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At least 19 records

SEM Grid Testing at NLCTA in BeamNetUS Program

We report on the performance of a secondary electron monitor (SEM) grid used to measure the transverse profile of an MeV range electron beam at SLAC National Accelerator Laboratory’s Next Linear Collider Test Accelerator (NLCTA) facility. When inserted into the path of the electron beam, secondary electron emission results in a measurable current on the wires that make up the grid. We present measurements using this technique to reconstruct the beam profile. The SEM grid was designed and manufactured by a team of undergraduate students at Harvey Mudd College (HMC) and was tested at SLAC’s NLCTA facility in collaboration with NCLTA staff as part of the BeamNetUS program. Developed for real-time diagnostics of MeV-range electron beams, this SEM grid has potential applications in both industrial and medical contexts.

43 PARTICLE ACCELERATORS↗

Preparing Lamellae from Vitreous Biological Samples using a Dual-Beam Scanning Electron Microscope for Cryo-Electron Tomography

Presented here is a protocol for preparing cryo-lamellae from plunge-frozen grids of Plasmodium falciparum-infected human erythrocytes, which could easily be adapted for other biological samples. The basic principles for preparing samples, milling, and viewing lamellae are common to all instruments and the protocol can be followed as a general guide to on-grid cryo-lamella preparation for cryo-electron microscopy (cryoEM) and cryo-electron tomography (cryoET). Electron microscopy grids supporting the cells are plunge-frozen into liquid nitrogen-cooled liquid ethane using a manual or automated plunge freezer, then screened on a light microscope equipped with a cryo-stage. Frozen grids are transferred into a cryo-scanning electron microscope equipped with a focused ion beam (cryoFIB-SEM). Grids are routinely sputter coated prior to milling, which aids dispersal of charge build-up during milling. Alternatively, an e-beam rotary coater can be used to apply a layer of carbon-platinum to the grids, the exact thickness of which can be more precisely controlled. Once inside the cryoFIB-SEM an additional coating of an organoplatinum compound is applied to the surface of the grid via a gas injection system (GIS). This layer protects the front edge of the lamella as it is milled, the integrity of which is critical for achieving uniformly thin lamellae. Regions of interest are identified via SEM and milling is carried out in a step-wise fashion, reducing the current of the ion beam as the lamella reaches electron transparency, in order to avoid excessive heat generation. A grid with multiple lamellae is then transferred to a transmission electron microscope (TEM) under cryogenic conditions for tilt-series acquisition. A robust and contamination-free workflow for lamella preparation is an essential step for downstream techniques, including cellular cryoEM, cryoET, and sub-tomogram averaging. Development of these techniques, especially for lift-out and milling of high-pressure frozen samples, is of high-priority in the field.

59 BASIC BIOLOGICAL SCIENCES↗

Benchmarking Microscale Ductility Measurements (Final Report of the Project DE-NE0008799)

Conventional macroscale experimentation is generally considered to be straightforward with few limitations. Conversely, micro/nanoscale experimentation presents numerous challenges in loading device design, sample preparation and handling, as well as accurate understanding of grain size and local texture effects on recorded measurements. Despite these challenges, nanopillar compression, MEMs based micro-tension, and nanoindentation approaches have been able to provide fundamental contributions to the understanding of material behavior at small lengthscales. However, the overarching shortcoming of these micro/nanoscale experimentation approaches, is the inability to directly translate measurements evaluated at the nm and µm length scales (e.g., hardness) to macroscale tensile material behavior (i.e., elastic modulus, yield strength, and ductility). The objectives of the proposed study are, 1) to establish best practices for obtaining tensile microscale ductility measurements, and 2) to validate methodologies to for comparing microscale ductility measurements to macroscale ductility measurements. In order to achieve these objectives, a multi-lengthscale, multi-temperature testing protocol and simulation framework are executed first on copper as a model material to validate the following approach, and second on reactor grade Zircaloy-2. Experiments are conducted on specimens extracted from the same test piece to ensure nominally identical grain size and texture from specimens to specimen. Motivated by the need to isolate the contribution of size-effects on obtained mechanical property measurements, specimens are manufactured with thicknesses at the micro- (1-10 µm), meso- (10-100's µm), and macroscales (sub-sized ASTM E8). In-situ full-field deformation techniques (scanning electron microscopy (SEM) grid methods and optical DIC) are incorporated into testing at each specimen length-scale to capture plasticity localization and evolution. Experimental testing for all specimens is conducted at both room temperature and elevated temperatures to probe the role of thermal activation on plastic deformation accommodation processes. Simulation efforts focus on examining the mechanical behavior of microscale specimens using a finite element approach with explicitly resolved grain morphologies, and an embedded crystal plasticity model. The cost-efficient implementation method allows for the modeling of a statistically significant number of both real (i.e., digital twin) and generated microstructures to obtain an understanding of the interrelationships between specimen microstructure and geometric variables (grain size, texture, specimen geometry, etc.) on microscale mechanical behavior.

36 MATERIALS SCIENCE↗

General field evaluation in high-order meshes on GPUs

Robust and scalable function evaluation at any arbitrary point in the finite/spectral element mesh is required for querying the partial differential equation solution at points of interest, comparison of solution between different meshes, and Lagrangian particle tracking. This is a challenging problem, particularly for high-order unstructured meshes partitioned in parallel with MPI, as it requires identifying the element that overlaps a given point and computing the corresponding reference space coordinates. Here, we present a robust and efficient technique for general field evaluation in large-scale high-order meshes with quadrilaterals and hexahedra. In the proposed method, a combination of globally partitioned and processor-local maps are used to first determine a list of candidate MPI ranks, and then locally candidate elements that could contain a given point. Next, element-wise bounding boxes further reduce the list of candidate elements. Finally, Newton’s method with trust region is used to determine the overlapping element and corresponding reference space coordinates. Since GPU-based architectures have become popular for accelerating computational analyses using meshes with tensor-product elements, specialized kernels have been developed to utilize the proposed methodology on GPUs. The method is also extended to enable general field evaluation on surface meshes. The paper concludes by demonstrating the use of the proposed method in various applications ranging from mesh-to-mesh transfer during r-adaptivity to Lagrangian particle tracking.

97 MATHEMATICS AND COMPUTING↗

Integrated Modeling Report for CO 2 Storage with Enhanced Oil Recovery in Northern Michigan

The Midwest Regional Carbon Sequestration Partnership (MRCSP) was founded in 2003 as part of the U.S. Department of Energy’s (DOE’s) Regional Carbon Sequestration Partnership initiative. Since its founding, MRCSP has made significant strides toward making CCUS a viable option for states in the region. The public/private consortium, funded through the DOE Regional Carbon Sequestration Initiative, brings together nearly 40 industry partners and 10 states. Battelle, as the project lead, oversees research, development and operations and coordinates activities among the partners. The incremental, phased approach has built a valuable knowledge base for the industry and paved the way for commercial-scale adoption of CCUS technologies. From 2008 to 2020, MRCSP Phase III focused on the development of large-scale injection projects. This report is part of a series of reports prepared under the Midwestern Regional Carbon Sequestration Partnership (MRCSP) Phase III (Development Phase). These reports summarize and detail the findings of the work conducted under the Phase III project. MRCSP has been investigating various reservoir characterization and modeling technologies related to Carbon Capture, Utilization, and Storage (CCUS) in conjunction with carbon dioxide enhanced oil recovery (CO 2 -EOR) operations in multiple Silurian-age (Niagaran), oil-bearing, carbonate pinnacle reefs in northern Michigan, USA. This report provides a comprehensive discussion of reservoir modeling studies that were conducted for tracking oil production, forecasting CO 2 plume migration, and estimating associated storage in a number of reefs that were at different stages of their CO 2 -EOR life cycle. The modeling process for simulating oil production, CO 2 injection, and associated storage in these reefs entails two phases. The first phase, geologic framework modeling, integrates all pertinent geological and geophysical data (from logs, cores and seismic surveys) about reservoir structure, geometry, rock types, and property distributions (porosity, permeability, water saturation) into a 3-D distributed grid-based static earth model (SEM). The second phase, dynamic reservoir modeling, uses the SEM as a platform to simulate the movement of oil, gas, water, and CO 2 within the reservoir during primary hydrocarbon production, as well as during subsequent phases such as CO 2 -injection assisted EOR, plume migration, and associated storage. In addition, an assessment of coupled process effects is also carried out, where the impacts of geochemical and geo-mechanical processed induced by CO 2 injection are studied.

01 COAL, LIGNITE, AND PEAT↗

Low-Z FIB Grids for Reducing Spurious Fluorescence and X-ray Overlaps

Low-Z nanocrystalline diamond (NCD) grids have been developed to reduce spurious fluorescence and avoid X-ray peak overlaps or interferences between the specimen and conventional metal grids. Here, the low-Z NCD grids are non-toxic and safe to handle, conductive, can be subjected to high-temperature heating experiments, and may be used for analytical work in lieu of metal grids. Both a half-grid geometry, which can be used for any lift-out method, or a full-grid geometry that can be used for ex situ lift-out or thin film analyses, can be fabricated and used for experiments.

47 OTHER INSTRUMENTATION↗

Comparative SEM and TEM analyses of apatite phases prepared by a multi-sample loading device

Highlights: • A multi-sample loading device which ultrasonically disperses samples was developed. • Comparative EM analyses on various apatite phases were efficiently carried out. • SEM-EDS data revealed distinctive values of O/P and Ca/P intensity ratios. • TEM-SAED data presented characteristic structural features of apatite phases. • Lattice parameters of bone and fossil apatite were affected by CO{sub 3} content. - Abstract: Comparative chemical and structural characterization of various apatite phases from both synthetic and natural sources were carried out by utilizing a multi-sample loading device developed for scanning electron microscopy (SEM) and transmission electron microscopy (TEM) analyses. The device is capable of spraying nanoparticles via ultrasonication, and four separate samples were loaded on a single TEM grid by a masking tool to characterize different apatite phases in consistent instrumental and analytical conditions. SEM energy dispersive spectroscopy (EDS) analysis of the apatite samples revealed distinctive values of O/P and Ca/P intensity ratios except for the fossil apatite due to its high proportion of externally originating phases. Selected area electron diffraction (SAED) pattern analysis presented the characteristic lattice parameters of the apatite phases, especially the bone and fossil apatite which had CO{sub 3}in their chemistry. Analyzing distinctive chemical and structural features among varied apatite phases can be efficiently carried out through electron microscopy with multiple samples on a single TEM grid, and such methods can be employed for characterizing a wider range of materials.

36 MATERIALS SCIENCE↗

Development of a DC Distribution Testbed for High-Power EV Charging

This paper explores the design and implementation of a power hardware-in-the-loop (P-HIL) setup for DC distribution infrastructure integrated with high-power charging (HPC) of electric vehicles (EVs), DC loads, and sources. The utilization of DC distribution holds significant potential for enhancing the operation of a HPC station architecture. However, there are challenges establishing a DC charging hub including interoperability, commoditization, distributed energy resource integration, stability, DC protection, and lack of common system level controllers. To address these challenges, a testing setup is required that accommodates commercial off-the-shelf (COTS) products to evaluate different use cases at rated power and voltage levels. The developed P-HIL setup features a dedicated DC charging hub, DC-coupled chargers, DC loads/sources, DC protection, and a communication architecture. The integrated P-HIL system provides a versatile testing environment to address technology and interoperability gaps and implements a smart energy management system (SEMS). This platform enables comprehensive and robust testing of COTS devices, charger prototypes, SEMS controllers and protection schemes, which together will accelerate transition to EVs at scale. The setup is tested for various use-cases at full-scale, integrating 950 V DC bus voltage, 660 kW grid-tied inverter, 150 kW COTS charger, and 100 kW energy storage system within an open-source SEMS platform.

ADVANCED PROPULSION SYSTEMS,POWER TRANSMISSION AND↗

Additive Manufacturing of Controlled Porous Elastomeric Nanocomposites for Enhanced Sensing Function

Sensors manufactured using piezoresistive elastomeric nanocomposites have a wide range of applications in many fields such as structural health monitoring, robotics, and biomedical industries. Additive manufacturing of these sensors, achieved using Direct Ink Writing (DIW), has provided numerous advantages including increased sensitivity and the fabrication of complex geometry. However, solid sensors manufactured either additively or using conventional methods, display a greater level of hysteresis, especially at strains higher than 10%, which limits their sensitivity. The solid sensors also display a greater level of piezoresistive relaxation where the resistance change with time either in a static or dynamic loading environment. Porosity can be introduced in the form of varying infill patterns and densities to reduce bulk material effects. In this paper, a lattice structure with four infill densities are investigated, and the samples are printed using a grid infill pattern. The fabricated samples are characterized using a scanning electron microscope (SEM) to validate the microstructural features and layer bonding. The pressure-sensing capability of each sensor is investigated using cyclic compression loading at various strain levels. Sensing results show that an increase in sensitivity, as well as a decrease in hysteresis with an increase in porosity, compared to solid samples (100% in-fill). The highest porosity was measured to be 62.3% with a corresponding 112% increase in the gauge factor compared to the solid bulk. These results indicate that introducing porosity using DIW is a sensible strategy to improve the piezoresistive performance of nanocomposites and to allow for the tunability of sensing capacity in pressure sensors

Sukati, Musa↗

Screen-Printed SHJ Solar Cells with Complex Silver Inks

Metallization using complex metal inks has gained significant research interest due to its cost-effectiveness and ability to achieve performance comparable to traditional nanoparticle pastes. This study introduces the use of complex silver (Ag) inks applied via industrial screen-printing for silicon heterojunction (SHJ) solar cell metallization. The printed Ag lines exhibit a contact resistivity on SHJ tin-doped indium oxide (ITO) surfaces as low as approximately 0.2-12 mO cm2. Photoluminescence imaging reveals minimal surface passivation degradation (iVoc < 3.5 mV), while scanning electron microscopy (SEM) shows a denser structure compared to Ag layer from nanoparticle pastes. The printed Ag grid features thin (approximately 1 micrometer), continuous fingers approximately 100-120 micrometer wide, significantly thinner than conventional approximately 20-30 micrometer fingers produced with nanoparticle-based pastes. Double printing achieves SHJ device efficiencies exceeding 20%, the highest reported for industrial solar cell precursors using this technology. These findings highlight the potential of complex Ag inks as a sustainable alternative to particle-based pastes, reducing Ag consumption and processing temperatures without compromising efficiency.

14 SOLAR ENERGY↗

Towards improved mesh-designing techniques of spark-ignition engines in the framework of spectral element methods

In the current paper we present an advanced meshing technique to perform high-fidelity numerical simulations in spark ignition (SI) engines. The design of the mesh is critical towards generating physically consistent, high fidelity data especially in regions of complex boundaries inside the cylinder, e.g., near the spark plugs. This is primarily due to the mesh deformation caused by the motion of the valve near the plug and also finer mesh sizes in the spark plug region. In the current work, we demonstrate the use of an overlapping grid (overset) methodology to design the mesh in the spark-plug region in a 2D SI engine-like geometry for a high-order simulation, based on the spectral element method (SEM). The data in the overlapping region is exchanged between the spark-plug geometry and the geometry containing rest of the objects like the piston, cylinder head, valve etc., using a high order spectral interpolation technique. The numerical simulations have been further compared against the standard, single (non-overset) grid, meshing technique for the whole 2D domain. The results further illustrate the capability of overlapping grid methodology in handling mesh deformation compared to the standard grid case and also the ability to capture the flow dynamics with a similar level of fidelity as the standard one

overlapping grids↗

Towards Adaptive Mesh Refinement for the Spectral Element Solver Nek5000

When performing computational fluid dynamics (CFD) simulations of complex flows, the a priori knowledge of the flow physics and the location of the dominant flow features are usually unknown. For this reason, the development of adaptive remeshing techniques is crucial for large-scale computational problems. Some work has been made recently to provide Nek5000 with adaptive mesh refinement (AMR) capabilities in order to facilitate the generation of the grid and push forward the limit in terms of problem size and complexity [10]. Nek5000 is an open-source, highly scalable and portable code based on the spectral element method (SEM) [4], which offers minimal dissipation and dispersion, high accuracy and exponential convergence. It is aimed at solving direct and large-eddy simulations of turbulent incompressible or low Mach-number flows with heat transfer and species transport. The approach chosen for adapting the mesh is the h-refinement method, where elements are split locally, which requires the relaxation of the conforming grid constraint currently imposed by Nek5000. Other challenges include the implementation of an efficient management of the grid as refinement is applied, the development of tools to localize the critical flow regions via error estimators and the extension of the current preconditioning strategy to non-conforming grids. In this paper, we present a new procedure to setup an algebraic multigrid solver used as part of the preconditioner for the pressure equation.

Offermans, N.↗

Microsegregation Measurement: Methods and Applications

Microsegregation is chemical variation at the microstructural level in a solidified ingot, which can cause undesirable effects on material properties. Its formation is driven by different levels of solute elemental solubility between solid and liquid phases, resulting in solute buildup or depletion in the liquid phase during solidification. Characterization of microsegregation can be essential for understanding its formation and removing it through heat treatment. Measurement is frequently carried out via scanning electron microscope (SEM), though metallographic analysis, mechanical testing and optical radiography have been used. SEM analysis can consist of point measurements on single dendrites, line scans across or along dendrites, elemental maps, and extended line-based or grid-based analyses extending over many dendrites, which can generate large amounts of data. Line-based or grid-based data can be analyzed using scatterplots of element concentrations to visualize segregation behavior and sorting/ranking of data by a single element or a combination of elements, to give compositional profiles as a function of extent of solidification. For both qualitative and quantitative analyses, effects of phase transformations and secondary phases need to be considered as well as sorting of measurement errors when generating compositional profiles. Applications of analysis include determination of partition ratios, examination of solute–element interactions, determination of effects of cooling rate and back diffusion, applications to freckling studies, validations of modeling, and development of heat-treatment profiles.

36 MATERIALS SCIENCE↗

Energy Exascale Computational Fluid Dynamics Simulations With the Spectral Element Method

Development and application of the open-source GPU-based fluid-thermal simulation code, NekRS, are described. Time advancement is based on an efficient kth-order accurate timesplit formulation coupled with scalable iterative solvers. Spatial discretization is based on the high-order spectral element method (SEM), which affords the use of fast, low-memory, matrix-free operator evaluation. Further, recent developments include support for nonconforming meshes using overset grids and for GPU-based Lagrangian particle tracking. Results of large-eddy simulations of atmospheric boundary layers for wind-energy applications as well as extensive nuclear energy applications are presented.

42 ENGINEERING↗

Submicron Thickness Characterization of Poly-Si Thin Films on Textured Surfaces by X-Ray Diffraction for Minimizing Parasitic Absorption in Poly-Si/SiO2 Passivating Contact Cells

Poly-Si/SiO2 passivating contacts have shown great potential for industry-relevant next-generation solar cells. Previous work has demonstrated an improved Jsc from dry reactive ion etching in an SF6 environment, using front metal grids as a self-aligned mask. Here, we show an effective method to measure the front poly-Si thickness on an alkaline textured surface using X-ray diffraction. The calculated thicknesses are compared with cross-section SEM analysis and Quokka simulation. We show that by thinning the front poly-Si from 200 nm to 60 nm, Jsc increases by 2.4 mA/cm2, leading to an absolute efficiency gain of 1.73%. Finally, we discuss possible reasons for the premature loss of passivation before the removal of all poly-Si.

41 EE - Solar Energy Technologies Office (EE-4S)↗

An enrichment wall modeling framework for spectral element methods

In the present work, a first-of-its-kind enrichment wall-model is developed within the spectral element method (SEM) framework for large-eddy simulations (LES) of wall-bounded turbulent flows. The method augments the polynomial solution in the wall-adjacent elements with an analytical law-of-the-wall enrichment function representing the mean velocity near the wall. In the solution representation, this enrichment function captures the large gradients in the boundary layer, which allows the polynomial modes to represent the turbulent fluctuations. The enriched solution is able to resolve the shear stress at the wall without any modification to the no-slip wall boundary conditions, which allows for greater accuracy in the near-wall region compared to traditional methods. The enrichment wall modeling approach is implemented in a high-order SEM computational fluid dynamics solver, Nek5000, and its performance is assessed in turbulent channel flow wall-modeled LES for a range of Reynolds numbers. It is demonstrated that the enrichment wall-model improves solution accuracy on under-resolved near-wall grids as compared to traditional shear stress wall-models.

42 ENGINEERING↗

Measurement of Poly-Si Film Thickness on Textured Surfaces by X-Ray Diffraction in Poly-Si/SiOx Passivating Contacts for Monocrystalline Si Solar Cells

Polycrystalline Silicon on tunneling silicon oxide (poly-Si/SiOx) passivating contacts have shown great potential for the next-generation monocrystalline Si (c-Si) industrial photovoltaic technology. However, these cells typically suffer from strong parasitic absorption in the thick front poly-Si layer, which is designed to reduce metal-induced recombination. In previous work, we demonstrated an improved short-circuit current density, Jsc, by thinning the front poly-Si film in an SF6 plasma using the front metal grids as a self-aligned mask, but the sub - 100 nm thick poly-Si film is difficult to measure on an alkaline textured surface. Conventional optical techniques such as spectroscopic ellipsometry cannot be used due to the high scattering nature of the random pyramids. At poly-Si thicknesses below 50 nm, secondary electron microscopy (SEM) has difficulty distinguishing the poly-Si from the underlying c-Si substrate. Here, we demonstrate X-ray diffraction as an effective method to quantitatively measure the front poly-Si thickness. The thickness calculated from the diffraction peak height of the Si(111) crystallographic plane agrees well with the cross-section SEM analysis and simulations using SunSolve. We show that by thinning the front poly-Si from 200 to 60 nm, Jsc increased by 2.4 mA/cm2, while maintaining the same Voc. This led to an absolute efficiency gain of 1.73%. In addition, we also discuss possible reasons for the premature loss of passivation before the removal of all poly-Si, which prevented an even higher gain in Jsc.

light/electron beam induced current↗

Self-assembly of a drop pattern from a two-dimensional grid of nanometric metallic filaments

We report experiments, modeling, and numerical simulations of the self–assembly of particle patterns obtained from a nanometric metallic square grid. Initially, nickel filaments of rectangular cross section are patterned on a SiO 2 flat surface, and then they are melted by laser irradiation with ~18-ns pulses. During this time, the liquefied metal dewets the substrate, leading to a linear array of drops along each side of the squares. The experimental data provide a series of SEM images of the resultant morphology as a function of the number of laser pulses or cumulative liquid lifetime. These data are analyzed in terms of fluid mechanical models that account for mass conservation and consider flow evolution with the aim to predict the final number of drops resulting from each side of the square. The aspect ratio, δ, between the square sides' lengths and their widths is an essential parameter of the problem. Our models allow us to predict the δ intervals within which a certain final number of drops are expected. The comparison with experimental data shows a good agreement with the model that explicitly considers the Stokes flow developed in the filaments neck region that lead to breakup points. Furthermore, numerical simulations that solve the Navier-Stokes equations along with slip boundary condition at the contact lines are implemented to describe the dynamics of the problem.

42 ENGINEERING↗