Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “pattern formation”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 523 records · Page 29

CFD-Guided Evaluation of Spark-Assisted Gasoline Compression Ignition for Cold Idle Operation

A closed-cycle, three-dimensional (3D) computational fluid dynamics (CFD) analysis campaign was conducted to evaluate the performance of using spark plugs to assist gasoline compression ignition (GCI) combustion during cold idle operations. A conventional spark plug using single-sided J-strap design was put at a location on the cylinder head to facilitate spray-guided spark assistance. Ignition was modeled with an L-type energy distribution to depict the breakdown and the arc-to-glow phases during the energy discharge process. Several key design parameters were investigated, including injector clocking, number of nozzle holes, spray inclusion angle, number of fuel injections, fuel split ratio, and fuel injection timings. The study emphasized the region around the spark gap, focusing on flame kernel formation and development and local equivalence ratio distribution. Flame kernel development and the ignition process were found to correlate strongly with the fuel stratification and the flow velocity near the spark gap. The analysis results showed that the flame kernel development followed the direction of the local flow field. In addition, the local fuel stratification notably influenced early-stage flame kernel development due to varying injection spray patterns and the fuel injection strategies. Among these design parameters, the number of nozzle holes and fuel injection timing had the most significant effects on the engine combustion performance.

42 ENGINEERING↗

Experimental Investigation of a Phase Change Material Charged Finned-Tube Heat Exchanger

Understanding different thermal performance aspects of phase change material heat exchangers (PCM-HX) is critical for designing future energy-efficient thermal energy storage systems. This paper presents an experimental performance analysis of a vertically oriented annular finned-tube PCM-HX in a cylindrical container tested under six different melting and solidification test conditions, varied by heat transfer fluid’s (HTF) inlet temperatures and flow directions. The PCM-HX structure with 20 evenly spaced fins was 3D printed in aluminum, and the PCM-HX container was 285 mm in height. The PCM-HX average porosity was 89.7%, where the PCM mass was 246.4 g. Water served as the HTF, and a PCM with a nominal phase change temperature of 35 °C was selected. Instead of opaque conventional insulation sheets, a combination of air-and-argon-filled see-through insulation cylinders was assembled with the PCM-HX to visualize the phase-change phenomena, while minimizing the uncertainties due to heat loss. In total, there were 78 T-type thermocouples installed in the test section which allows a more precise assessment of thermal mass and heat loss, which are often neglected in similar studies found in the literature. We validated the reliability of the test facility as the repeated test results had negligible deviations under the same test conditions. The energy balances between the estimated theoretical and experimentally calculated PCM storage, considering heat loss and thermal mass, were within ±9% deviation for all test conditions. From the experimental investigations, we made several following observations. It was found that the melting pattern of the finned-tube PCM-HX with small gaps between the container wall and the fins was largely affected by the HTF flow directions, unlike the typical straight annular tube PCM-HX. For effective charging and discharging processes, a combination of upward melting and downward solidification is recommended to shorten the test duration. However, an upward solidification should be considered to minimize the cavity formation between the fins caused by the PCM volume contraction during the solidification process.

25 ENERGY STORAGE↗

Machine learning and deep learning for mineralogy interpretation and CO 2 saturation estimation in geological carbon Storage: A case study in the Illinois Basin

Carbon capture and storage (CCS) is a promising approach to simultaneously maintaining energy security and reducing carbon dioxide (CO 2 ) emissions under the current energy portfolio that is dominated by fossil fuel energy. Pre-injection formation characterization and post-injection CO 2 monitoring are two critical tasks to guarantee storage efficiency in CCS. The CCS projects in the Illinois Basin, the first large-scale CO 2 injection into saline aquifers in the United States, employed conventional and the latest pulsed neutron logging (PNL) tools for mineralogy interpretation and CO 2 saturation estimation, which provide valuable references for future CCS projects. Because of the inherent fuzziness of petrophysical measurements and complex subsurface heterogeneity, interpreting well-logging data is time-consuming, and its accuracy can be user-biased. In recent years, data-driven methods have been widely used to capture the non-linear patterns between input features and interpretation results. This work applied and evaluated four commonly used machine learning (ML) models, including ridge regression (RR), random forest (RF), gradient boosting regression (GBR), support vector regression (SVR), and one deep learning (DL) model, the artificial neural network (ANN). We optimized the hyperparameters of the four ML models and the DL model using the simulated annealing algorithm and the grid search strategy, respectively. The input features of the mineralogy interpretation models were eleven conventional well-logging parameters, and the label data (i.e., ground truth) were the porosity and volumetric fractions of six minerals, including quartz, feldspar, dolomite, calcite, clay, and iron minerals. The results demonstrated that the GBR and RF models were superior in predicting volumetric fractions of minerals and porosity; label data with low coefficient of variation (CV) values tended to yield better performance. For CO 2 saturation estimation, the RF was the best-performing model, followed by SVR, ANN, GBR, and RR. Furthermore, we conducted feature importance ranking using the permutation importance algorithm and found that the formation sigma and well pressure were the most important features in this study. In conclusion, the study of CCS projects in the Illinois Basin bridges the gap between the limited knowledge and understanding of geological carbon storage and the increasing demand for reliable, cost-effective, and sustainable energy solutions.

58 GEOSCIENCES↗

Advancing Detector R&D for High-Pressure Gaseous Argon TPCs in Precision Neutrino Physics

High-pressure gaseous argon time projection chambers (HPgTPCs) represent an emerging detector paradigm for neutrino physics, combining increased target density with the intrinsic tracking and low thresholds of gaseous detectors. This approach enables detailed reconstruction of exclusive final states, improved particle identification, and sensitivity to low-energy and rare processes — capabilities that are increasingly central to precision oscillation measurements and searches for beyond-the-Standard-Model signatures. This abstract presents an overview of ongoing detector R&D toward high-pressure gaseous argon TPC operation, with emphasis on micro-pattern gas detector (MPGD) charge amplification in argon-based mixtures. We report experimental characterization of triple-GEM structures at pressures relevant for neutrino applications, including studies of multiplication factor scaling, stability, and operational voltage envelopes across gas admixtures. Measurements performed at the TOAD and GORG test stands at Fermilab help define viable amplification and electronics noise regimes in conditions where higher density imposes stricter constraints on signal formation. These results provide essential input to the optimization of high-pressure gaseous argon detectors for future neutrino experiments, including near-detector concepts such as ND-GAr in DUNE Phase II near detector upgrade. More broadly, this program shows how dedicated detector R&D can expand the precision frontier in neutrino physics by enabling complementary reconstruction capabilities beyond conventional detectors.

McConnell, Brenna [Indiana U.] (ORCID:000900041138↗

Injection Parameters That Promote Branching of Hydraulic Cracks

Fluid injection into rock formations can either produce complex branched hydraulic fractures, create simple planar fractures, or be dominated by porous diffusion. Currently, the optimum injection parameters to create branched fractures are unknown. We conducted repeatable hydraulic fracturing experiments using analog-rock samples with controlled heterogeneity to quantify the fluid parameters that promote fracture branching. A large range of injection rates and fluid viscosities were used to investigate their effects on induced fracture patterns. Paired with a simple analytical model, our results identify the threshold at which fracture transitions from an isolated planar crack to branched cracks when closed natural fractures exist. These results demonstrate that this transition can be controlled by injection rate and fluid viscosity. In relation to the field practices, the present model predicts slickwater and lower viscosity fluid injections promote fracture branching, with the Marcellus shale used as an example.

58 GEOSCIENCES↗

CMS Storage Performance with RNTuple

CMS is transitioning to use ROOT’s new RNTuple data storage format for the files CMS will write in the HL-LHC era. Based on initial tests, CMS expects faster I/O and smaller files compared to the present TTree storage format. This contribution will show a comprehensive performance comparison between RNTuple and TTree I/O using CMS AOD and MiniAOD data formats as test cases for both simulation and collision data corresponding to similar data taking conditions of LHC Run 3. Quantities such as the resulting file size, the memory usage of the I/O components, and the rate of events being read from a file or written to a file will be measured. CMS’ data processing relies heavily on reading files over the local or wide area networks. The file read patterns are important because the latencies have been seen to influence the total production job times. Therefore a study on the file read patterns will be conducted by recording traces of the offset, size, and timestamp of each read request for both RNTuple and TTree. The behavior of network reads will be mimicked by reading local files where artificial latency will be added to the read requests. The effect of different latency values on the job times will be studied.

Jones, Christopher D. [Fermilab]↗

Directing Charge Carriers and Ferroelectric Domains at Lateral Interfaces in van der Waals Heterostructures

Emergent phenomena in traditional ferroelectrics are frequently observed at heterointerfaces. Accessing such functionalities in van der Waals ferroelectrics requires the formation of layered heterostructures, either vertically stacked (similar to oxide ferroelectrics) or laterally stitched (without equivalent in 3D-crystals). Here, we investigate lateral heterostructures of the ferroelectric van der Waals semiconductors SnSe and SnS. A two-step process produces ultrathin crystals comprising an SnSe core laterally joined to an SnS edge-band, as confirmed by Raman spectroscopy, transmission electron microscopy (TEM) imaging, and electron diffraction. TEM shows a moiré pattern across the SnSe core due to coverage by an ultrathin SnS layer. The ability of the lateral interface (IF) to direct excited carriers, probed by cathodoluminescence, shows electron transfer over 560 nm diffusion length from the SnS edge-band. Large, thin flakes supporting ferroelectricity allow investigating domains and domain wall interactions in uniform crystals and lateral heterostructures. Polarized optical microscopy of sub-20 nm flakes consistently shows ⟨110⟩ oriented stripe domains with mirror-twin domain walls. Heterostructures adopt two domain configurations, with domains either constrained to the SnSe core or propagating across the entire SnSe–SnS flakes. Furthermore, the combined results demonstrate multifunctional van der Waals heterostructures with high-quality IFs presenting extraordinary opportunities for manipulating carrier flows and ferroelectric domain patterns.

2D ferroelectrics↗

Understanding Formation of Irradiation-Induced Defects through 4D-STEM, Electron Tomography, and WBDF-STEM

A major challenge in advancing nuclear materials for next-generation fission and proposed fusion reactors is to comprehensively understand the formation of irradiation-induced defects. Here it is essential to correlate the evolution of irradiation-induced defects and the degradation of mechanical properties, as they collectively dictate the material's lifespan and ensure nuclear safety. Scanning transmission electron microscopy (STEM) based techniques have emerged as indispensable tools for irradiation-induced defect characterization, offering high spatial resolution imaging and chemical analysis, such as electron energy loss spectroscopy (EELS) and energy dispersive X-ray spectroscopy (EDXS). These techniques have been effectively used to obtain an atomic-scale view of the defect structure. Recent advances in electron microscopy, particularly in 4D-STEM, offer detailed insight into microstructural evolution by capturing full 2D diffraction patterns at every pixel position. Using high-speed direct electron detectors, this technology generates a four-dimensional dataset, overcoming the limitations of traditional STEM imaging.

36 MATERIALS SCIENCE↗

X‑ray Coherent Diffractive Imaging of Large Helium Nanodroplets Doped with Small Molecules

We report the first X-ray coherent diffractive imaging experiment on molecule-doped helium nanodroplets. It complements previous work, where we reported single-shot X-ray coherent diffractive imaging studies of Xe dopant clusters formed in 4He and 3He droplets. These noble gas clusters were used to visualize the impact of rotational excitation of the droplets on the spatial distribution of atomic dopants within the droplets, and to study the differences and connections between quantum and classical droplet rotational motion. Here, we expand our studies to the molecular dopants CF4, CHF3, CH3CN, and SF6, imaged with 1.5 keV photons. We find multiple Bragg spots in the diffraction patterns of molecule-doped droplets with radii of approximately 600 nm, which provide evidence that molecules form elongated clusters with preferential alignment along the angular momentum axis of the 4He droplets, in agreement with our previous results on the aggregation of Xe clusters on quantum vortices. Real-space reconstructions of molecular dopant cluster density profiles are obtained for droplets with smaller radii of approximately 300 nm. The diffuse images suggest the formation of low-density, potentially porous, molecular clusters upon aggregation at T = 0.4 K in 4He droplets. In the normal fluid 3He droplets, molecules aggregate into loose clusters on the droplets' equator, similar to previous observations for Xe atoms. Time-of-flight mass spectra reveal that the doped helium nanodroplet moieties fragment extensively into constituent atomic ions, producing only a small fraction of molecular fragment ions. The findings are discussed in the context of previously proposed schemes to use He droplets as potential tamper materials for ultrafast X-ray imaging experiments.

Feinberg, AlexandraJ↗

Ultrafast formation of a transient two-dimensional diamondlike structure in twisted bilayer graphene

Due to the absence of matching carbon atoms at honeycomb centers with carbon atoms in adjacent graphene sheets, theorists predicted that a sliding process is needed to form AA, AB', or ABC stacking when directly converting graphite into sp 3 bonded diamond. Here, using twisted bilayer graphene, which naturally provides AA and AB' stacking configurations, we report the ultrafast formation of a transient two-dimensional diamondlike structure (which is not observed in aligned graphene) under femtosecond laser irradiation. This photoinduced phase transition is evidenced by the appearance of bond lengths of 1.94 and 3.14 Å in the time-dependent differential pair distribution function using MeV ultrafast electron diffraction. Molecular dynamics and first-principles calculation indicate that sp 3 bonds nucleate at AA and AB' stacked areas in a moiré pattern. This work sheds light on the direct graphite-to-diamond transformation mechanism, which has not been fully understood for more than 60 years.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Efficient Data Management in Neutron Scattering Data Reduction Workflows at ORNL

Oak Ridge National Laboratory (ORNL) experimental neutron science facilities produce 1.2 TB a day of raw event-based data that is stored using the standard metadata-rich NeXus schema built on top of the HDF5 file format. Performance of several data reduction workflows is largely determined by the amount of time spent on the loading and processing algorithms in Mantid, an open-source data analysis framework used across several neutron sciences facilities around the world. The present work introduces new data management algorithms to address identified input output (I/O) bottlenecks on Mantid. First, we introduce an in-memory binary-tree metadata index that resemble NeXus data access patterns to provide a scalable search and extraction mechanism. Second, data encapsulation in Mantid algorithms is optimally redesigned to reduce the total compute and memory runtime footprint associated with metadata I/O reconstruction tasks. Results from this work show speed ups in wall-clock time on ORNL data reduction workflows, ranging from 11% to 30% depending on the complexity of the targeted instrument-specific data. Nevertheless, we highlight the need for more research to address reduction challenges as experimental data volumes increase.

Godoy, William↗

The superatomic state beyond conventional magic numbers: Ligated metal chalcogenide superatoms

The field of cluster science is drawing increasing attention due to the strong size and composition-dependent properties of clusters and the exciting prospect of clusters serving as the building blocks for materials with tailored properties. However, identifying a unifying central paradigm that provides a framework for classifying and understanding the diverse behaviors is an outstanding challenge. One such central paradigm is the superatom concept that was developed for metallic and ligand-protected metallic clusters. The periodic electronic and geometric closed shells in clusters result in their properties being based on the stability they gain when they achieve closed shells. This stabilization results in the clusters having a well-defined valence allowing them to be classified as superatoms – thus, extending the periodic table to a third dimension. This perspective focuses on extending the superatomic concept to ligated metal-chalcogen clusters that have recently been synthesized in solutions and form assemblies with counterions that have wide-ranging applications. Here we illustrate that the periodic patterns emerge in the electronic structure of ligated metal-chalcogenide clusters. The stabilization gained by the closing of their electronic shells allows for the prediction of their redox properties. Further investigations reveal how the selection of ligands may control the redox properties of the superatoms. These ligated clusters may serve as chemical dopants for two-dimensional semiconductors to control their transport characteristics. Superatomic molecules of multiple metal-chalcogen superatoms allow for the formation of nano pn junctions ideal for directed transport and photon harvesting. As a result, the perspective outlines future developments, including the synthesis of magnetic superatoms.

36 MATERIALS SCIENCE↗

Forming a database to study reversed magnetic shear from the National Spherical Torus eXperiment using machine learning

Achieving a long-lived reversed magnetic shear (RMS) target plasma in the National Spherical Torus eXperiment Upgrade will require developing various sustainment scenarios. To help with the ongoing plasma control efforts, the development of a new analysis for the motional Stark effect (MSE) diagnostic using a machine learning algorithm, namely, MSE-ML, is described. MSE-ML will be used to identify patterns during RMS discharges, some of which suffer magnetohydrodynamic (MHD) events resulting in current redistribution and monotonic q-profiles. A database consisting of q and magnetic shear profiles is being constructed primarily based on the existing National Spherical Torus eXperiment data with equilibrium reconstructions constrained by the magnetic field pitch angle profile measured using the multi-channel MSE diagnostic. An unsupervised k-means clustering of the data is developed to study the RMS formation as a function of time. The initial clustering from the q-profiles shows significant differences in both amplitude and the duration of the RMS period. As a goal, the clustering results that detect and distinguish shots with substantial and sustained RMS are to be used as a preprocessing step in a supervised algorithm to identify the underlying conditions that lead to long-lasting improved confinement with RMS. Another aim of the MSE-ML study is to identify precursors of RMS-destroying MHD events in either derived data such as the q-profile or directly measured data such as the magnetic field pitch angle profile.

Uzun-Kaymak, I. U. (ORCID:0000000276251493)↗

Deciphering exopolysaccharide functional specificity via visualization of chemical motifs that mediate microbial-microenvironment interactions in soil micromodels

Exopolysaccharides (EPS) are carbohydrate-based matrices of microbial biofilms that microbes use to adapt to their surroundings. Microbial EPS also promotes soil aggregate stability and contributes toward soil health by reducing erosion caused by continued land use. The chemical structure of EPS, even within single species biofilms, can vary greatly: from repeating units and branching patterns to the non-carbohydrate decorations. Despite the wealth of knowledge on EPS chemistry, many unresolved questions regarding the biological implications of EPS chemical variations remain. Here, we develop a mass spectrometry imaging toolbox that reveal how EPS chemistry enables microbial adaptation to different microenvironments such as specific moisture, soil-biofilm interfaces, and food source proximity. First, we developed emulated soil micromodels (ESMs), microfluidic channels that simulate the physical properties of soil, for biofilm formation in different microenvironments. Then, in order to map chemical features of EPS in these micromodels, we develop strategies for in-situ releasing of oligosaccharides using specific enzymes. Lastly, we optimized matrix-assisted laser desorption ionization (MALDI) mass spectrometry imaging (MSI) to spatially analyze the released compounds in ESMs.

54 ENVIRONMENTAL SCIENCES↗

Correlated 4D-STEM and EDS for the classification of fine Beta-precipitates in aluminum alloy AA 6063-T6

Tuning the properties of aluminum alloys AA 6063-T6 involves artificial aging to induce precipitate formation, particularly β’’ and β’ phases. Previous characterization challenges due to their similar appearance are addressed here by correlating 4D scanning transmission electron microscopy (4DSTEM) and energy-dispersive spectroscopy (EDS) mapping. This approach allows us to analyze the structure and composition of precipitates individually, overcoming limitations of conventional imaging and structural analysis techniques when the precipitates appear simultaneously, as is often the case. We present detailed characterizations of needle-shaped Beta precipitates, revealing distinct diffraction patterns (DPs) and compositional differences. The method's applicability extends beyond aluminum alloys, offering a promising strategy for complex composite material characterization with multimodal scanning transmission electron microscopy (STEM) techniques.

36 MATERIALS SCIENCE↗

Rhizosphere Soil Biogeochemical Data and Photosynthetic Data of Vicia Faba in a Rhizobox

Here we share the data in column format via csv files for pH, redox, and dissolved oxygen collected at hourly resolution from microelectrodes. Dissolved organic carbon concentrations collected from TOC are also provided in a similar format but are composited samples from hourly microdialysis collection. This provided resolution of diel rhizosphere dynamics belowground. Plant physiological data was also collected at every 5 min for 24 hr cycles in order to capture diel dynamics aboveground. This data was used to parameterize the reaction transport model eSTOMP-ROOTS, which examines the rhizosphere biogeochemistry of a growing Vicia faba plant. The aim was to investigate plant activity and belowground biogeochemical processes, particularly their impact on mineral-organic associations in the rhizosphere. We combined in-situ rhizosphere microsensor and plant physiological measurements with a 3-D plant-soil reactive transport model to explore the behavior of dissolved organic carbon (DOC) in the rhizosphere. Over several days, microdialysis probes placed at the root-soil interface in live soil showed distinct daily patterns of DOC concentration in the pore water. Spikes in DOC concentrations during the day aligned with peaks in leaf-level photosynthesis, accompanied by decreasing redox potential and dissolved oxygen levels, and increasing pH in the rhizosphere. This new mechanistic modeling framework, which integrates aboveground plant physiological data with non-destructive, high-resolution monitoring of rhizosphere processes, offers significant potential for studying the factors that control carbon storage in soils.

54 ENVIRONMENTAL SCIENCES↗

Cavity Swelling in Irradiated Materials

Cavity swelling, due to three-dimensional clustering of vacancies, is an undesirable isotropic volume expansion of materials under irradiation. This phenomenon occurs above stage-III recovery temperature where vacancies are mobile, between ~0.3–0.6 Tm where Tm is the absolute melting temperature. The primary mechanism for cavity swelling is “dislocation bias”, i.e., preferential absorption of interstitials by network dislocations, causing a vacancy supersaturation. Cavity swelling is highly temperature dependent and typically follows a bell-shaped curve with peak swelling occurring at an intermediate temperature. With increasing temperature, cavity size increases, and number density decreases logarithmically. With increasing dose, cavity swelling increases, but follows a hockey-stick type pattern, characterized by a low-swelling transient incubation period and then a steady-state regime. The incubation period, dominant in cavity nucleation, is dependent upon material’s chemistry and irradiation conditions such as dose rate/temperature. Cavity swelling increases linearly with dose in the steady-state regime, that is independent of chemistry and dose rate. This regime is dominated by cavity growth. Transmutation gases like He enhance cavity nucleation such that an early onset of cavity formation occurs. However, swelling magnitudes can be either increased or suppressed when He is present. Results in austenitic steels and Cu indicate that cavity swelling peaks at intermediate He/dpa ratios of ~10 appm He/dpa. The most effective method to mitigate cavity swelling is by increasing the fixed point-defect sink density, by promoting precipitation or dispersion strengthening.

Bhattacharya, Arunodaya↗

Revealing Deformation Mechanisms in Polymer-Grafted Thermoplastic Elastomers via In Situ Small-Angle X-ray Scattering

The tunable properties of thermoplastic elastomers (TPEs), through polymer chemistry manipulations, enable these technologically critical materials to be employed in a broad range of applications. The need to “dial-in” the mechanical properties and responses of TPEs generally requires the design and synthesis of new macromolecules. In these designs, TPEs with nonlinear macromolecular architectures outperform the mechanical properties of their linear copolymer counterparts, but the differences in the deformation mechanism providing enhanced performance are unknown. Here, in situ small-angle X-ray scattering (SAXS) measurements during uniaxial extension reveal distinct deformation mechanisms between a commercially available linear poly(styrene)–poly(butadiene)–poly(styrene) (SBS) triblock copolymer and the grafted SBS version containing grafted poly(styrene) (PS) chains from the poly(butadiene) (PBD) midblock. The neat SBS (φ SBS = 100%) sample deforms congruently with the macroscopic dimensions, with the domain spacing between spheres increasing and decreasing along and transverse to the stretch direction, respectively. At high extensions, end segment pullout from the PS-rich domains is detected, which is indicated by a disordering of SBS. Conversely, the PS-grafted SBS that is 30 vol % SBS and 70% styrene (φ SBS = 30%) exhibits a lamellar morphology, and in situ SAXS measurements reveal an unexpected deformation mechanism. During deformation, there are two simultaneous processes: significant lamellar domain rearrangement to preferentially orient the lamellae planes parallel to the stretch direction and crazing. The samples whiten at high strains as expected for crazing, which corresponds with the emergence of features in the 2D SAXS pattern during stretching consistent with fibril-like structures that bridge the voids in crazes. The significant domain rearrangement in the grafted copolymers is attributed to the new junctions formed across multiple PS domains by the grafting of a single chain. In conclusion, the in situ SAXS measurements provide insights into the enhanced mechanical properties of grafted copolymers that arise through improved physical cross-linking that leads to nanostructure domain reorientation for self-reinforcement and craze formation where fibrils help to strengthen the polymer.

36 MATERIALS SCIENCE↗