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Learning error distribution kernel‐enhanced neural network methodology for multi‐intersection signal control optimization

Traffic congestion has substantially induced significant mobility and energy inefficiency. Many research challenges are identified in traffic signal control and management associated with artificial intelligence (AI)-based models. For example, developing AI-driven dynamic traffic system models that accurately capture high-resolution traffic attributes and formulate robust control algorithms for traffic signal optimization is difficult. Additionally, uncertainties in traffic system modeling and control processes can further complicate traffic signal system controllability. To partially address these challenges, this study presents a novel, hybrid neural network model enhanced with a probability density function kernel shaping technique to formulate traffic system dynamics better and improve comprehensive traffic network modeling and control. The numerical experimental tests were conducted, and the results demonstrate that the proposed control approach outperforms the baseline control strategies and reduces overall average delays by 11.64% on average. By leveraging the capabilities of this innovative model, this study aims to address major challenges related to traffic congestion and energy inefficiency toward more effective and adaptable AI-based traffic control systems.

Wang, Hong [Oak Ridge National Laboratory (ORNL), ↗

Rapid Reflective Facet Characterization Using Fringe Reflection Techniques

Reflective mirror facets for concentrating solar power (CSP) systems have stringent requirements on the surface slope accuracy in order to provide adequate system performance. This paper presents a tool that can fully characterize facets quickly enough for 100% inspection on a production line. A facet for a CSP system, specifically a dish concentrator has a parabolic design shape. This shape will concentrate near-parallel rays from the sun to a point (or a line for trough systems). Deviations of surface slope from the design shape impact the performance of the system, either losing power that misses the target or increasing peak fluxes to undesirable levels. During development or production, accurate knowledge of facet defects can lead to improvements to lower cost or improve performance. The reported characterization system, SOFAST (Sandia Optical Fringe Analysis Slope Tool), has a computer-connected camera that images the reflective surface, which is positioned so that it reflects an active target, such as an LCD screen, to the camera. A series of fringe patterns are displayed on the screen while images are captured. Using the captured information, the reflected target location of each pixel of mirror viewed can be determined, and thus through a mathematical transformation, a surface normal map can be developed. This is then fitted to the selected model equation, and the errors from design are characterized. While similar approaches have been explored, several key developments are presented here. The combination of the display, capture, and data reduction in one system allows rapid characterization. An “electronic boresight” approach is utilized to accommodate physical equipment positioning deviations, making the system insensitive to setup errors. Up to 1.5×10 6 points are characterized on each facet. Finally, while prior automotive industry commercial systems resolve the data to shape determination, SOFAST concentrates on slope characterization and reporting, which is tailored to solar applications. SOFAST can be used for facet analysis during development. However, the real payoff is in production, where complete analysis is performed in about 10s. With optimized coding, this could be further reduced.

14 SOLAR ENERGY↗

SU-E-T-629: Feasibility Study of Treating Multiple Brain Tumors with Large Number of Noncoplanar IMRT Beams

Purpose: To study the feasibility of treating multiple brain tumors withlarge number of noncoplanar IMRT beams. Methods: Thirty beams are selected from 390 deliverable beams separated by six degree in 4pi space. Beam selection optimization is based on a column generation algorithm. MLC leaf size is 2 mm. Dose matrices are calculated with collapsed cone convolution and superposition method in a 2 mm by 2mm by 2 mm grid. Twelve brain tumors of various shapes, sizes and locations are used to generate four plans treating 3, 6, 9 and 12 tumors. The radiation dose was 20 Gy prescribed to the 100% isodose line. Dose Volume Histograms for tumor and brain were compared. Results: All results are based on a 2 mm by 2 mm by 2 mm CT grid. For 3, 6, 9 and 12 tumor plans, minimum tumor doses are all 20 Gy. Mean tumor dose are 20.0, 20.1, 20.1 and 20.1 Gy. Maximum tumor dose are 23.3, 23.6, 25.4 and 25.4 Gy. Mean ventricles dose are 0.7, 1.7, 2.4 and 3.1 Gy.Mean subventricular zone dose are 0.8, 1.3, 2.2 and 3.2 Gy. Average Equivalent uniform dose (gEUD) values for tumor are 20.1, 20.1, 20.2 and 20.2 Gy. The conformity index (CI) values are close to 1 for all 4 plans. The gradient index (GI) values are 2.50, 2.05, 2.09 and 2.19. Conclusion: Compared with published Gamma Knife treatment studies, noncoplanar IMRT treatment plan is superior in terms of dose conformity. Due to maximum limit of beams per plan, Gamma knife has to treat multiple tumors separately in different plans. Noncoplanar IMRT plans theoretically can be delivered in a single plan on any modern linac with an automated couch and image guidance. This warrants further study of using noncoplanar IMRT as a viable treatment solution for multiple brain tumors.

60 APPLIED LIFE SCIENCES↗

Three Dimensional Analysis of Pier Extension and Guide Wall Design Alternatives to Mitigate Local Scour Risk at the BNSF Railroad Bridge Downstream of the Prado Dam

The primary objectives of the computational fluid dynamics (CFD) analysis are (1) to verify that the design concept of using wedge shaped pier extensions to divert flow around piers as a scour counter measure has the intended effect on the flow, (2) to refine the design of the length and orientation of the pier extensions within the channel and (3) to optimize the guide walls that will protect a set of outer piers and the abutments on each side of the channel. The original proposed design is shown in Figure 1.3. The results of this effort are the recommended designs that are judged to be the best designs based on results from the set of test cases run combined with engineering judgment. The refined designs from the CFD analysis are expected to be tested in a limited set of physical model experiments to verify that they work well.

42 ENGINEERING↗

Mixed Material Scintillator Systems for Neutron Detection

Scintillators are a fundamental technology that enables radiation detection. Their use has historically enabled the detection of incoming gamma radiation, with recent advances in plastic scintillator development enabling detection and discrimination of neutron and gamma radiation through pulse shape discrimination. However, scintillators have so far consisted of a single material, typically one primary dye and one secondary dye embedded in a plastic matrix. Based on the simulation studies described previously, mixed material scintillator systems with multiple secondary dyes arranged in alternating, periodic micro-sized regions opens the door for scintillators with a wide variety of different capability, such as directional sensing, positional reconstruction, particle identification, and pulse shape discrimination. However, fabrication of a mixed material scintillator system by conventional manufacturing methods is difficult to manufacture and scale, creating a barrier to their wide spread implementation. On the other hand, additive manufacturing additive manufacturing presents itself as the optimal method for fabricating mixed material scintillator systems based on its flexibility, ability to fabricate fine features, and potential for multimaterial fabrication.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Rheo–Electric Foundations and Engineering of Carbon Slurry Flow Electrodes

Flowable carbon slurry electrodes promise continuous, scalable electrochemical desalination and energy storage when their rheology (flow and stability) and electronic connectivity are jointly optimized. This report integrates six complementary thrusts that we executed under the Laboratory Directed Research and Development (LDRD) project: (i) a fast, ex situ, centrifuge-compatible method to quantify pellet (packed slurry) electronic conductivity, with a validated cell constant (“shape factor”) and quantitative structure–property insights for carbon mixtures; (ii) a controlled circulation study showing that peristaltic pumping can irreversibly alter particle size and morphology over laboratory-relevant durations; (iii) development of a miniature jet pump that preserves particle integrity while achieving entrainment ratios of 2–4 at practical flow rates; (iv) a comprehensive mapping of how a representative non-ionic surfactant (Tween 20) collapses the carbon gel network, separating network-percolation losses from intrinsic particle contact resistance; (v) in-situ visualization revealing how gravitational settling and flow-driven mixing compete to control charge transport, with dynamic bed layers preventing saturation while achieving 30-fold local concentration enhancement; and (vi) a simple, widely adoptable fabrication route to structured, gas-nitrided titanium nitride (TiN) titanium current collectors that dramatically lower interfacial losses and enable geometry-driven performance gains. Together, these results provide a coherent toolchain and design rules to accelerate formulation screening, de-risk device prototyping, and standardize characterization for carbon slurry electrodes in flow-electrode capacitive deionization (FCDI), electrochemical flow capacitor (EFC), and related systems.

25 ENERGY STORAGE↗

Comparative study of structure formation and mechanical behavior of age-hardened Ti–Nb–Zr and Ti–Nb–Ta shape memory alloys

This work sets out to study the peculiar effects of aging treatment on the structure and mechanical behavior of cold-rolled and annealed biomedical Ti–21.8Nb–6.0Zr (TNZ) and Ti–19.7Nb–5.8Ta (TNT) (at.%) shape memory alloys by means of transmission electron microscopy, X-ray diffractometry, functional fatigue and thermomechanical testing techniques. Dissimilar effects of aging treatment on the mechanical behavior of Zr- and Ta-doped alloys are explained by the differences in the ω-phase formation rate, precipitate size, fraction and distribution, and by their effect on the alloys' critical stresses and transformation temperatures. Even short-time aging of the TNZ alloy leads to its drastic embrittlement caused by “overaging”. On the contrary, during aging of the TNT alloy, formation of finely dispersed ω-phase precipitates is gradual and controllable, which makes it possible to finely adjust the TNT alloy functional properties using precipitation hardening mechanisms. To create in this alloy nanosubgrained dislocation substructure containing highly-dispersed coherent nanosized ω-phase precipitates, the following optimum thermomechanical treatment is recommended: cold rolling (true strain 0.37), followed by post-deformation annealing (600 °C, 15–30 min) and age-hardening (300 °C, 30 min) thermal treatments. It is shown that in TNT alloy, pre-transition diffraction effects (diffuse reflections) can “mask” the β-phase substructure and morphology of secondary phases. - Highlights: • TNZ alloy is characterized by much higher ω-phase precipitation rate than TNT alloy. • Difference in precipitation rates is linked to the difference in Zr and Ta diffusion mobility. • Aging of nanosubgrained TNZ alloy worsens its properties irrespective of the aging time. • Aging time of nanosubgrained TNT alloy can be optimized to improve its properties.

36 MATERIALS SCIENCE↗

SU-E-T-33: A Feasibility-Seeking Algorithm Applied to Planning of Intensity Modulated Proton Therapy: A Proof of Principle Study

Purpose: To investigate the applicability of feasibility-seeking cyclic orthogonal projections to the field of intensity modulated proton therapy (IMPT) inverse planning. Feasibility of constraints only, as opposed to optimization of a merit function, is less demanding algorithmically and holds a promise of parallel computations capability with non-cyclic orthogonal projections algorithms such as string-averaging or block-iterative strategies. Methods: A virtual 2D geometry was designed containing a C-shaped planning target volume (PTV) surrounding an organ at risk (OAR). The geometry was pixelized into 1 mm pixels. Four beams containing a subset of proton pencil beams were simulated in Geant4 to provide the system matrix A whose elements a-ij correspond to the dose delivered to pixel i by a unit intensity pencil beam j. A cyclic orthogonal projections algorithm was applied with the goal of finding a pencil beam intensity distribution that would meet the following dose requirements: D-OAR < 54 Gy and 57 Gy < D-PTV < 64.2 Gy. The cyclic algorithm was based on the concept of orthogonal projections onto half-spaces according to the Agmon-Motzkin-Schoenberg algorithm, also known as ‘ART for inequalities’. Results: The cyclic orthogonal projections algorithm resulted in less than 5% of the PTV pixels and less than 1% of OAR pixels violating their dose constraints, respectively. Because of the abutting OAR-PTV geometry and the realistic modelling of the pencil beam penumbra, complete satisfaction of the dose objectives was not achieved, although this would be a clinically acceptable plan for a meningioma abutting the brainstem, for example. Conclusion: The cyclic orthogonal projections algorithm was demonstrated to be an effective tool for inverse IMPT planning in the 2D test geometry described. We plan to further develop this linear algorithm to be capable of incorporating dose-volume constraints into the feasibility-seeking algorithm.

60 APPLIED LIFE SCIENCES↗

TREAT Neutronics Analysis and Design Support, Part I: Multi-SERTTA

Experiment vehicle design is necessary in preparation for Transient Reactor Test (TREAT) facility restart and the resumption of transient testing to support Accident Tolerant Fuel (ATF) characterization and other future fuels testing requirements. Currently the most mature vehicle design is the Multi-SERTTA (Static Environments Rodlet Transient Test Apparatuses), which can accommodate up to four concurrent rodlet-sized specimens under separate environmental conditions. Robust test vehicle design requires neutronics analyses to support design development, optimization of the power coupling factor (PCF) to efficiently maximize energy generation in the test fuel rodlets, and experiment safety analyses. Calculations were performed to support analysis of a near-final design of the Multi-SERTTA vehicle, the design process for future TREAT test vehicles, and establish analytical practices for upcoming transient test experiments. Models of the Multi-SERTTA vehicle containing typical PWR-fuel rodlets were prepared and neutronics calculations were performed using MCNP6.1 with ENDF/B-VII.1 nuclear data libraries. Calculation of the PCF for reference conditions of a PWR fuel rodlet in clean water at operational temperature and pressure provided results between 1.10 and 1.74 W/g-MW depending on the location of the four Multi-SERTTA units with the stack. Basic changes to the Multi-SERTTA secondary vessel containment and support have minimal impact on PCF; using materials with less neutron absorption can improve expected PCF values, especially in the primary containment. An optimized balance is needed between structural integrity, experiment safety, and energy deposition in the experiment. Type of medium and environmental conditions within the primary vessel surrounding the fuel rodlet can also have a significant impact on resultant PCF values. The estimated reactivity insertion worth into the TREAT core is impacted more by the primary and secondary Multi-SERTTA vehicle structure with the experiment content and contained environment having a near negligible impact on overall system reactivity. Additional calculations were performed to evaluate the peak-to-average assembly powers throughout the TREAT core, as well as the nuclear heat generation for the various structural components of the Multi-SERTTA assembly. Future efforts include the evaluation of flux collars to shape the PCF for individual Multi-SERTTA units during an experiment such as to achieve uniformity in test unit environmental conditions impacted by the non-uniform axial flux/power profile of TREAT. Upon resumption of transient testing, experimental results from both the Multi-SERTTA and Multi-SERTTA-CAL will be compared against calculational results and methods for further optimization and design strategies.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

TREAT neutronics analysis and design support, Part I: Multi-SERTTA

Experiment vehicle design is necessary in preparation for Transient Reactor Test (TREAT) facility restart and the resumption of transient testing to support Accident Tolerant Fuel (ATF) characterization and other future fuels testing requirements. Currently the most mature vehicle design is the Multi-SERTTA (Static Environments Rodlet Transient Test Apparatuses), which can accommodate up to four concurrent rodlet-sized specimens under separate environmental conditions. Robust test vehicle design requires neutronics analyses to support design development, optimization of the power coupling factor (PCF) to efficiently maximize energy generation in the test fuel rodlets, and experiment safety analyses. Calculations were performed to support analysis of a near-final design of the Multi-SERTTA vehicle, the design process for future TREAT test vehicles, and establish analytical practices for upcoming transient test experiments. Models of the Multi-SERTTA vehicle containing typical PWR-fuel rodlets were prepared and neutronics calculations were performed using MCNP6.1 with ENDF/B-VII.1 nuclear data libraries. Calculation of the PCF for reference conditions of a PWR fuel rodlet in clean water at operational temperature and pressure provided results between 1.10 and 1.73 W/g-MW depending on the location of the four Multi-SERTTA units with the stack. Basic changes to the Multi-SERTTA secondary vessel containment and support have minimal impact on PCF; using materials with less neutron absorption can improve expected PCF values, especially in the primary containment. An optimized balance is needed between structural integrity, experiment safety, and energy deposition in the experiment. Type of medium and environmental conditions within the primary vessel surrounding the fuel rodlet can also have a significant impact on resultant PCF values. The estimated reactivity insertion worth into the TREAT core is impacted more by the primary and secondary Multi-SERTTA vehicle structure with the experiment content and contained environment having a near negligible impact on overall system reactivity. Additional calculations were performed to evaluate the peak-to-average assembly powers throughout the TREAT core, as well as the nuclear heat generation for the various structural components of the Multi-SERTTA assembly. Future efforts include the evaluation of flux collars to shape the PCF for individual Multi-SERTTA units during an experiment such as to achieve uniformity in test unit environmental conditions impacted by the non-uniform axial flux/power profile of TREAT. Upon resumption of transient testing, experimental results from both the Multi-SERTTA and Multi-SERTTA-CAL will be compared against calculational results and methods for further optimization and design strategies. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Feasibility Study for Electrical Discharge Machining of Large DU-Mo Castings

U-10 wt. % Mo (U-10Mo) alloys are being developed as low enrichment monolithic fuel for the CONVERT program. Optimization of processing for the monolithic fuel is being pursued with the use of electrical discharge machining (EDM) under CONVERT HPRR WBS 1.2.4.5 Optimization of Coupon Preparation. The process is applicable to manufacturing experimental fuel plate specimens for the Mini-Plate-1 (MP-1) irradiation campaign. The benefits of EDM are reduced machining costs, ability to achieve higher tolerances, stress-free, burr-free surfaces eliminating the need for milling, and the ability to machine complex shapes. Kerf losses are much smaller with EDM (tenths of mm) compared to conventional machining (mm). Reliable repeatability is achievable with EDM due to its computer-generated machining programs.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Probing off-Hugoniot states in Ta, Cu, and Al to 1000 GPa compression with magnetically driven liner implosions

We report on a new technique for obtaining off-Hugoniot pressure vs. density data for solid metals compressed to extreme pressure by a magnetically driven liner implosion on the Z-machine (Z) at Sandia National Laboratories. In our experiments, the liner comprises inner and outer metal tubes. The inner tube is composed of a sample material (e.g., Ta and Cu) whose compressed state is to be inferred. The outer tube is composed of Al and serves as the current carrying cathode. Another aluminum liner at much larger radius serves as the anode. A shaped current pulse quasi-isentropically compresses the sample as it implodes. The iterative method used to infer pressure vs. density requires two velocity measurements. Photonic Doppler velocimetry probes measure the implosion velocity of the free (inner) surface of the sample material and the explosion velocity of the anode free (outer) surface. These two velocities are used in conjunction with magnetohydrodynamic simulation and mathematical optimization to obtain the current driving the liner implosion, and to infer pressure and density in the sample through maximum compression. This new equation of state calibration technique is illustrated using a simulated experiment with a Cu sample. Monte Carlo uncertainty quantification of synthetic data establishes convergence criteria for experiments. Results are presented from experiments with Al/Ta, Al/Cu, and Al liners. Symmetric liner implosion with quasi-isentropic compression to peak pressure ∼1000 GPa is achieved in all cases. These experiments exhibit unexpectedly softer behavior above 200 GPa, which we conjecture is related to differences in the actual and modeled properties of aluminum.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Impact of Spot Size and Beam-Shaping Devices on the Treatment Plan Quality for Pencil Beam Scanning Proton Therapy

Purpose: This study aimed to assess the clinical impact of spot size and the addition of apertures and range compensators on the treatment quality of pencil beam scanning (PBS) proton therapy and to define when PBS could improve on passive scattering proton therapy (PSPT). Methods and Materials: The patient cohort included 14 pediatric patients treated with PSPT. Six PBS plans were created and optimized for each patient using 3 spot sizes (∼12-, 5.4-, and 2.5-mm median sigma at isocenter for 90- to 230-MeV range) and adding apertures and compensators to plans with the 2 larger spots. Conformity and homogeneity indices, dose-volume histogram parameters, equivalent uniform dose (EUD), normal tissue complication probability (NTCP), and integral dose were quantified and compared with the respective PSPT plans. Results: The results clearly indicated that PBS with the largest spots does not necessarily offer a dosimetric or clinical advantage over PSPT. With comparable target coverage, the mean dose (D{sub mean}) to healthy organs was on average 6.3% larger than PSPT when using this spot size. However, adding apertures to plans with large spots improved the treatment quality by decreasing the average D{sub mean} and EUD by up to 8.6% and 3.2% of the prescribed dose, respectively. Decreasing the spot size further improved all plans, lowering the average D{sub mean} and EUD by up to 11.6% and 10.9% compared with PSPT, respectively, and eliminated the need for beam-shaping devices. The NTCP decreased with spot size and addition of apertures, with maximum reduction of 5.4% relative to PSPT. Conclusions: The added benefit of using PBS strongly depends on the delivery configurations. Facilities limited to large spot sizes (>∼8 mm median sigma at isocenter) are recommended to use apertures to reduce treatment-related toxicities, at least for complex and/or small tumors.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Automated contouring error detection based on supervised geometric attribute distribution models for radiation therapy: A general strategy

Purpose: One of the most critical steps in radiation therapy treatment is accurate tumor and critical organ-at-risk (OAR) contouring. Both manual and automated contouring processes are prone to errors and to a large degree of inter- and intraobserver variability. These are often due to the limitations of imaging techniques in visualizing human anatomy as well as to inherent anatomical variability among individuals. Physicians/physicists have to reverify all the radiation therapy contours of every patient before using them for treatment planning, which is tedious, laborious, and still not an error-free process. In this study, the authors developed a general strategy based on novel geometric attribute distribution (GAD) models to automatically detect radiation therapy OAR contouring errors and facilitate the current clinical workflow. Methods: Considering the radiation therapy structures’ geometric attributes (centroid, volume, and shape), the spatial relationship of neighboring structures, as well as anatomical similarity of individual contours among patients, the authors established GAD models to characterize the interstructural centroid and volume variations, and the intrastructural shape variations of each individual structure. The GAD models are scalable and deformable, and constrained by their respective principal attribute variations calculated from training sets with verified OAR contours. A new iterative weighted GAD model-fitting algorithm was developed for contouring error detection. Receiver operating characteristic (ROC) analysis was employed in a unique way to optimize the model parameters to satisfy clinical requirements. A total of forty-four head-and-neck patient cases, each of which includes nine critical OAR contours, were utilized to demonstrate the proposed strategy. Twenty-nine out of these forty-four patient cases were utilized to train the inter- and intrastructural GAD models. These training data and the remaining fifteen testing data sets were separately employed to test the effectiveness of the proposed contouring error detection strategy. Results: An evaluation tool was implemented to illustrate how the proposed strategy automatically detects the radiation therapy contouring errors for a given patient and provides 3D graphical visualization of error detection results as well. The contouring error detection results were achieved with an average sensitivity of 0.954/0.906 and an average specificity of 0.901/0.909 on the centroid/volume related contouring errors of all the tested samples. As for the detection results on structural shape related contouring errors, an average sensitivity of 0.816 and an average specificity of 0.94 on all the tested samples were obtained. The promising results indicated the feasibility of the proposed strategy for the detection of contouring errors with low false detection rate. Conclusions: The proposed strategy can reliably identify contouring errors based upon inter- and intrastructural constraints derived from clinically approved contours. It holds great potential for improving the radiation therapy workflow. ROC and box plot analyses allow for analytically tuning of the system parameters to satisfy clinical requirements. Future work will focus on the improvement of strategy reliability by utilizing more training sets and additional geometric attribute constraints.

60 APPLIED LIFE SCIENCES↗

Approximate solutions for diffusive fracture-matrix transfer: Application to storage of dissolved CO 2 in fractured rocks

Analytical solutions with infinite exponential series are available to calculate the rate of diffusive transfer between low-permeability blocks and high-permeability zones in the subsurface. Truncation of these series is often employed by neglecting the early-time regime. Here in this paper, we present unified-form approximate solutions in which the early-time and the late-time solutions are continuous at a switchover time. The early-time solutions are based on three-term polynomial functions in terms of square root of dimensionless time, with the first coefficient dependent only on the dimensionless area-to-volume ratio. The last two coefficients are either determined analytically for isotropic blocks (e.g., spheres and slabs) or obtained by fitting the exact solutions, and they solely depend on the aspect ratios for rectangular columns and parallelepipeds. For the late-time solutions, only the leading exponential term is needed for isotropic blocks, while a few additional exponential terms are needed for highly anisotropic rectangular blocks. The optimal switchover time is between 0.157 and 0.229, with highest relative approximation error less than 0.2%. The solutions are used to demonstrate the storage of dissolved CO 2 in fractured reservoirs with low-permeability matrix blocks of single and multiple shapes and sizes. These approximate solutions are building blocks for development of analytical and numerical tools for hydraulic, solute, and thermal diffusion processes in low-permeability matrix blocks.

54 ENVIRONMENTAL SCIENCES↗

Cross-sectoral impact of emerging technologies on U.S. manufacturing resilience and competitiveness

Introducing new technologies in one energy-intensive industry can affect how other industries operate and stay resilient, yet these cross-sector interactions are often underappreciated in conventional technology roadmaps. In practice, industrial systems do not evolve in isolation. They are linked through shared upstream and downstream dependencies, such as electricity and fuel supply, critical materials, transportation networks, and enabling infrastructure. As a result, large-scale technology deployment in one sector can reshape resource availability, infrastructure demand, and operational risk in others. These interdependencies mean that technology deployment decisions in one sector can create unintended bottlenecks or cascading benefits in others. Here, this article argues that a cross-sector, system-of-systems perspective is essential for evaluating and scaling emerging technologies in energy-intensive industries. By framing industrial transformation as an interconnected systems challenge rather than a set of isolated sectoral decisions, the study highlights how interdependence shapes technology feasibility, adoption pathways, and resilience outcomes. The article illustrates how cross-sector linkages can amplify both risks and benefits, and it emphasizes the importance of integrated planning approaches that account for shared dependencies, cascading impacts, and co-optimization opportunities. Adopting this broader perspective can support more robust technology roadmaps, improve strategic coordination across industries, and strengthen the long-term resilience of the industrial sector as a whole.

Nain, Preeti [Oak Ridge National Laboratory (ORNL)↗

The role of SAXS and molecular simulations in 3D structure elucidation of a DNA aptamer against lung cancer

Aptamers are short, single-stranded DNA or RNA oligonucleotide molecules that function as synthetic analogs of antibodies and bind to a target molecule with high specificity. Aptamer affinity entirely depends on its tertiary structure and charge distribution. Therefore, length and structure optimization are essential for increasing aptamer specificity and affinity. Here, we present a general optimization procedure for finding the most populated atomistic structures of DNA aptamers. Based on the existed aptamer LC-18 for lung adenocarcinoma, a new truncated LC-18 (LC-18t) aptamer LC-18t was developed. A three-dimensional (3D) shape of LC-18t was reported based on small-angle X-ray scattering (SAXS) experiments and molecular modeling by fragment molecular orbital or molecular dynamic methods. Molecular simulations revealed an ensemble of possible aptamer conformations in solution that were in close agreement with measured SAXS data. The aptamer LC-18t had stronger binding to cancerous cells in lung tumor tissues and shared the binding site with the original larger aptamer. The suggested approach reveals 3D shapes of aptamers and helps in designing better affinity probes.

59 BASIC BIOLOGICAL SCIENCES↗

Dopant site-dependent luminescence from rare-earth doped dibarium octafluorohafnate Ba 2 HfF 8 nanocubes for radiation detection

Development of new host materials containing heavy elements for radiation detection is highly desirable. In this work, dibarium octafluorohafnate, Ba 2 HfF 8 , doped with rare-earth ions, was synthesized as cube-shaped nanocrystals via a facile hydrothermal method. The host lattice contains two Ba 2+ crystallographic sites, and dopants on these sites exhibit site-dependent photoluminescence (PL), cathodoluminescence (CL) and X-ray excited radioluminescence (RL) characteristics. Single doping contents were optimized as 25 mol% Tb 3+ and 5 mol% Eu 3+ . In Ba 2 HfF 8 :Tb 3+ –Eu 3+ codoped nanocrystals, preferrable occupation of Eu 3+ and Tb 3+ at two different Ba 2+ sites in the host lattice was observed. The nanocubes exhibited enhanced emissions over micron sized particles. In PL, the presence of Tb3+ ions significantly enhanced the emission intensity of Eu 3+ ions due to energy transfer from the Tb 3+ to Eu 3+ ions, while under high-energy irradiation in CL or RL, Tb 3+ emission was intensified. X-ray induced RL with afterglow in seconds was observed. Finally, it was found that the codoped sample showed higher sensitivity than the singly doped sample, indicating that codoping is an effective strategy to develop a scintillator with this host structure for high-energy radiation detection.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗