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At least 487 records · Page 27

Characterization of commercial vehicles’ start-up operations from in-use data

Diesel engines produce disproportionate levels of emissions when the engine and after-treatment systems are operating at low temperatures. This situation arises most commonly when the vehicle is first started after overnight. To quantify emissions attributable to vehicle starts, a sizable collection of on-road commercial vehicle operating data is analyzed to identify start-up events and inspect associated emissions. Data was obtained from the National Renewable Energy Laboratory’s (NREL’s) Fleet DNA and from the Center for Environmental Research & Technology (CE-CERT). Included are 500 + diesel vehicles with more than 42,000 recorded days, drawn from 25 vocational categories across the United States. Analysis shows that vehicle behavior, in terms of engine cold- and warm-operation, starts per day, soak time, and warm-up duration, differs significantly between vehicle vocations. Also, weighting factors for cold- and hot-starts currently used in the U.S. Environmental Protection Agency’s Federal Test Procedure (FTP) for heavy-duty emissions certification accurately represent real-world operations. Although the FTP includes a comparable fraction of cold operation, the hot fraction is much shorter than real-world operation due to limited test duration. The investigation also revealed that real-world engines operate for a significant amount of time when the engine coolant is in the “hot-stabilized” region, but the selective catalytic reduction (SCR) temperature is below its effective operating temperature of 200 °C. Of the vehicles under investigation, almost 20% of their operational time is within this condition. Therefore, novel approaches to raise and maintain SCR temperature are highly required to further reduce engine emissions.

33 ADVANCED PROPULSION SYSTEMS↗

Confinement of Lewis Acid–Base Sites by Microporous Silica Layers on Titania for Enhanced Alkanol Dehydration Reactivity

Alkanol dehydration offers a pathway to upgrade biomass-derived short-chain oxygenates into alkenes, essential chemical building blocks widely used in industrial applications. Transition metal oxides with Lewis acid-base site pairs are attractive catalysts due to their high reactivity and cost-effectiveness. This work demonstrates a synthetic pathway to manipulate local environments around active Lewis acid-base pairs in anatase TiO 2 to enhance their reactivity in alkanol dehydration. Microporous SiO 2 layers with an average pore diameter of ~0.6 nm and a controlled thickness of 0.8-33 nm are deposited on anatase TiO 2 powders by using a molecular templated SiO 2 deposition method. The Lewis acid-base strength of accessible Ti-O pairs remains unchanged, as shown by temperature-programmed surface reactions of surface-bound formic acid-derived species and temperature-programmed desorption of pyridine. However, measured alkanol dehydration rates on confined Ti-O pairs are much higher (by up to 7-fold) than those on TiO 2 . The extent of rate enhancements depends on the reactant size and functional group positioning, suggesting that the rate enhancements reflect the interactions between the guest molecules (reactants and transition states) and the surrounding SiO 2 micropore environments. By providing a detailed synthetic procedure to tailor the local environments around active sites in bulk oxides, this approach offers an additional avenue for enhancing catalytic performance.

09 BIOMASS FUELS↗

Six Degrees of Freedom (6DOF) Simulations of Supersonic Fragment Trajectories

In this report a process using existing technologies at Sandia National Laboratories (SNL) to simulate the six degrees-of-freedom (6DOF) trajectories of explosive fragments is described and tested. First, aerodynamic forces and moments as functions of orientation are computed using the SIERRA/Aero supersonic flow solver. The forces and moments are normalized and tabulated in a database. Second, this the aerodynamic coefficient database is imported into a 6DOF rigid body dynamics solver in order to compute the resulting trajectories. The supersonic flow simulations are tested for simple geometries and show good agreement with literature values. The simulation procedure is then demonstrated for an example fragment. The results of the example fragment indicate that the distance traveled in the early ight (from 2.5 km/s until decreasing down to 1 km/s) varies widely depending on the initial orientations. The fragment trajectory distribution and steady tumbling rate is explored. The study indicates that a 6DOF analysis will yield information about a spread of possible trajectories, while using an average drag coefficient can only represent the most likely trajectory.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Modeling of Stress and Temperature Effects on Creep of Reduced Activation Ferritic-Martensitic Steel Alloy F82H (Tertiary Creep Modeling of RAFM Steel)

A Bayesian optimization procedure is presented for calibrating a multi-mechanism micromechanical model for creep to experimental data of F82H steel. Reduced activation ferritic martensitic (RAFM) steels based on are the most promising candidates for some fusion reactor structures. Although there are indications that RAFM steel could be viable for fusion applications at temperatures up to 600 °C, the maximum operating temperature will be determined by the creep properties of the structural material and the breeder material compatibility with the structural material. Due to the relative paucity of available creep data on F82H steel compared to other alloys such as Grade 91 steel, micromechanical models are sought for simulating creep based on relevant deformation mechanisms. As a point of departure, this work recalibrates a model form that was previously proposed for Grade 91 steel to match creep curves for F82H steel. Due to the large number of parameters (9) and cost of the nonlinear simulations, an automated approach for tuning the parameters is pursued using a recently developed Bayesian optimization for functional output (BOFO) framework [1]. Incorporating extensions such as batch sequencing and weighted experimental load cases into BOFO, a reasonably small error between experimental and simulated creep curves at two load levels is achieved in a reasonable number of iterations. Validation with an additional creep curve provides confidence in the fitted parameters obtained from the automated calibration procedure to describe the creep behavior of F82H steel at 600 °C. The model is further extended using a temperature dependent scaling law approach to simulate creep response between 550 °C and 650 °C. The efficacy of this extension is compared with the previously used scaling law approach for Grade 91 steel.

36 MATERIALS SCIENCE↗

Summary of Alloy 617 and Alloy 709 Elevated Temperature Crack Growth Test Results from the Planned FY24 Crack Growth Test Activities

This report covers the results from crack growth rate testing performed at Idaho National Laboratory in the fiscal year 2024. It includes two creep crack growth rate tests and two creep-fatigue crack growth rate tests. Results are shown for each of these tests, included crack growth measured during the test using direct current potential drop, and measurements based off of the fracture surface. Load line displacement, as well as load, were also collected during the tests. Detailed analysis of the results will continue into the next fiscal year, however, a number of potential improvements to the equipment and testing procedures were identified that will increase testing reliability and throughput, as well as decrease complications with the analysis.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Design Considerations for Distributed Energy Resource Honeypots and Canaries

There are now over 2.5 million Distributed Energy Resource (DER) installations connected to the U.S. power system. These installations represent a major portion of American electricity critical infrastructure and a cyberattack on these assets in aggregate would significantly affect grid operations. Virtualized Operational Technology (OT) equipment has been shown to provide practitioners with situational awareness and better understanding of adversary tactics, techniques, and procedures (TTPs). Deploying synthetic DER devices as honeypots and canaries would open new avenues of operational defense, threat intelligence gathering, and empower DER owners and operators with new cyber-defense mechanisms against the growing intensity and sophistication of cyberattacks on OT systems. Well-designed DER canary field deployments would deceive adversaries and provide early-warning notifications of adversary presence and malicious activities on OT networks. In this report, we present progress to design a high-fidelity DER honeypot/canary prototype in a late-start Laboratory Directed Research and Development (LDRD) project.

24 POWER TRANSMISSION AND DISTRIBUTION↗

An efficient hybrid downscaling framework to estimate high-resolution river hydrodynamics

Flow depth and velocity are the most important hydrodynamic variables that govern various river functions, including water resources, navigation, sediment transport, and biogeochemical cycling. Existing high-resolution flow depth simulations rely on either computationally expensive river hydrodynamic models (RHMs) or data-driven models with formidable training costs, whereas data-driven modeling of flow velocity has rarely been explored. Here, using the hybrid Low-fidelity, Spatial analysis, and Gaussian process learning (LSG) model, we developed a downscaling approach to construct high-resolution flow depth and velocity from a two-dimensional (2-D) RHM simulation at coarse resolution. The LSG models were trained and tested in an urban watershed in Houston using two different hurricane-driven flood events. The high-resolution (as fine as 30 m resolution) and low-resolution (mostly 1000 m resolution) meshes include 664 724 and 14 536 grid cells, respectively. The results showed that through downscaling, the simulation errors were reduced to less than one-fourth and one-third of the errors of the low-resolution 2-D RHM for flow depth and velocity, respectively. Our analysis further revealed that the dominant uncertainty sources of the downscaled hydrodynamics are different, with flow velocity dominated by the dimensionality reduction error, which we reduced by using a regionalized training procedure. The downscaling approach achieves an 84-fold acceleration in computational time compared to the high-resolution 2-D RHM, making high-fidelity ensemble flood modeling feasible. More importantly, the developed method provides an opportunity to couple large-scale hydrodynamical processes with local physical, chemical, and biological processes in river models.

Tan, Zeli [Pacific Northwest National Laboratory (↗

SITCOMTN-164: AnaCal Shear Profile of Abell 360 in LSSTComCam Data Preview 1

This technote presents the measurement of the weak-lensing shear profile for the Abell 360 galaxy cluster using LSSTComCam data processed with the AnaCal pipeline. We detail the procedures involved in bright-star masking, source selection, and the estimation of tangential and cross shear around the cluster center. The resulting shear profiles provide key insights into the mass distribution of Abell 360 and demonstrate the capabilities of AnaCal in processing early LSST data, with the tangential shear profile detected at 5σ significance.

79 ASTRONOMY AND ASTROPHYSICS↗

Using the CAP88 Plume Model & Dose Assessment Code for the FTWC Project

The Environmental Protection & Compliance Division (EPC) uses the Clean Air Act Assessment Package – 1988 (CAP88) plume model and dose assessment code to evaluate measured emissions or projected emissions of airborne radionuclides from Los Alamos National Laboratory (LANL) facilities. This software package will use facility data (e.g., stack height and exit velocity), emissions parameters (chemical form and quantity), and environmental data (wind speed and direction) to predict downwind concentrations of radioactive material and subsequent dose to a member of the public at that location. The United States Environmental Protection Agency (EPA) has approved CAP88 for use in demonstrating compliance with the Radionuclide NESHAP2, that portion of the Clean Air Act addressing emissions of airborne radioactive material from Department of Energy facilities. EPC Division has two procedures which discuss the use of CAP88.

61 RADIATION PROTECTION AND DOSIMETRY↗

Two-step spin-coating of vacancy-ordered double perovskites enables growth of thin films for electronic devices

Vacancy-ordered double perovskites (VODPs), such as Cs 2 TeX 6 (X = Cl, Br, I), are lead-free alternatives to conventional metal-halide perovskites (MHPs). One limitation of VODPs is the lack of processes to form thin films relevant for physical characterization and electronic devices. A two-step spin-coating method was developed for synthesizing high-quality films of Cs 2 TeBr 6 . Independently depositing CsBr and TeBr 4 enables high precursor concentrations and control over crystallization kinetics. By optimizing the spin-coating parameters, conversion of precursors to phase pure films was observed using structural and surface characterization methods. The growth of mixed-halide systems was investigated using alternative salts including CsCl and CsI. The formation of halide alloys was found to depend on the existence of routes to byproducts. Lastly, single carrier diodes of Cs2TeBr6 were designed following valence band characterization with photoelectron spectroscopy. Temperature-dependent space-charge-limited current measurements revealed that transport occurs by hopping and the hole mobility is 3.2 × 10 −5 cm 2 V −1 s −1 near room temperature. As a result, the insights from the 2-step procedure provide a pathway towards making semiconducting devices from VODPs.

Kuklinski, Owen [University of California, Santa B↗

Multi-fidelity is the new annealing: Gradient-free learning of posterior densities via transport maps

To tackle concentrated, multi-modal Bayesian inference problems, we propose using an annealed importance sampling procedure. To do this, we form a sequence of annealed distributions and employ transport maps to act as a surrogate of each distribution. This process is demonstrated on a few examples, favorably showing its potential for efficiently parallelizing the process of PDE evaluations and allowing for surrogates that we can sample from exactly.

van Bloemen Waanders, Bart G [Sandia National Labo↗

Test GammaPix™ Radiation Detection Software with Smartphones

GammaPix™ is a smartphone application that uses smartphone cameras to detect ionizing radiation. Brookhaven National Laboratory (BNL) evaluated the performance of the software in detecting radioactive materials. For this purpose, a series of tests were conducted at the Radiation Calibration Facility Annex at BNL. The experiments included dose measurements with three types of NIST-traceable calibration sources, 60Co, 241Am, and 137Cs. The recorded results by GammaPix™ were compared with the values measured by calibrated dosimeters to determine the detection thresholds. Several selected models of iPhones and Android cell phones with different pixel sizes and resolution were tested. In this paper, we present the test procedures and discuss the test results.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Towards a unified nonlocal, peridynamics framework for the coarse-graining of molecular dynamics data with fractures

Molecular dynamics (MD) has served as a powerful tool for designing materials with reduced reliance on laboratory testing. However, the use of MD directly to treat the deformation and failure of materials at the mesoscale is still largely beyond reach. In this work, we propose a learning framework to extract a peridynamics model as a mesoscale continuum surrogate from MD simulated material fracture data sets. Firstly, we develop a novel coarse-graining method, to automatically handle the material fracture and its corresponding discontinuities in the MD displacement data sets. Inspired by the weighted essentially non-oscillatory (WENO) scheme, the key idea lies at an adaptive procedure to automatically choose the locally smoothest stencil, then reconstruct the coarse-grained material displacement field as the piecewise smooth solutions containing discontinuities. Then, based on the coarse-grained MD data, a two-phase optimization-based learning approach is proposed to infer the optimal peridynamics model with damage criterion. In the first phase, we identify the optimal nonlocal kernel function from the data sets without material damage to capture the material stiffness properties. Then, in the second phase, the material damage criterion is learnt as a smoothed step function from the data with fractures. As a result, a peridynamics surrogate is obtained. As a continuum model, our peridynamics surrogate model can be employed in further prediction tasks with different grid resolutions from training, and hence allows for substantial reductions in computational cost compared with MD. We illustrate the efficacy of the proposed approach with several numerical tests for the dynamic crack propagation problem in a single-layer graphene. Our tests show that the proposed data-driven model is robust and generalizable, in the sense that it is capable of modeling the initialization and growth of fractures under discretization and loading settings that are different from the ones used during training.

97 MATHEMATICS AND COMPUTING↗

Demonstration of a diamond anvil cell platform at the Linac Coherent Light Source: Capabilities and Outlook

A novel x-ray free electron laser (XFEL) diffraction setup for use with diamond anvil cells (DACs) at the Linac Coherent Light Source (LCLS) is described. Using the new diamond window at the Matter at Extreme Conditions (MEC) instrument, it allows hard x-ray experiments on DACs to be performed in air. The platform is described along with alignment and calibration procedures and details of the x-ray beam and diagnostics. Example data are presented, including a reversible XFEL induced phase transition in CsPbI3. The DAC setup was commissioned at MEC, but is applicable to most LCLS instruments where the unique pulse structures available at LCLS offer access to new ultrafast experimental techniques at high pressure.

Diamond Anvil Cells, LCLS, XFEL, High-Pressure↗

Status and results from the CUORE experiment

The Cryogenic Underground Observatory for Rare Events (CUORE) is a tonne-scale cryogenic experiment located at the Laboratori Nazionali del Gran Sasso that exploits bolometric technique to search for neutrinoless double beta decay [0$vββ$] of 130 Te. The detector consists of a segmented array of 988 natural TeO 2 cubic crystals arranged in a cylindrical compact structure of 19 towers. The detector construction was completed in August 2016 and data taking started in Spring 2017. Here, we present a brief description of the bolometric technique for rare events search and the CUORE detector, then we concentrate on the data analysis results. In this respect, we focus on the procedure for data processing and on the first 0$vββ$ results we obtained from a total TeO 2 exposure of 86.3 kg · yr. Next, we illustrate the main background sources and the CUORE background model, from which we obtain the most precise measurement of 130 Te 2$vββ$ half-life to date. Finally, we discuss the improvements achieved with 2018 and 2019 detector optimization campaigns and the current perspectives of our experiment.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

ERDE: The Earth-Field Resonance Detection and Evaluation Devices

Researchers at Los Alamos have developed the Earth-field Resonance Detection and Evaluation devices, or ERDE (German for “Earth”) which brings portable chemical analysis and identification into the field. ERDE uses the Earth’s magnetic field to perform nuclear magnetic resonance measurements without the need for sample preparation, costly cryogens, or calibration procedures, meaning it is extremely user-friendly. In fact, using the Earth’s magnetic field allows detection and identification of chemical species through non-magnetic pipes without sampling, reducing the likelihood of costly biofouling. This innovative new device brings together these outstanding benefits to improve processes in the detection of noxious chemicals in water supplies as well as the identification of toxic materials anywhere. There are two fully-functional ERDE prototypes and efforts are underway to miniaturize the system further for improved portability, increased sensitivity, and expanded capabilities. The Laboratory is seeking qualified licensing or CRADA partners to finalize development of this system.

47 OTHER INSTRUMENTATION↗

Dynamic Instructions for Lock-out Tag-out

Lock-out tag-out (LOTO) instructions protect personnel from unex-pected re-energization or start-up of equipment that is under maintenance. Even though there is rigorous training associated with LOTO activities, incidents still occur. Idaho National Laboratory is researching and developing dynamic LOTO instructions, which supports automatic place keeping, personnel working on mul-tiple instructions, and multiple work groups completing the same instructions. Researchers identified user needs through subject matter expert interviews, ob-servations, and classroom training. Failing to identify potential hazards during LOTO can cause injury or death to personnel. Dynamic instructions help to guide the user seamlessly through the instructions. Combining planning and record keeping may lead to clearer, more applicable instructions which addresses the reason for compliance issues with current paper-based procedures.

99 - GENERAL AND MISCELLANEOUS↗

Graph-Based Modeling and Decomposition of Hierarchical Optimization Problems

We present a graph-theoretic modeling approach for hierarchical optimization that leverages the OptiGraph abstraction implemented in the Julia package Plasmo.jl. We show that the abstraction is flexible and can effectively capture complex hierarchical connectivity that arises from decision-making over multiple spatial and temporal scales (e.g., integration of planning, scheduling, and operations in manufacturing and infrastructures). We also show that the graph abstraction facilitates the conceptualization and implementation of decomposition and approximation schemes. Specifically, we propose a graph-based Benders decomposition (gBD) framework that enables the exploitation of hierarchical (nested) structures and that uses graph aggregation/partitioning procedures to discover such structures. In addition, we provide a Julia implementation of gBD, which we call PlasmoBenders.jl. We illustrate the capabilities using examples arising in the context of energy and power systems.

97 MATHEMATICS AND COMPUTING↗