(PO{sub 2}OH){sub 2}]{sub 2}[C{sub 6}H{sub 4}(PO{sub 3}){sub 2}]{r_brace}(H{sub 2}O){sub 2} (Ubbp-1), [H{sub 3}O]{sub 4}{l_brace}(UO{sub 2}){sub 4}[C{sub 6}H{sub 4}(PO{sub 3}){sub 2}]{sub 2}F{sub 4}{r_brace}.H{sub 2}O (Ubbp-2), and {l_brace}(UO{sub 2})[C{sub 6}H{sub 2}F{sub 2}(PO{sub 2}OH){sub 2}(H{sub 2}O){r_brace}{sub 2}.H{sub 2}O (Ubbp-3). The crystal structures of these compounds were determined by single crystal X-ray diffraction experiments. Ubbp-1 consists of UO{sub 7} pentagonal bipyramids that are bridged by the phosphonate moieties to form a three-dimensional pillared structure. Ubbp-2 is composed of UO{sub 5}F{sub 2} pentagonal bipyramids that are bridged through the phosphonate oxygen atoms into one-dimensional chains that are cross-linked by the phenyl spacers into a pillared structure. The structure of Ubbp-3 is a three-dimensional open-framework with large channels containing water molecules with internal dimensions of approximately 10.9x10.9 A. Ubbp-1 and Ubbp-2 fluoresce at room temperature. - Graphical Abstract: Illustration of the three-dimensional open-framework structure of {l_brace}(UO{sub 2})[C{sub 6}H{sub 2}F{sub 2}(PO{sub 2}OH){sub 2}(H{sub 2}O){r_brace}{sub 2}.H{sub 2}O viewed along the c-axis. The structure is constructed from UO{sub 7} units, pentagonal bipyramids=green, oxygen=red, phosphorus=magenta, carbon=black, hydrogen=white. Highlights: > The influence of the uranyl salt anions and pH were critically examined in relation to structural variation. > The acetate and nitrate counter ions of uranyl may be acting as structure directing agents. > The use of rigid phenyl spacer yield a three-dimensional network of pillared structures of uranyl diphosphonates that fluoresce. > The fluorination of the phenyl ring under hydrothermal condition. > The large voids in this structure are suggestive of potential applications in sorption, separation of gases and in catalytic processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Transformation of thiolated chitosan-templated gold nanoparticles to huge microcubes

Graphical abstract: - Highlights: • Mercapto groups were grafted to chitosan molecule by a reactive amine reduction. • Functional polymer with well-defined monomer units controls AuNPs assembly. • Assembled morphologies depend on the ratio of AuNPs to thiolate groups. • Microcubes with side length of ∼20 μm was synthesized through a dialysis step. • A edge-to-middle growth mechanism of gold microcubes was observed. - Abstract: The L-cysteine molecules were successfully grafted to the 2-amino group of chitosan by a reactive amine reduction, and the as-synthesized thiolated chitosan (TC) molecules were used as the templates to direct the self-assembly of gold nanoparticles and induce the transformation of these assemblies to gold microcubes through a deep-going dialysis. We found that the ratio of gold nanoparticles to TC molecules could greatly affect the shape of the assembled clusters. Different stages of these clusters and microstructures during the dialysis process were characterized by scanning electron microscope (SEM), and the microcubes with average side length of about 20 μm were successfully synthesized. According to the morphology evolution of the assembly, it could be concluded that the microcubes were formed from external to internal. The SERS area mapping images of microcubes and some clusters were also collected to study the formation mechanism of gold microcubes. Our work demonstrates a simple and highly effective way to assemble gold nanoparticles into microcubes with unique properties.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Depleted Uranium Discrimination Using Spectral Ratios from Data-Starved Spectra - 18619

The Institute for Clean Energy Technology (ICET) has developed mobile surveying platforms for the retrieval of fired depleted uranium (DU) munitions. ICET surveying platforms are fitted with differential global positioning system (GPS), scintillation detectors, and central processing units (CPUs). The surveying technology has historically been used to assist facilities where DU contamination is a concern to locate, retrieve, and remediate DU-contaminated areas. Residence times over DU sources for mobile systems normally do not produce enough data to use gamma ray spectroscopy to verify the source type. Discussed is a potential method used to discriminate DU signatures in data-starved gamma ray spectral data collected during field surveys. Laboratory tests have shown that data-starved gamma ray spectra for zero-valence, oxide, and uranium ores can be distinguished from each other and from background by spectral ratioing. Zero-valence DU and DU oxide gamma ray signatures differ due to the attenuation of low-energy gammas emitted from U-238 daughters. DU signatures can be differentiated from naturally occurring uranium spectra due to the presence of daughters below U-234, primarily bismuth (Bi)-214, in the uranium decay series. Three primary regions of interest (ROI) within the analyzed test spectra are used to roughly characterize the shape of each test spectrum and compare them to background. The three ROIs are focused around the gamma-emitting daughters of U-238: thorium (Th)-234, protactinium (Pa)-234 metastable (m), and Bi-214. One of the three regions is considered the base region. This region is used to estimate what the counts in the other two regions should be by multiplying the counts in the ROIs by a ratio of background counts from an area previously found to be impacted. Using this spectral ratioing technique, a non-zero difference in spectral ratio values indicates a shift in the test spectra away from background. Calculating ratios between the base region and the other two regions allows for a graphical representation of the data in a two-dimensional spectral ratioing space, which is used to differentiate between the types of uranium sources previously mentioned. Surveying processes that are based on gross counts from scintillation counters can result in a large number of false positives as a result of shifting background signals or the presence of naturally occurring uranium. Application of the spectral ratioing technique can further assist in site characterization by analyzing all of the data-starved survey spectra to identify false positives or the need for additional data collection. Accurate surveys of DU testing and training ranges reduces the costs associated with range clean-up by discriminating clean areas from those requiring remediation. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Ion chamber absorbed dose calibration coefficients, N{sub D,w}, measured at ADCLs: Distribution analysis and stability

Purpose: To analyze absorbed dose calibration coefficients, N{sub D,w}, measured at accredited dosimetry calibration laboratories (ADCLs) for client ionization chambers to study (i) variability among N{sub D,w} coefficients for chambers of the same type calibrated at each ADCL to investigate ion chamber volume fluctuations and chamber manufacturing tolerances; (ii) equivalency of ion chamber calibration coefficients measured at different ADCLs by intercomparing N{sub D,w} coefficients for chambers of the same type; and (iii) the long-term stability of N{sub D,w} coefficients for different chamber types by investigating repeated chamber calibrations. Methods: Large samples of N{sub D,w} coefficients for several chamber types measured over the time period between 1998 and 2014 were obtained from the three ADCLs operating in the United States. These are analyzed using various graphical and numerical statistical tests for the four chamber types with the largest samples of calibration coefficients to investigate (i) and (ii) above. Ratios of calibration coefficients for the same chamber, typically obtained two years apart, are calculated to investigate (iii) above and chambers with standard deviations of old/new ratios less than 0.3% meet stability requirements for accurate reference dosimetry recommended in dosimetry protocols. Results: It is found that N{sub D,w} coefficients for a given chamber type compared among different ADCLs may arise from differing probability distributions potentially due to slight differences in calibration procedures and/or the transfer of the primary standard. However, average N{sub D,w} coefficients from different ADCLs for given chamber types are very close with percent differences generally less than 0.2% for Farmer-type chambers and are well within reported uncertainties. Conclusions: The close agreement among calibrations performed at different ADCLs reaffirms the Calibration Laboratory Accreditation Subcommittee process of ensuring ADCL conformance with National Institute of Standards and Technology standards. This study shows that N{sub D,w} coefficients measured at different ADCLs are statistically equivalent, especially considering reasonable uncertainties. This analysis of N{sub D,w} coefficients also allows identification of chamber types that can be considered stable enough for accurate reference dosimetry.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2025

Imaging Bragg Edge Analysis TooLs for Engineering Structures (iBeatles)

The Spallation Neutron Source (SNS) at Oak Ridge National Laboratory (ORNL) provides pulsed neutrons with energies varying from epithermal to cold. In preparation for VENUS, the neutron imaging beamline to be located at beam port 10, we have performed a series of experiments focused on wavelength-dependent radiography and computed tomography for a broad range of applications, from materials science to biological tissues.One of the time-of-flight (TOF) techniques that is of interest to the scientific community is the 2-dimensional mapping of phases and average crystalline plane orientation in samples both ex-situ and during applied stresses such as tensile loading and heating. This technique is known as Bragg edgeimaging and relies on the identification of changes of transmission values, fitting of the edge to measure its displacement, and thus identify the shift in lattice parameter due to stresses. One of the challenges of TOF imaging measurements is the amount of data and the inability to observe Bragg edge shifts in real time during an experiment. Thus, we have been focusing on creating a Python-based interface that allows fast data processing and instantaneous mapping and fitting of the Bragg edges, and their evolution through time. Python libraries and Jupyter notebooks have been implemented to facilitate decision making during an experiment. The advantage of the notebooks is the possibility to guide an experiment as they can quickly process and display Bragg edge data. These notebooks can be used independently, or can be combined in a Python Graphical User Interface (GUI) tool called iBeatles. This interface permits visualization and fitting of the Bragg edges, and ultimately back-projects the fitting results onto the radiographs to display a strain map. Assuming data collection has sufficient statistics, the strain mapping analysis can be performed on a pixel-by-pixel basis. This development is a step forward toward a better user experience at the future VENUS beamline in terms of live feedback and productivity. Analysis that used to take days of switching between different applications can now be done in minutes within the

Bilheux, JeanChristophe [Oak Ridge National Labora↗