The Combinatorial Approach to Testing and Characterization of Irradiated Fuels and Reactor Structural Materials
Testing and characterization of irradiated fuels and reactor structural materials
36 - MATERIALS SCIENCE↗
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Exploring Sustainability in Scientific Software through Code Quality & Test Coverage Metrics
Context: Scientific open-source software (SciOSS) plays a foundational role in research and engineering, yet its long-term sustainability has often been overlooked and remains a significant concern. Objective: This study investigates the long-term sustainability of SciOSS through code and test quality metrics. Method: We analyze CASS Software Portfolio projects, classifying them by sustainability and comparing their code structure, test coverage, and links between code quality and testing across the dataset. Results: Sustainable projects show higher, more consistent test coverage and clearer code-test correlations, while unsustainable ones show weaker patterns. Overall, test coverage is low in scientific software, and high complexity and coupling reduce testability. Conclusion: In this study, we present a practical, data-driven approach for assessing sustainability in scientific software, offering a foundation for evaluating long-term software health and supporting future efforts in quality assurance and sustainability monitoring.
Md mushfiqur rahman, Sheikh [University of Tenness↗
LANL Test Engineering’s Structural Dynamics Research and Development Efforts [Slides]
LANL’s Test Engineering group continuously pursues research and development in structural dynamics to improve shock and vibration testing capabilities, processes, and analysis techniques to increase the fidelity of service environment recreations in laboratory testing settings.
42 ENGINEERING↗
Assessment of wafer scale MoS 2 atomic layers grown by metal–organic chemical vapor deposition using organo-metal, organo-sulfide, and H 2 S precursors
Transition Metal Dichalcogenides (TMDs) are a unique class of materials that exhibit attractive electrical and optical properties which have generated significant interest for applications in microelectronics, optoelectronics, energy storage, and sensing. Considering the potential of these materials to impact such applications, it is crucial to develop a reliable and scalable synthesis process that is compatible with modern industrial manufacturing methods. Metal–organic chemical vapor deposition (MOCVD) offers an ideal solution to produce TMDs, due to its compatibility with large-scale production, precise layer control, and high material purity. Optimization of MOCVD protocols is necessary for effective TMD synthesis and integration into mainstream technologies. Additionally, improvements in metrology are necessary to measure the quality of the fabricated samples more accurately. In this work, we study MOCVD of wafer-scale molybdenum disulfide (MoS 2 ) utilizing two common chalcogen precursors, H 2 S and DTBS. We then develop a metrology platform for wafer scale samples quality assessment. For this, the coalesced films were characterized using Raman spectroscopy, atomic force microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy, and Kelvin probe force microscopy. We then correlate the structural analysis of these grown films with electrical performance by using aerosol jet printing to fabricate van der Pauw test structures and assess sheet resistance.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
3D printing of large, complex metallic glass structures
Metallic glasses (MGs) or amorphous alloys although have superior mechanical properties their products are limited to simple geometries such as foils/plates or rods with thin section-thickness due to the requirement of high cooling rates. In this study, 3D, large dimensions of amorphous structures with complex geometry are manufactured by our newly developed Laser Foil Printing (LFP) technology. Zr-based (LM105, provided by Liquidmetal Technologies, Inc.) amorphous foils of 100 μm thickness are used as feedstock, and they are laser welded, layer-by-layer, to become 3D amorphous structures. Test results by X-Ray diffraction (XRD), differential scanning calorimetry (DSC), and micro-hardness confirm that the printed structures at selected process parameters achieve the same or better degree of amorphization as the raw foils. A mathematical model was developed to calculate the heating and cooling rates during structure manufacturing which helps the selection of process parameters. Here this study expands MG products to 3D arbitrary geometries with large dimensions due to the inherited advantages of the LFP technology which would open many potential applications.
36 MATERIALS SCIENCE↗
Composites Manufacturing Education and Technology Facility Expedites Manufacturing Innovation
The Composites Manufacturing Education and Technology facility (CoMET) at the National Wind Technology Center at the National Renewable Energy Laboratory (NREL) paves the way for innovative wind turbine components and accelerated manufacturing. Available for use by industry partners and university researchers, the 10,000-square-foot facility expands NREL's composite manufacturing research capabilities by enabling researchers to design, prototype, and test composite wind turbine blades and other components -- and then manufacture them onsite. Designed to work in conjunction with NREL's design, analysis, and structural testing capabilities, the CoMET facility expedites manufacturing innovation.
17 WIND ENERGY↗
Structural Optimization (Final Technical Report V.2.0)
The overall Project (Project) objective is to materially decrease the leveled cost of energy (LCOE) of the Columbia Power (CPwr) StingRAY utility-scale wave energy converter (WEC). This will be achieved by reducing structural material and manufacturing costs and increasing energy output. In this Project, improving the overall Power-to-Weight ratio (PWR) is accomplished through lowering design margins - allowing for weight reduction and more efficient, cost-effective WEC manufacturing and assembly - and by optimizing mass-related WEC performance parameters, such as center of gravity and system inertia. A mixed materials approach to further structural optimization was developed under this Project and validated with extensive laboratory structural testing. This approach substitutes fiber-reinforced plastic (FRP) for steel where appropriate. The benefits of steel are maintained where most useful, for instance at structural joints where the stiffness of steel is required, and the complex geometry is more readily fabricated with steel. However, there are structural spans whose simple shapes are readily fabricated with mandrel-wound FRP and where significant cost and weight savings can be found. An adhesive, double lap shear joint is used to join the FRP and steel subcomponents.
16 TIDAL AND WAVE POWER↗
A new approach to formation of the topology of planar structures on the basis of a YBCO high-temperature superconductor
The paper presents a new etching-free technology for the formation of planar superconductor structures based on YBCO films with metal contacts. The required topology of superconducting elements from YBCO film is created by the proposed “preliminary topology mask” method. The ohmic contacts to the superconducting structure are produced by lift-off photolithography. In order to study the capabilities of this technology, measurements of superconducting bridges with a width of 3, 10, and 50 μm and test structures for measuring the contact resistance are performed.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Mg x Zn 1−x O contact to CuGa 3 Se 5 absorber for photovoltaic and photoelectrochemical devices
Abstract CuGa 3 Se 5 is a promising candidate material with wide band gap for top cells in tandem photovoltaic and photoelectrochemical (PEC) devices. However, traditional CdS contact layers used with other chalcopyrite absorbers are not suitable for CuGa 3 Se 5 due to the higher position of its conduction band (CB) minimum. Mg x Zn 1− x O (MZO) is a transparent oxide with adjustable band gap and CB position as a function of magnesium composition, but its direct application is hindered by CuGa 3 Se 5 surface oxidation. Here, MZO is investigated as a contact (n-type ‘buffer’ or ‘window’) material to CuGa 3 Se 5 absorbers pretreated in Cd 2+ solution, and an onset potential close to 1 V vs reversible hydrogen electrode in 10 mM hexaammineruthenium (III) chloride electrolyte is demonstrated. The Cd 2+ surface treatment changes the chemical composition and electronic structure of the CuGa 3 Se 5 surface, as demonstrated by photoelectron spectroscopy measurements. The performance of CuGa 3 Se 5 absorber with Cd 2+ treated surface in the solid-state test structure depends on the Zn/Mg ratio in the MZO layer. The measured open circuit voltage of 925 mV is promising for tandem PEC water splitting with CuGa 3 Se 5 /MZO top cells.
36 MATERIALS SCIENCE↗
A Scalable & Non-Destructive Characterization Strategy to Study Semiconductor/Dielectric Interfaces and Predict Wafer-Level Device Performance
The defect density present at the dielectric-semiconductor interface in an MOS structure directly influences the channel carrier characteristics in semiconductor devices, especially in wide bandgap material systems used in power devices. While these trap defects are typically quantified through electrical characterization of MOS-capacitor test structures, this treatment offers very little insight into the physical nature of interface defects. Such shortcomings demand a physical characterization strategy to guide fabrication optimization. X-ray photoelectron spectroscopy (XPS) is suggested as a viable technique to determine chemical data for dielectric interfaces formed using atomic layer deposition (ALD) on GaN substrates. Previously, 1-D XPS characterization has confirmed the presence of a Ga x O y interlayer between ALD dielectrics and the GaN substrate. In this work, XPS data is serially collected to form 2-D images of an ALD-Al 2 O 3 /GaN interface as a proof-of-concept experiment for in-situ XPS quality monitoring during ALD processing. The information provided by this work reveals some of the challenges for incorporating XPS characterization as an in-situ strategy during fabrication of GaN-based devices. Separately, electrical mapping of a 2-D array of ALD-Al 2 O 3 /GaN MOS-capacitor devices provide a means to quantify the spatial variations in interface quality across a single wafer. Physical characterization techniques, such as time-of-flight secondary ion mass spectroscopy, provide additional chemical information about the Al 2 O 3 /Ga x O y /GaN structure that complement the electrical mapping results. This analysis shows that a higher Ga x O y content correlates with higher interface state defects for trap energies deep in the band gap.
42 ENGINEERING↗
The comparison of semiempirical and ab initio molecular modeling methods in activity and property evaluation of selected antimicrobial sulfonamides
A group of sulfonamides exhibiting antimicrobial activity was analyzed with the application of quantitative structure–activity/property relationships method. The purpose of this study was to show the common and differentiating characteristics of the analyzed chemical structures alike physicochemically as well as pharmacologically based on the quantum-chemical calculations both in vacuo and in the aquatic environment together with their microbiological activity and chromatographic retention data. The semiempirical and ab initio level of in silico molecular modeling was performed for calculations of statistically significant molecular descriptors to compare obtained results. The relationship between the structure and biological activity and physicochemical parameters data was able to class and describe analyzed molecules and the applied chemometric approaches (principal component analysis, factor analysis, and multiple regression analysis) revealed the influential features of the tested structures responsible for the antimicrobial activity.
60 APPLIED LIFE SCIENCES↗
Detection of Apparent Early Rabies Infection by LN34 Pan-Lyssavirus Real-Time RT-PCR Assay in Pennsylvania
The Pennsylvania Department of Health Bureau of Laboratories (PABOL) tested 6855 animal samples for rabies using both the direct fluorescent antibody test (DFA) and LN34 pan-lyssavirus reverse transcriptase quantitative PCR (RT-qPCR) during 2017–2019. Only two samples (0.03%) were initially DFA negative but positive by LN34 RT-qPCR. Both cases were confirmed positive upon re-testing at PABOL and confirmatory testing at the Centers for Disease Control and Prevention by LN34 RT-qPCR and DFA. Rabies virus sequences from one sample were distinct from all positive samples processed at PABOL within two weeks, ruling out cross-contamination. Levels of rabies virus antigen and RNA were low in all brain structures tested, but were higher in brain stem and rostral spinal cord than in cerebellum, hippocampus or cortex. Taken together, the low level of rabies virus combined with higher abundance in more caudal brain structures suggest early infection. These cases highlight the increased sensitivity and ease of interpretation of LN34 RT-qPCR for low positive cases.
59 BASIC BIOLOGICAL SCIENCES↗
Unlocking America's Abundant Marine Energy Resources
NREL Marine Energy One-Pager: A resource designed for use during NREL campus visits - especially with high-profile guests - as well as at events in Washington, D.C., when engaging with the new administration, and for displays at WPTO or lab booths. The U.S. holds vast untapped marine energy resources - wave, tidal, river, and ocean currents - that can strengthen grid resilience, support coastal communities, and advance energy independence. NREL leads innovation in this space through advanced modeling tools, patented technologies, and world-class testing facilities. NREL's simulation platforms, like OpenFAST and SAM, help reduce development time and risk. Patented devices such as PKelp and FlexWEC demonstrate flexible, resilient approaches to energy capture. At Flatirons Campus, NREL offers motion simulation, structural testing, wave tanks, and megawatt-scale microgrid emulation via the ARIES platform. These capabilities help developers refine and validate devices before in-water trials. With upcoming open-water testing at PacWave and strong partnerships, NREL is accelerating the path to commercialization - positioning the U.S. as a global leader in marine energy innovation.
17 WIND ENERGY↗
Seismic and LOCA safety testing and analysis program for Westinghouse PWR fuel under end of life conditions
The NRC issued Information Notice - IN 2012-09 in June 2012 which challenges approved assumptions based on the beginning of life (BOL) conditions in seismic and LOCA analysis. Westinghouse manufactures a variety of PWR fuel designs, including 14*14, 15*15, 16*16 and 17*17 array, also different fuel lengths from 12 feet to 14 feet. The fuels are supplied to the cores designed by Westinghouse and Combustion Engineering, and other cores around world. To address IN 2012-09 efficiently and economically, Westinghouse and PWR Owner Groups launched a testing and analysis program funded by PWROG. The program planed testing and analysis matrices based on types of fuel designs. The testing plan includes grid crush tests, fuel assembly mechanical tests and flowing water damping tests. Applying modelling technique, the program will reduce the number of test and cost. The ultimate goal of the program is to generate fuel assembly EOL models for all fuel designs manufactured by Westinghouse and to be ready for any plant specific seismic and LOCA analysis to address NRC IN for EOL effect. The phase I of PWROG for EOL conditions has been completed and several conclusions are obtained. First, the gapped grids reduce grid dynamic stiffness, local impact stiffness and crush strength. Also, due to gapped grids, both the fuel assembly natural frequency and stiffness are reduced. Secondly, applying higher fuel assembly damping due to the flowing water effect can significantly reduce fuel assembly impact forces. However, during a seismic event the reactor coolant pumps may trip resulting in a coast-down. As such, reduced flow rates that occur during the pump coast-down must be considered. Thirdly, the analytical model representation of a reactor core adequately characterizes the core response under seismic and LOCA excitations. Static and dynamic structural test results of a fuel assembly compared with analytical predictions indicate that the fuel assembly lateral and axial structural behavior can be fully determined with finite element models. Fourthly, analyses for EOL fuel assemblies under seismic and LOCA loads demonstrate EOL effect and flowing water damping effect. With flowing water damping benefit, significant margin can be recovered for fuel assemblies with EOL conditions and under seismic loads.
21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
Accurate Ultrasonic Thickness Measurement for Arbitrary Time-Variant Thermal Profile
Ultrasonic thickness measurement of mechanical structures is one of the most popular and commonly used nondestructive methods for various kinds of process control and corrosion monitoring. With ultrasonic propagation speed being temperature-dependent, the thickness measurement can be performed reliably only when the thermal profile is completely known. Most conventional techniques assume the temperature of the test structure is uniform and at room temperature across its thickness. Such assumptions may lead to large errors in the thickness measurement, especially when there are significant temperature variations across the thickness. State-of-the-art techniques use external temperature measurements or implement iterative methods to compensate for the unknown thermal profiles. However, such techniques produce unsatisfactory results when the heat distribution is complex or varies rapidly with time. In this work, we propose a two-sensors technique, using both compressive and shear excitations, with a non-iterative rapid data processing method for accurate thickness measurement under arbitrary time-variant thermal profile. The independent behavior of shear and compressive waves is used to formulate a real-time thickness estimation technique. The developed technique is experimentally validated on a steel plate with fixed acoustic sensors. Test results show that the error in thickness estimation can be reduced by up to 98% compared to conventional thickness gauging methods.
36 MATERIALS SCIENCE↗
Establishing the Quality Assurance programme for the strip sensor production of the ATLAS tracker upgrade including irradiation with neutrons, photons and protons to HL-LHC fluences
The successful pre-production delivery of strip sensors for the new Inner Tracker (ITk) for the upgraded ATLAS detector at the High Luminosity LHC (HL-LHC) at CERN was completed and based on their performance full production has commenced. The overall delivery period is anticipated to last 4 years to complete the approximately 22000 sensors required for the ITk. For Quality Assurance (QA), a number of test structures designed by the collaboration, along with a large area diode and miniature version of the main sensor, are produced in every wafer by the foundry Hamamatsu Photonics K.K (HPK). As well as Quality Control (QC) checks on every main sensor, samples of the QA pieces from each delivery batch are tested both before and after irradiation with results after exposure to neutrons, gammas or protons to fluences and doses corresponding to those anticipated after operation at the HL-LHC to roughly 1.5 times the ultimate integrated luminosity of 4000 fb -1 . In this paper the procedures are presented and the studies carried out to establish that the seven ITk QA Strip Sensor irradiation and test sites meet all the requirements to support this very extensive programme throughout the strip sensor production phase for the ITk project.
47 OTHER INSTRUMENTATION↗
Experimental study of different silicon sensor options for the upgrade of the CMS Outer Tracker
During the high-luminosity phase of the LHC (HL-LHC), planned to start in 2027, the accelerator is expected to deliver an instantaneous peak luminosity of up to 7.5×10 34 cm –2 s –1 . A total integrated luminosity of 3000 or even 4000 fb –1 is foreseen to be delivered to the general purpose detectors ATLAS and CMS over a decade, thereby increasing the discovery potential of the LHC experiments significantly. The CMS detector will undergo a major upgrade for the HL-LHC,with entirely new tracking detectors consisting of an Outer Tracker and Inner Tracker. However, the new tracking system will be exposed to a significantly higher radiation than the current tracker, requiring new radiation-hard sensors. CMS initiated an extensive irradiation and measurement campaign starting in 2009 to systematically compare the properties of different silicon materials and design choices for the Outer Tracker sensors. Several test structures and sensors were designed and implemented on 18 different combinations of wafer materials, thicknesses, and production technologies. The devices were electrically characterized before and after irradiation with neutrons,and with protons of different energies, with fluences corresponding to those expected at different radii of the CMS Outer Tracker after 3000 fb –1 . The tests performed include studies with β sources, lasers, and beam scans. This paper compares the performance of different options for the HL-LHC silicon sensors with a focus on silicon bulk material and thickness.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Protein Conformational States—A First Principles Bayesian Method
Automated identification of protein conformational states from simulation of an ensemble of structures is a hard problem because it requires teaching a computer to recognize shapes. We adapt the naïve Bayes classifier from the machine learning community for use on atom-to-atom pairwise contacts. The result is an unsupervised learning algorithm that samples a ‘distribution’ over potential classification schemes. We apply the classifier to a series of test structures and one real protein, showing that it identifies the conformational transition with >95% accuracy in most cases. A nontrivial feature of our adaptation is a new connection to information entropy that allows us to vary the level of structural detail without spoiling the categorization. This is confirmed by comparing results as the number of atoms and time-samples are varied over 1.5 orders of magnitude. Further, the method’s derivation from Bayesian analysis on the set of inter-atomic contacts makes it easy to understand and extend to more complex cases.
97 MATHEMATICS AND COMPUTING↗