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At least 325 records · Page 18

Model-based quantification of margins and uncertainties in metal additive manufacturing for process design and qualification

Laser powder bed fusion (LPBF) Additive Manufacturing (AM) has the potential to enable the production of components with novel designs and material properties unachievable otherwise. However, process repeatability is a challenge, making qualification ill-defined and greatly reducing the utility of what could be an important manufacturing technology. In this work, a combination of modeling, uncertainty quantification (UQ), and experimentation are used in an effort to predict and bound the range of possible outcomes of the LPBF process. Quantities of interest predicted are melt pool dimensions, microstructure features, and mechanical distortions. A combination of high fidelity thermal-fluid models, microstructure growth models, and reduced fidelity, rapid thermal and mechanical models are used. Uncertainty propagation techniques are used to predict probability distributions of quantities of interest from estimates of process uncertainties. Repeated experiments are done to quantify observed probability distributions and compared to predicted distributions to determine if predictions are precise and accurate. Novel modeling methods are microstrucutre characterization techniques are also discussed. It is found that high fidelity models do a generally good job bounding experimentally observed melt pool morphologies for both bead-on-plate and powder bed cases. Microstructure models are able to bound a number of experimentally observed microstructure statistics, but with low precision due to challenges with calibrating the microstructure growth model parameters. A developed modified inherent strain distortion model does not accurately predict observed distortions. A lumped laser distortion model shows promise in being both accurately and precisely bounding observed outcomes from the deflection comb build, but requires further evaluation on more builds and geometries.

36 MATERIALS SCIENCE↗

Electromagnetic inversion for a baseline conductivity model at the Kemper CarbonSAFE site

Geophysics is one component of a successful monitoring strategy for carbon storage sites. Seismic surveys are a common element of these strategies, with repeat surveys occurring about every 5 years. However, seismic is expensive, the sensitivity to CO2 saturation is limited, and it requires a large footprint on the surface (Yurikov et al., 2022). Electromagnetic (EM) methods offer repeat surveys at a significantly lower cost, the ability to utilize airborne methods to increase coverage, and potentially provide enough information to increase the time between seismic surveys. Specifically, we focus on semi-airborne EM, with a grounded dipole transmitter, and airborne magnetic field receivers as described and modeled in Kohnke et al. (2023).

Kohnke, Colton↗

Fermilab Automation of Coil Winding System

The automated coil winder project creates a repeatable, scalable method for producing superconducting magnet coils with increased accuracy and efficiency. The design uses an ortho cyclic winding method to achieve high fill factors by combining computer numerical control (CNC), microcontroller-based controls, and sophisticated optimization techniques. The method optimizes coil turns, core geometry, and current consumption by utilizing analytical models based on magnetic moment, Ohm’s law, and power constraints. For particle accelerator applications, prototype testing using a 3D-printed coil winder has shown enhanced winding repeatability, thermal management, and manufacturability.

Dzida, Rafal [Northern Illinois U.]↗

The Risk Assessment Information System Compendium of Ecological Screening Benchmarks for Chemicals and Radionuclides (2025) (Volume VIII – Chemicals for Sediment: General)

Volume VIII presents the chemical benchmarks for sediment: general. The benchmarks here are applicable to both freshwater sediments and marine sediments or where no differentiation was made by the source. These values are not repeated in the freshwater sediment and marine sediment categories. Likewise, values listed in the freshwater sediment and marine sediment categories are not repeated in the generic categories. Consult Volume I for information on the sources.

54 ENVIRONMENTAL SCIENCES↗

The Risk Assessment Information System Compendium of Ecological Screening Benchmarks for Chemicals and Radionuclides (2025) (Volume V – Chemicals for Surface Water: General)

Volume V presents the chemical benchmarks for surface water: general. The benchmarks here are applicable to both fresh water and marine or where no differentiation was made by the source. These values are not repeated in the fresh water and marine categories. Likewise, values listed in the fresh water and marine categories are not repeated in the generic categories. Consult Volume I for information on the sources.

54 ENVIRONMENTAL SCIENCES↗

Detection of Critical Surface Features in PTLs and GDLs for Improved Device Performance and Manufacturing Reliability

High points, or features that protrude above the surface of the material, on porous transport layers (PTLs) and gas diffusion layers (GDLs) can be critical features that may affect the manufacturing process and the performance of the device containing the feature. High points on PTLs and GDLs may stress the membrane of a polymer electrolyte membrane (PEM) during lamination and cell operation of a PEM electrolyzer or fuel cell. Additionally, high points on GDLs may impact the reliability of the manufacturing process. Thus, understanding these critical features and developing procedures to detect them are a key part of developing quality control techniques for PTLs and GDLs. This work evaluates the effectiveness of the Keyence VR6200 benchtop-scale structured light optical profilometer for detection of surface protrusions on PTLs and GDLs. Standard testing procedures for detecting and measuring high points were created for use on both material types. These procedures were evaluated using Gage Repeatability and Reproducibility (Gage R&R), where the repeatability, reproducibility, and effectiveness of the system to detect and measure high points were quantified. We have shown with high statistical power that the system is very effective in detection and measurement of high points, with Gage R&R contributions measured to be 2.2% and 3.6% for PTLs and GDLs, respectively.

36 MATERIALS SCIENCE↗

UAE6 - Wind Tunnel Tests Data - UAE6 - Sequence E - Raw Data

Sequence E: Yaw Releases (P) This test sequence used a downwind, rigid turbine with a 3.4° cone angle. The wind speeds ranged from 7 m/s to 17 m/s. Initial yaw angles of ±90° were achieved. The blade tip pitch was 3°. The rotor rotated at 72 RPM. Blade and probe pressure measurements were collected. The teeter dampers were replaced with rigid links, and these two channels were flagged as not applicable by setting the measured values in the data file to –99999.99 Nm. The teeter link load cell was pre-tensioned to 40,000 N. The turbine was positioned at each specified yaw angle. A 30- second data set was collected with the yaw brake engaged. These points used a letter for the last digit beginning with A and proceeding through the alphabet as repeat points were needed. These points were plotted and compared to ascertain the functionality of the instrumentation. The files ending in numbers beginning with 0 and increasing with each repetition represent yaw release points. Once the fixed-position yaw test was complete, the yaw drive was engaged to hold the turbine. The yaw brake was released, and the yaw drive was disabled allowing the turbine to yaw freely. The yaw drive was disabled about 5 seconds into the campaign, and the turbine was allowed to yaw freely for the rest of the 30-second duration. When the yaw drive is disabled, no torque is applied to the motor, and the inertia and yawing force of the nacelle and rotor overcomes the friction and inertia of the yaw gear and motor. The yaw releases were repeated five times at each condition. Four additional campaigns were collected to determine the turbine’s natural yaw error by releasing the brake at 0° yaw error. These file names use the E designation, followed by two digits for wind speed, followed by XXXX, followed by the repetition digit.

17 WIND ENERGY↗

Power Density Distributions in Electron Beams

Measuring and controlling the power density distribution of electron beams used for welding is critical for producing repeatable welds and for transferring welding parameters between different machines. On any given machine, the power density distribution is controlled by defocusing the beam relative to its sharpest focused condition. However, measuring the power density distribution can be difficult due to the intense nature of welding beams and is further complicated by imperfect electron optics that can distort the beam, making it difficult to quantify. The enhanced modified Faraday cup (EMFC) diagnostic method was used here for beam analysis that utilizes computed tomography to reconstruct the beam’s power density distribution. These results were compared to the International Standards Organization (ISO) method for characterizing laser beams using a second-moment D4σ calculation. For ideal Gaussian-shaped beams, both methods would give the same result. However, for imperfect beams, the calculated D4σ diameter was shown to be about 25% larger relative to the FWe2 diameter measured by the EMFC due to the heavier weighting of data in the tails of the beam by D4σ. Finally, although both methods produce repeatable welds, it is important to understand the differences in the reported beam diameters, divergence angles, and beam parameter products when transferring parameters between machines.

36 MATERIALS SCIENCE↗

Investigation of Scale-Dependent Groundwater/Surface-water Exchange in Rivers by Gradient Self-Potential Logging: Numerical Modeling and Field Experiments

Exchanges of groundwater and surface-water are fundamental to a wide range of water-supply and water-quality management issues but challenging to map beyond the reach scale. Waterborne gradient self-potential (SP) measurements are directly sensitive to water flow through riverbed sediments and can be used to infer exchange locations, direction (gain versus loss), scale, and relative changes, but to date applications to river corridor hydrology are limited. Numerical modeling and field experiments were therefore performed herein, each emphasizing waterborne gradient SP logging for identifying and locating focused vertical groundwater discharge (surface-water gain) and recharge (surface-water loss) in a river. Two and three-dimensional numerical models were constructed to simulate the polarities, appearances, and peak amplitudes of streaming-potential and electric-field anomalies on a riverbed and in the surface-water that were attributable to steady-state vertical fluxes of groundwater through high-permeability conduits in the riverbed. Effects of varied hydraulic length-scale of exchange and surface-water depth were tested through numerical modeling. Modeling results aided in data acquisition and interpretation for three repeated field experiments performed along a 1.5–2.0 km reach of the Quashnet River in Cape Cod, Massachusetts, where focused, meter-scale groundwater discharges occur at discrete locations within otherwise ubiquitous and more diffuse groundwater upwelling conditions. Strong gradient SP anomalies were repeatedly measured in the Quashnet River at previously confirmed locations of focused groundwater discharge, showing the efficacy of waterborne gradient SP logging in identifying and characterizing groundwater/surface water exchange dynamics at multiple river network scales.

Engineering↗

Comparing Calibration Algorithms for the Rapid Characterization of Pretreated Corn Stover Using Near-Infrared Spectroscopy

Rapid characterization of biomass composition is a key enabling technology for biorefineries—the ability to measure the chemical composition of biomass materials entering the biorefinery as well as the composition of key process intermediate streams would allow real-time process control and the development of robust models to predict process performance. The utility of near-infrared (NIR) spectroscopy for rapid characterization requires multivariate algorithms for building calibration models. The most prevalent algorithm used for building calibration models using NIR spectra is the linear modeling algorithm Partial Least Squares Regression (PLS). Nonlinear regression algorithms (which are typically more computationally intensive than linear modeling approaches) have gained popularity in recent years due to their ability to solve a wide variety of classification and regression problems and the dramatic increase in available computational resources. In this work, we demonstrate that a calibration model can predict the composition of corn stover process intermediate samples pretreated with three different treatments—hot water (HW), dilute acid (DA), and deacetylation followed by dilute acid (DDA). We quantitatively compare three different algorithms for building prediction models based on near-infrared spectroscopy—partial least squares (PLS), support vector machines (SVM), and random forests (RF). We demonstrate the utility of improving model performance by accounting for instrument performance variability using repeated measurements of standard materials (e.g., the “repeatability file” strategy) and investigate its performance with nonlinear regression techniques, and we discuss methods for quantifying the uncertainties of specific predictions among the three methods.

09 BIOMASS FUELS↗

PhytoOracle: Scalable, modular phenomics data processing pipelines

As phenomics data volume and dimensionality increase due to advancements in sensor technology, there is an urgent need to develop and implement scalable data processing pipelines. Current phenomics data processing pipelines lack modularity, extensibility, and processing distribution across sensor modalities and phenotyping platforms. To address these challenges, we developed PhytoOracle (PO), a suite of modular, scalable pipelines for processing large volumes of field phenomics RGB, thermal, PSII chlorophyll fluorescence 2D images, and 3D point clouds. PhytoOracle aims to ( i ) improve data processing efficiency; ( ii ) provide an extensible, reproducible computing framework; and ( iii ) enable data fusion of multi-modal phenomics data. PhytoOracle integrates open-source distributed computing frameworks for parallel processing on high-performance computing, cloud, and local computing environments. Each pipeline component is available as a standalone container, providing transferability, extensibility, and reproducibility. The PO pipeline extracts and associates individual plant traits across sensor modalities and collection time points, representing a unique multi-system approach to addressing the genotype-phenotype gap. To date, PO supports lettuce and sorghum phenotypic trait extraction, with a goal of widening the range of supported species in the future. At the maximum number of cores tested in this study (1,024 cores), PO processing times were: 235 minutes for 9,270 RGB images (140.7 GB), 235 minutes for 9,270 thermal images (5.4 GB), and 13 minutes for 39,678 PSII images (86.2 GB). These processing times represent end-to-end processing, from raw data to fully processed numerical phenotypic trait data. Repeatability values of 0.39-0.95 (bounding area), 0.81-0.95 (axis-aligned bounding volume), 0.79-0.94 (oriented bounding volume), 0.83-0.95 (plant height), and 0.81-0.95 (number of points) were observed in Field Scanalyzer data. We also show the ability of PO to process drone data with a repeatability of 0.55-0.95 (bounding area).

59 BASIC BIOLOGICAL SCIENCES↗

To have value, comparisons of high-throughput phenotyping methods need statistical tests of bias and variance

The gap between genomics and phenomics is narrowing. The rate at which it is narrowing, however, is being slowed by improper statistical comparison of methods. Quantification using Pearson’s correlation coefficient ( r ) is commonly used to assess method quality, but it is an often misleading statistic for this purpose as it is unable to provide information about the relative quality of two methods. Using r can both erroneously discount methods that are inherently more precise and validate methods that are less accurate. These errors occur because of logical flaws inherent in the use of r when comparing methods, not as a problem of limited sample size or the unavoidable possibility of a type I error. A popular alternative to using r is to measure the limits of agreement (LOA). However both r and LOA fail to identify which instrument is more or less variable than the other and can lead to incorrect conclusions about method quality. An alternative approach, comparing variances of methods, requires repeated measurements of the same subject, but avoids incorrect conclusions. Variance comparison is arguably the most important component of method validation and, thus, when repeated measurements are possible, variance comparison provides considerable value to these studies. Statistical tests to compare variances presented here are well established, easy to interpret and ubiquitously available. The widespread use of r has potentially led to numerous incorrect conclusions about method quality, hampering development, and the approach described here would be useful to advance high throughput phenotyping methods but can also extend into any branch of science. The adoption of the statistical techniques outlined in this paper will help speed the adoption of new high throughput phenotyping techniques by indicating when one should reject a new method, outright replace an old method or conditionally use a new method.

59 BASIC BIOLOGICAL SCIENCES↗

A Computed Tomography Automation Architecture Developed from a Comprehensive Literature Review

This paper presents a literature review on techniques related to the computed tomography procedure that incorporate automation elements in their research investigations or industrial applications. Computed tomography (CT) is a non-destructive testing (NDT) technique in that the imaging and inspection are performed without damaging the sample, allowing for additional or repeated analysis if necessary. The reviewed literature is organized based on the steps associated with a general NDT task in order to define an end-to-end computed tomography automation architecture. The process steps include activities prior to image collection, during the scan, and after the data are collected. It further reviews efforts related to repeating this process based on a previous scan result. By analyzing the multiple existing but disparate efforts found in the literature, we present a framework for fully automating NDT procedures and discuss the remaining technical gaps in the developed framework.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Quantum Theory of the Classical: Einselection, Envariance, Quantum Darwinism and Extantons

Core quantum postulates including the superposition principle and the unitarity of evolutions are natural and strikingly simple. I show that—when supplemented with a limited version of predictability (captured in the textbook accounts by the repeatability postulate)—these core postulates can account for all the symptoms of classicality. In particular, both objective classical reality and elusive information about reality arise, via quantum Darwinism, from the quantum substrate. This approach shares with the Relative State Interpretation of Everett the view that collapse of the wavepacket reflects perception of the state of the rest of the Universe relative to the state of observer’s records. However, our “let quantum be quantum” approach poses questions absent in Bohr’s Copenhagen Interpretation that relied on the preexisting classical domain. Thus, one is now forced to seek preferred, predictable, hence effectively classical but ultimately quantum states that allow observers keep reliable records. Without such (i) preferred basis relative states are simply “too relative”, and the ensuing basis ambiguity makes it difficult to identify events (e.g., measurement outcomes). Moreover, universal validity of quantum theory raises the issue of (ii) the origin of Born’s rule, p k =|ψ k | 2 , relating probabilities and amplitudes (that is simply postulated in textbooks). Last not least, even preferred pointer states (defined by einselection—environment—induced superselection)—are still quantum. Therefore, unlike classical states that exist objectively, quantum states of an individual system cannot be found out by an initially ignorant observer through direct measurement without being disrupted. So, to complete the ‘quantum theory of the classical’ one must identify (iii) quantum origin of objective existence and explain how the information about objectively existing states can appear to be essentially inconsequential for them (as it does for states in Newtonian physics) and yet matter in other settings (e.g., thermodynamics). I show how the mathematical structure of quantum theory supplemented by the only uncontroversial measurement postulate (that demands immediate repeatability—hence, predictability) leads to preferred states. These (i) pointer states correspond to measurement outcomes. Their stability is a prerequisite for objective existence of effectively classical states and for events such as quantum jumps. Events at hand, one can now enquire about their probability—the probability of a pointer state (or of a measurement record). I show that the symmetry of entangled states—(ii) entanglement—assisted invariance or envariance—implies Born’s rule. Envariance also accounts for the loss of phase coherence between pointer states. Thus, decoherence can be traced to symmetries of entanglement and understood without its usual tool—reduced density matrices. A simple and manifestly noncircular derivation of p k =|ψ k | 2 follows. Monitoring of the system by its environment in course of decoherence typically leaves behind multiple copies of its pointer states in the environment. Only pointer states can survive decoherence and can spawn such plentiful information-theoretic progeny. This (iii) quantum Darwinism allows observers to use environment as a witness—to find out pointer states indirectly, leaving systems of interest untouched. Quantum Darwinism shows how epistemic and ontic (coexisting in epiontic quantum state) separate into robust objective existence of pointer states and detached information about them, giving rise to extantons—composite objects with system of interest in the core and multiple records of its pointer states in the halo comprising of environment subsystems (e.g., photons) which disseminates that information throughout the Universe.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Influence of Carboxymethyl Cellulose as a Thickening Agent for Glauber’s Salt-Based Low Temperature PCM

This work is focused on a novel, promising low temperature phase change material (PCM), based on the eutectic Glauber’s salt composition. To allow phase transition within the refrigeration range of temperatures of +5 °C to +12 °C, combined with a high repeatability of melting–freezing processes, and minimized subcooling, the application of three variants of sodium carboxymethyl cellulose (Na-CMC) with distinct molecular weights (700,000, 250,000, and 90,000) is considered. The primary objective is to optimize the stabilization of this eutectic PCM formulation, while maintaining the desired enthalpy level. Preparation methods are refined to ensure repeatability in mixing components, thereby optimizing performance and stability. Additionally, the influence of Na-CMC molecular weight on stabilization is examined through differential scanning calorimetry (DSC), T-history, and rheology tests. The PCM formulation of interest builds upon prior research in which borax, ammonium chloride, and potassium chloride were used as additives to sodium sulfate decahydrate (Glauber’s salt), prioritizing environmentally responsible materials. The results reveal that CMC with molecular weights of 250 kg/mol and 90 kg/mol effectively stabilize the PCM without phase separation issues, slowing crystallization kinetics. Conversely, CMC of 700 kg/mol proved ineffective due to the disruption of gel formation at its low gel point, hindering higher concentrations. Calculations of ionic concentration indicate higher Na ion content in PCM stabilized with 90 kg/mol CMC, suggesting increased ionic interactions and gel strength. A tradeoff is discovered between the faster crystallization in lower molecular weight CMC and the higher concentration required, which increases the amount of inert material that does not participate in the phase transition. After thermal cycling, the best formulation had a latent heat of 130 J/g with no supercooling, demonstrating excellent performance. This work advances PCM’s reliability as a thermal energy storage solution for diverse applications and highlights the complex relationship between Na-CMC molecular weight and PCM stabilization.

25 ENERGY STORAGE↗

Similarity Downselection: Finding the n Most Dissimilar Molecular Conformers for Reference-Free Metabolomics

Computational methods for creating in silico libraries of molecular descriptors (e.g., collision cross sections) are becoming increasingly prevalent due to the limited number of authentic reference materials available for traditional library building. These so-called “reference-free metabolomics” methods require sampling sets of molecular conformers in order to produce high accuracy property predictions. Due to the computational cost of the subsequent calculations for each conformer, there is a need to sample the most relevant subset and avoid repeating calculations on conformers that are nearly identical. The goal of this study is to introduce a heuristic method of finding the most dissimilar conformers from a larger population in order to help speed up reference-free calculation methods and maintain a high property prediction accuracy. Finding the set of the n items most dissimilar from each other out of a larger population becomes increasingly difficult and computationally expensive as either n or the population size grows large. Because there exists a pairwise relationship between each item and all other items in the population, finding the set of the n most dissimilar items is different than simply sorting an array of numbers. For instance, if you have a set of the most dissimilar n = 4 items, one or more of the items from n = 4 might not be in the set n = 5. An exact solution would have to search all possible combinations of size n in the population exhaustively. We present an open-source software called similarity downselection (SDS), written in Python and freely available on GitHub. SDS implements a heuristic algorithm for quickly finding the approximate set(s) of the n most dissimilar items. We benchmark SDS against a Monte Carlo method, which attempts to find the exact solution through repeated random sampling. We show that for SDS to find the set of n most dissimilar conformers, our method is not only orders of magnitude faster, but it is also more accurate than running Monte Carlo for 1,000,000 iterations, each searching for set sizes n = 3–7 out of a population of 50,000. We also benchmark SDS against the exact solution for example small populations, showing that SDS produces a solution close to the exact solution in these instances. Using theoretical approaches, we also demonstrate the constraints of the greedy algorithm and its efficacy as a ratio to the exact solution.

97 MATHEMATICS AND COMPUTING↗

Towards Low-Temperature CVD Synthesis and Characterization of Mono- or Few-Layer Molybdenum Disulfide

Molybdenum disulfide (MoS 2 ) transistors are a promising alternative for the semiconductor industry due to their large on/off current ratio (>10 10 ), immunity to short-channel effects, and unique switching characteristics. MoS 2 has drawn considerable interest due to its intriguing electrical, optical, sensing, and catalytic properties. Monolayer MoS 2 is a semiconducting material with a direct band gap of ~1.9 eV, which can be tuned. Commercially, the aim of synthesizing a novel material is to grow high-quality samples over a large area and at a low cost. Although chemical vapor deposition (CVD) growth techniques are associated with a low-cost pathway and large-area material growth, a drawback concerns meeting the high crystalline quality required for nanoelectronic and optoelectronic applications. This research presents a lower-temperature CVD for the repeatable synthesis of large-size mono- or few-layer MoS 2 using the direct vapor phase sulfurization of MoO 3 . The samples grown on Si/SiO 2 substrates demonstrate a uniform single-crystalline quality in Raman spectroscopy, photoluminescence (PL), scanning electron microscopy (SEM), atomic force microscopy (AFM), X-ray photoelectron spectroscopy (XPS), and scanning transmission electron microscopy. These characterization techniques were targeted to confirm the uniform thickness, stoichiometry, and lattice spacing of the MoS 2 layers. The MoS 2 crystals were deposited over the entire surface of the sample substrate. With a detailed discussion of the CVD setup and an explanation of the process parameters that influence nucleation and growth, this work opens a new platform for the repeatable synthesis of highly crystalline mono- or few-layer MoS 2 suitable for optoelectronic application.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Impact of Observing Strategy on Cosmological Constraints with LSST

The generation-defining Vera C. Rubin Observatory will make state-of-the-art measurements of both the static and transient universe through its Legacy Survey for Space and Time (LSST). With such capabilities, it is immensely challenging to optimize the LSST observing strategy across the survey's wide range of science drivers. Many aspects of the LSST observing strategy relevant to the LSST Dark Energy Science Collaboration, such as survey footprint definition, single-visit exposure time, and the cadence of repeat visits in different filters, are yet to be finalized. Here, we present metrics used to assess the impact of observing strategy on the cosmological probes considered most sensitive to survey design; these are large-scale structure, weak lensing, type Ia supernovae, kilonovae, and strong lens systems (as well as photometric redshifts, which enable many of these probes). We evaluate these metrics for over 100 different simulated potential survey designs. Our results show that multiple observing strategy decisions can profoundly impact cosmological constraints with LSST; these include adjusting the survey footprint, ensuring repeat nightly visits are taken in different filters, and enforcing regular cadence. We provide public code for our metrics, which makes them readily available for evaluating further modifications to the survey design. We conclude with a set of recommendations and highlight observing strategy factors that require further research.

79 ASTRONOMY AND ASTROPHYSICS↗