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At least 73 records · Page 4

Make the Fastest Faster: Importance Mask Synthesis for Interactive Volume Visualization using Reconstruction Neural Networks

Visualizing a large-scale volumetric dataset with high resolution is challenging due to the substantial computational time and space complexity. Recent deep learning-based image inpainting methods significantly improve rendering latency by reconstructing a high-resolution image for visualization in constant time on GPU from a partially rendered image where only a portion of pixels go through the expensive rendering pipeline. However, existing solutions need to render every pixel of either a predefined regular sampling pattern or an irregular sample pattern predicted from a low-resolution image rendering. Both methods require a significant amount of expensive pixel-level rendering. In this work, we provide Importance Mask Learning (IML) and Synthesis (IMS) networks, which are the first attempts to directly synthesize important regions of the regular sampling pattern from the user’s view parameters, to further minimize the number of pixels to render by jointly considering the dataset, user behavior, and the downstream reconstruction neural network. Our solution is a unified framework to handle various types of inpainting methods through the proposed differentiable compaction/decompaction layers. Experiments show our method can further improve the overall rendering latency of state-of-the-art volume visualization methods using reconstruction neural network for free when rendering scientific volumetric datasets. Our method can also directly optimize the off-the-shelf pre-trained reconstruction neural networks without elongated retraining.

Large-scale data↗

Modernization of PLC-Based Control Systems at SNS

When the SNS site was built around 20 years ago, the Conventional Facilities (CF) control systems were de-signed using 2 communication protocols to allow pro-grammable logic controllers (PLCs) to interface with motors, variable frequency drives (VFDs), and remote input and output (I/O) devices. The protocol chosen to control motors and VFDs is DeviceNet, a CANbus-based protocol developed by Allen-Bradley, a subsidiary of Rockwell Automation. The protocol chosen to communi-cate with remote I/O is ControlNet, another protocol developed by Allen-Bradley. Both of these protocols are obsolete and present reliability and maintainability is-sues, particularly DeviceNet. As the Control Systems Section at SNS is working to modernize control systems throughout the machine, a major goal for PLC-based systems is to remove the obsolete communication proto-cols in favor of standard, ubiquitous Ethernet. To this end, any new VFDs installed use Ethernet communica-tion. Many VFDs are currently being replaced in the Central Utilities Building (CUB) and the Central Exhaust Facility (CEF) and are being removed from DeviceNet in favor of Ethernet communication. Planning is underway to retrofit Eaton Intelligent Technology motor control centers (MCCs) in the Target Building to remove particu-larly troublesome DeviceNet adaptors and replace them with Ethernet adaptors for each motor starter. The Con-trolNet network in the CUB has been demolished, with I/O drops integrated into a local Ethernet network, im-proving sustainability and maintainability.

Beaushaw, Isaiah [ORNL]↗

2023 Reftek Wrangler Digitizer Type Approval Evaluation

Sandia National Laboratories has tested and evaluated the Reftek Wrangler digitizer. The Wrangler digitizers are intended to record sensor output for seismic and infrasound monitoring applications. The purpose of this digitizer evaluation is to measure the performance characteristics in such areas as power consumption, input impedance, sensitivity, full scale, self-noise, dynamic range, system noise, response, passband, and timing. The Wrangler digitizers are being evaluated for potential use in the International Monitoring System (IMS) and On-site Inspection (OSI) components of Comprehensive Nuclear-Test-Ban Treaty (CTBT).

58 GEOSCIENCES↗

2023 Reftek Colt Seismometer Exploratory Evaluation

Sandia National Laboratories has tested and evaluated three Colt broadband seismometers designed and manufactured by Reftek. The purpose of this seismometer evaluation is to measure performance characteristics in areas such as power consumption, sensitivity, frequency response, full scale, self-noise, dynamic range, calibration system response, and passband. The Colt model of sensors are being evaluated to explore the potential for a future seismometer Type Approval process in the International Monitoring System (IMS) of the Comprehensive Nuclear-Test-Ban Treaty (CTBT).

47 OTHER INSTRUMENTATION↗

Algorithms and file structures to extend and enhance liquid chromatography and ion mobility mass spectrometry workflows (CRADA Final Report)

The purpose of this project was to continue supporting customizations of algorithms and raw data file structures to enhance software workflows for liquid chromatography (LC), mass spectrometry (MS) and ion mobility mass spectrometry (IM-MS)-based protein and metabolite characterization. PNNL worked with Agilent to design, implement, evaluate, and demonstrate new algorithms and integrated them as functionalities into the PNNL-PreProcessor software. The project augmented PNNL’s capabilities to analyze complex proteomics and metabolomics samples. These capabilities are directly beneficial to DOE and PNNL efforts to characterize and analyze these compounds in microbial and plant communities. The project assisted Agilent in further developing improved instrument-software solutions combining liquid chromatography and ion mobility with mass spectrometry for widespread applications in life sciences and other fields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

2023 T120 Horizon and Slim Posthole Seismometer Exploratory Evaluation

Sandia National Laboratories has tested and evaluated a suite of four T120 broadband seismometers designed and manufactured by Nanometrics. Specifically, two T120 Horizon V2 sensors, one T120 Horizon V1 sensor and one T120 Slim Posthole (PH) sensor were evaluated. The purpose of this seismometer evaluation is to measure performance characteristics in areas such as power consumption, sensitivity, frequency response, full scale, self-noise, dynamic range, calibration system response, and passband. The T120 model of sensors are being evaluated to explore the potential for a future seismometer Type Approval process in the International Monitoring System (IMS) of the Comprehensive Nuclear-Test-Ban Treaty (CTBT).

47 OTHER INSTRUMENTATION↗

MaPSA Quality Control and AI-Enhanced Grading For the CMS Phase-II Tracker Upgrade

The Compact Muon Solenoid (CMS) experiment will undergo changes as part of the Large Hadron Collider upgrade. The CMS tracker will be upgraded to cope with the new radiation environment and to provide tracking at the first level trigger. This upgrade features a new type of silicon module called PS Module, which combines a Pixel sensor and a Strip sensor in the same module. The pixel portion of the PS module has a sensor bump bonded to 16 Macro Pixel ASICs (MPA) to form a Macro Pixel Sub Assembly (MaPSA). At Fermilab, MaPSAs are tested for quality control before being assembled with the strip sensors, readout and service electronics to form a PS Module. All of this test data is stored in a centralized database, and is used to grade the final module to determine if it will be installed in the detector. The Phase II Outer Tracker Analyzer of Test Outputs (POTATO) is the software that processes this data and determines the module grades. Using recent technologies, an AI agent is being im plemented into POTATO in order to allow users to more efficiently sort through the large amounts of analysis data and ensure that only the user specified data is being considered. This poster will display the process of testing a MaPSA, how that test data is relevant to module assembly and grading, and how the POTATO grading tool is being improved with the use of an embedded AI agent.

Gzamouranis, Olivia [Purdue U.]↗

Developing a Vaccine Platform for a Balanced Mucosal Immune Response (CB11446), Project Report: Year 1

Mucosal vaccines can elicit protective immune responses at the infection site of respiratory or aerosolized pathogens. Achieving balanced mucosal and systemic responses is a key challenge in the design of mucosal vaccines, especially in terms of developing a broadly applicable vaccine delivery platform amenable to a wide range of subunit vaccine antigens. The overarching goal of the project entitled “Developing a Vaccine Platform for a Balanced Mucosal Immune Response” is to develop a pathogen-agnostic vaccine platform that elicits robust and balanced mucosal immune responses upon intranasal vaccination, in the context of a nanolipoprotein particle (NLP) platform. In year one, we investigated NLP-based vaccine formulations incorporating select immune adjuvants (Monophosphoryl Lipid A (MPLA), FSL-1, L18-muramyl dipeptide (MDP), and cholesterol-tagged ODN2006 (cCpG)) along with antigens relevant to plague (LcrV), tularemia (IglC), and Ebola virus (GP). We demonstrated the ability to prepare, characterize, and quantify these formulations. We then carried out studies in vivo using a BALB/c mouse model, comparing intranasal and intramuscular administration and systematically evaluated the resulting mucosal and systemic immune responses using ELISpot and ELISAs. All proposed tasks (Table 1) were completed within the twelve-month base period, and the established go/no go metric was successfully achieved. Numerous adjuvant:LcrV:NLP formulations were found to have statistically significant increases in IgA titers in serum and/or lung upon IN administration (compared to IM administration), while also producing robust IgG responses in serum. Some formulations also showed significant IFNγ responses using restimulated splenocytes. The data collected during the base period provide valuable insights for the future design of safe and effective mucosal subunit vaccines while also highlighting areas of research that merit further investigation.

59 BASIC BIOLOGICAL SCIENCES↗

Thermal Compton Scattering of Electron Beams on Blackbody Photons: A Monte Carlo Event Generator for Multi-Turn Tracking at the Electron-Ion Collider

Compton scattering of ultra-relativistic electrons on thermal (blackbody) photons is typically a subdominant process in electron storage rings, but at sufficiently high electron energy and low residual gas pressure it can become competitive with beam-gas scattering and contribute to dis tributed losses and backgrounds. We present a self-contained Monte Carlo event generator for thermal Compton scattering designed for integration into multi-turn tracking workflows. The im plementation follows H. Burkhardt’s proposal method: trial scattering angles are sampled from the Thomson differential cross section and accepted/rejected using the Klein-Nishina to Thomson ratio, yielding the correct Compton spectrum while retaining simple absolute-rate normalization. Ther mal photon energies are sampled from the blackbody photon-number spectrum via an exact mixture representation.

43 PARTICLE ACCELERATORS↗

Development and implementation of high-throughput proteomic and metabolomics assays by using advanced chromatographic and mass spectrometric systems (CRADA Final Report)

The mission of this CRADA with Agilent was to couple powerful MS platforms (QQQ, IM-QTOFMS) with Agilent’s novel Ultra-High-Performance Liquid Chromatography (UHPLC) fast metabolomic workflows and perform ABF Machine Learning (ML) to generated datasets. Agilent transferred UHPLC methods to PNNL and LBNL and methods were implemented and demonstrated in both labs, achieving total acquisition times of < 10 min. Metabolites analyzed using Agilent’s shared methods included metabolites from central carbon metabolism, common across hosts, and metabolites unique to engineered strains. Standards were acquired in an UHPLC-Drift Tube Ion Mobility Mass Spectrometer (DTIMS) system for the first time within the context of ABF and methods were optimized based on Agilent’s protocols. Samples from ABF hosts Pseudomonas putida, Aspergillus pseudoterreus, Aspergillus niger and Rhodosporidium toruloides were analyzed using the UHPLC-DTIMS platform for a total of 276 runs. A data analysis workflow compatible with the Experimental Data Depot (EDD) and completely shareable was developed for the acquired UHPLC-DTIMS data. Samples were analyzed using a Data Independent Acquisition Approach (DIA), which for most of the standards provided more transitions therefore increasing detection confidence. Using the data acquired by PNNL, LBNL, and Agilent’s specifications from previous ML projects, SNL applied an ensemble ML strategy to pick the best performing model for automated LC-method selection. Finally, with the contribution of the participant labs and Agilent, SNL developed an Automated Method Selection (AMS) software tool to predict the best liquid chromatography method for analysis of any new molecules of interest. Samples with novel pathways and new metabolite targets of interest are generated at a high pace in the ABF. Overall, the project advanced rapid metabolomics by combining liquid chromatography, ion mobility spectrometry, and data-independent mass spectrometry with machine learning. This multidimensional approach uses retention time, collision cross-section, precursor mass, and fragment-ion information to distinguish chemically similar metabolites that can be difficult to resolve using conventional liquid- or gas-chromatography methods. The resulting workflow also provided automated metabolite-identification error estimates, addressing a recognized need for statistical confidence measures in metabolomics.

Petzold, Christopher [Lawrence Berkeley National L↗

Photoproduction of K0K0-bar with the GlueX Experiment

In this dissertation, we study photoproduction of K0 ?K 0 through the KSKLp and KSKSp ?nal states with the GlueX Phase-I (GlueX-I) data set. We measure the spin-density matrix elements (SDMEs) and di?erential cross section of ?(1020) ! KSKL to better understand photoproduction of light vector mesons. A mass independent Partial Wave Analysis (PWA) of the KSKL and KSKS meson spectrum below 2 GeV is also undertaken to study the meson spectrum with JPC = even++ and odd??. The ?(1020) di?erential cross section is measured at E = 8:2 ? 8:8 GeV and ?t = 0:15 ? 1:00 GeV2. The di?erential cross section is well described by an exponential decay with slope 4:44?0:01 GeV?2 and the integrated cross section is determined to be 295:7?0:4 nb, only statistical uncertainties are quoted. Both measurements are consistent and far more precise than the previous measurement by Ballam et al. [1]. The ?(1020) SDMEs were measured in nine bins of ?t in the same range. At low ?t, we ?nd the data were consistent with s-channel helicity conservation, SCHC, i. e. the only non-zero SDMEs were ?1 1?1 = ?Im(?2 1?1) = 1=2. At higher ?t, the SDMEs deviate from SCHC and the measurements indicate this is due to natural parity exchange since we observe that the SDMEs are consistent with zero unnatural exchange. We also ?find that the contribution from helicity double-flip amplitudes is consistent with zero. The measured SDMEs are in poor agreement with theoretical predictions put forward by JPAC [35]. These measurements will serve as input to re?ne models of production processes, which will be essential for the interpretation of possible signals of exotic mesons in GlueX. Analysis of the spectrum above the ?(1020) indicates the presence of at least three particles at ? 1:50, ? 1:75, and 2:20 GeV. We employ simple parametrizations of the resonance line shape based on relativistic Breit-Wigner functions considering cases with and without interference. The resonance at ? 1:50 GeV is not identifi?ed as any specifi?c resonance, but could be due to interference between the ?(1450) and !(1420). Our models favor the resonance at ~1:75 GeV as the X(1750) rather than the ?(1680). We ?find that introducing a third Breit-Winger into the models improves the ?t quality with the ?2/ndf going from 1.75 to 1.59 and 1.41 to 1.18 for models without and with interference respectively. A PWA of the KSKL spectrum indicates that the spectrum is consistent with exclusively spin-1 contribution up to ? 1:6 GeV. Above ? 1:6 GeV we ?find evidence for a small spin-3 contribution. We also ?nd that the spectrum predominantly positive reflectivity up to ? 1:6 GeV, after which the spectrum becomes a nearly equal mix of both. The KSKS system shows a rich spectrum with multiple resonance structures but is more statistically limited than the KSKL system. Modelling the line shape we ?find evidence at greater than 10? level in favor of a resonance at ? 1:75 GeV. The model parameters suggest this resonance is the f0(1710). The PWA of the KSKS system was inconclusive. However, using a small set of amplitudes suggests that the spin-2 contribution to the spectrum is primarily in the range 1:2?1:6 GeV, where f2(1270), a2(1320) and f02 (1525) are expected.

Linera, Gabriel Rodriguez↗

Application of Indirect Quantification of 133mXe to Calibration of HPGe Detector

The INL Noble Gas Laboratory provides intercomparison samples for the noble gas analysis laboratories as part of the CTBTO PrepCom IMS. Xe-133m is one of the four relevant radionuclides in nuclear explosion monitoring. Without commercially available Xe-133m calibration standards laboratories must create and improve calibration methods. Improvements in calibration methods at the INL NGL benefit the CTBTO PrepCom through better certified values for Xe-133m intercomparison samples. Calibration of High Purity Germanium detectors for Xe-133m quantification is complicated by the coexistence of Xe-133 in samples under analysis. Xe-133 is typically produced in larger quantities, has higher gamma emission probabilities, and its gammas are detected more efficiently than Xe-133m. Xe-133m activity of samples can be indirectly inferred through the 133:133m activity ratio of a batch of material, and the Xe-133 counts in the assay of a small aliquot of the same material. This indirect quantification method can be leveraged to perform detector calibrations for quantification of Xe-133m. Calibrations can be performed by inferring the Xe-133m to certify the sample, and direct counting to determine detector efficiency. A comparison of method results will be shown.

133mXe↗

Ligand‐Induced Crystallization Control in MAPbBr 3 Hybrid Perovskites for High Quality Nanostructured Films

AbstractControlling the formation of hybrid perovskite thin films is crucial in obtaining high‐performance optoelectronic devices, since factors like morphology and film thickness have a profound impact on a film's functionality. For light‐emitting applications grain sizes in the sub‐micrometer‐range have previously shown enhanced brightness. It is therefore crucial to develop simple, yet reliable methods to produce such films. Here, a solution‐based synthesis protocol for the on‐substrate formation of MAPbBr3 (MA = methylammonium) nanostructures by adding the bifunctional rac‐3‐aminobutyric acid to the precursor solution is reported. This synthesis route improves key optical properties such as photoluminescence quantum yields and life times of excited states by inducing a controlled slow‐down of the film formation and suppressing agglomeration effects. In situ spectroscopy reveals a delayed and slowed down crystallization process, which achieves synthesis of perovskite structures with much reduced defect densities. Further, aggregation can be controlled by the amount of amino acid added and adjusting the synthesis protocol allows to produce cubic crystallites with targeted size from nanometer to micrometer scales. The nanocrystalline MAPbBr3 samples show enhanced amplified spontaneous emission (ASE) intensities, reduced ASE thresholds and purer ASE signals, compared to pristine films, even under intense optical driving, making them promising structures for lasing applications.

36 MATERIALS SCIENCE↗

Effect of lithium diffusion into Ga 2 O 3 thin films

The integration of lithium based compounds (e.g., Li:NiO/Ga 2 O 3 , LiGa 5 O 8 /Ga 2 O 3 ) in Ga 2 O 3 based pn-heterojunctions raises concerns about interface stability, i.e., Li diffusion effects on Ga 2 O 3 properties. In this work the ex-situ diffusion of Li is investigated in three different Ga 2 O 3 epilayers systems [(001) κ-Ga 2 O 3 and (−201) β-Ga2O3 heteroepitaxy on (001) α-Al 2 O 3 , and (010) β-Ga 2 O 3 homoepitaxy] at relevant temperatures for the synthesis / processing of Li-based epilayers. It is here experimentally demonstrated and quantified the Li diffusion in all the investigated Ga 2 O 3 epilayers systems and Li bulk (D Li,bulk ) and 2D defects (D Li,2D ) diffusion coefficients are provided. In the case of the (010) β-Ga 2 O 3 homoepitaxial layer (nominally free of structural defects), hybrid functional theory calculations foresee a diffusion mechanism mediated by Ga vacancies (VGa). Moreover, in the (010) β-Ga 2 O 3 homo-layer a significant effect on its functional properties (e.g., additional Raman vibrational modes, induced conductivity in an otherwise insulating sample) upon the Li-diffusion process is experimentally highlighted and tentatively related to the passivation of acceptor defects (i.e., formation of V Ga -nLi complexes).

Defects↗

Database and deep-learning scalability of anharmonic phonon properties by automated brute-force first-principles calculations

Understanding the anharmonic phonon properties of crystal compounds—such as phonon lifetimes and thermal conductivities—is essential for investigating and optimizing their thermal transport behaviors. These properties also impact optical, electronic, and magnetic characteristics through interactions between phonons and other quasiparticles and fields. In this study, we develop an automated first-principles workflow to calculate anharmonic phonon properties and build a comprehensive database encompassing more than 6500 inorganic compounds. Utilizing this dataset, we train a graph neural network model to predict thermal conductivity values and spectra from structural parameters, demonstrating a scaling law in which prediction accuracy improves with increasing training data size. High-throughput screening with the model enables the identification of materials exhibiting extreme thermal conductivities—both high and low. The resulting database offers valuable insights into the anharmonic behavior of phonons, thereby accelerating the design and development of advanced functional materials.

Ohnishi, Masato [University of Tokyo (Japan); Inst↗

The 2026 guided acoustic waves roadmap

Guided elastic waves are a truly cross-disciplinary key enabling technology. For more than five decades, surface acoustic wave (SAW) and bulk acoustic wave devices find widespread applications. Nowadays, different types of guided elastic waves cover the wide spectrum of applications spanning from quantum technologies to the life sciences, from controlling single excitations to macroscopic collective states in condensed matter. Six years after the first 2019 SAW roadmap, we believe it is time to make a step back and take a fresh look at the status of the field and its future challenges. Since the first roadmap in 2019, the spectrum clearly expanded and this new edition presents a current snapshot of the status of this vibrant field and prospects for potential future developments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Self‐Trapped Hole Migration and Defect‐Mediated Thermal Quenching of Luminescence in α‐ and β‐Ga 2 O 3

Gallium oxide (Ga 2 O 3 ) is a promising ultrawide bandgap semiconductor for next-generation power electronics and optoelectronic devices. Here, temperature-dependent and polarization-resolved photoluminescence excitation spectroscopy data, complemented by hybrid-functional first-principles calculations, are presented, and a microscopic model is derived that explains the interplay of hole migration, defect trapping, and carrier recombination at defects underlying thermal quenching phenomena in α- and β-Ga 2 O 3 . In α-Ga 2 O 3 , the UV emission is attributed to self-trapped holes, while the blue luminescence arises from defect-related processes, including gallium split vacancies and their defect complexes. Calculations reveal an energy barrier of 88 meV for self-trapped hole migration in α-Ga 2 O 3 , consistent with activation energies from temperature-dependent photoluminescence. This enables efficient trapping by defects, enhancing blue luminescence and quenching UV emission. In β-Ga 2 O 3 , a higher migration barrier of 0.36 eV reduces the defect trapping, allowing the UV self-trapped hole emission to remain intense, with blue luminescence emerging only at elevated temperatures. These results establish a direct link between self-trapped hole migration, defect trapping, and thermal quenching of emission in both phases. The insights advance the understanding of carrier dynamics in ultrawide bandgap oxides and may guide defect engineering for high-performance functional devices.

Hajizadeh, Nima [Leibniz-Institut im Forschungsver↗