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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.

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At least 523 records · Page 29

Granular Flow in Novel Octet Shape–Based Lattice Frame Material

Moving packed-bed heat exchangers in concentrated solar power (CSP) plants involves heat transfer between heated falling particles and supercritical carbon dioxide. The overall effective thermal conductivity of the moving packed bed and particle-side channel contact resistances are still the bottlenecks in achieving the desirable thermal transport levels. To this end, a novel moving packed bed heat exchanger consisting of an Octet lattice packed between the walls of the particle-side channel is proposed in this study. Granular flow analysis in Octet lattice moving packed bed heat exchanger (OLHX) was conducted through experiments and discrete element method (DEM)-based numerical simulations. The experimental images clearly demonstrated stagnation regions upstream of lattice fibers, void regions downstream of the fiber junctions, and wavy-type unobstructed flow on the lateral sides of the fibers. DEM simulations were successful in capturing all these critical flow phenomena. Larger flow velocities were observed on the lateral sides of the fibers in the simulations. Also, when the particles in the silo were emptied, the final images showed an accumulation of particles on the inter-fiber as well as fiber–channel wall junctions. Moreover, the fiber connections resulted in some regions devoid of particle contact on the channel endwall, which means that these regions would suffer from poor thermal exchange. Finally, the overall mass flowrate increased with increasing porosity for a fixed particle diameter.

14 SOLAR ENERGY↗

Engineering the fracture resistance of 2H-transition metal dichalcogenides using vacancies: An in-silico investigation based on HRTEM images

Vacancy engineering of 2H-transition metal dichalcogenides (2H-TMDs) has recently attracted great attention due to its potential to fine-tune the phonon and opto-electric properties of these materials. From a mechanical perspective, this symmetry-breaking process typically reduces the overall crack resistance of the material and adversely affects its reliability. However, vacancies can trigger the formation of heterogeneous phases that synergistically improve fracture properties. In this study, using MoSe2 as an example, we characterize the types and density of vacancies that can emerge under electron irradiation and quantify their effect on fracture. Molecular dynamic (MD) simulations, employing a re-parameterized Tersoff potential capable of accurately capturing bond dissociation and structural phase changes, reveal that isolated transition metal monovacancies or chalcogenide divacancies tend to arrest the crack tip and hence enhance the monolayer toughness. In contrast, isolated chalcogenide monovacancies do not significantly affect toughness. The investigation further reveals that selenium vacancy lines, formed by high electron dose rates, alter the crack propagating direction and lead to multiple crack kinking. Using atomic displacements and virial stresses together with a continuum mapping, displacement, strain, and stress fields are computed to extract mechanistic information, e.g., conditions for crack kinking and size effects in fracture events. The study also reveals the potential of specific defect patterns, “vacancy engineering,” to improve the toughness of 2H-TMDs materials.

36 MATERIALS SCIENCE↗

Characterization of a mock up nuclear waste package using energy resolved MeV neutron analysis

Reliable radiographic methods for characterizing nuclear waste packages non-destructively (without the need to open containers) have the potential to significantly contribute to safe handling and future disposal options, particularly for legacy waste of unknown content. Due to required shielding of waste containers and the need to characterize materials consisting of light elements, X-ray methods are not suitable. Here, energy-resolved MeV neutron radiography is demonstrated as a first-of-its-kind application for non-destructive and remote examination of mock up nuclear waste packages from a safe position using time-of-flight techniques enabled by a novel event-mode imaging detector system. Energy-resolved neutron transmission spectra were measured spatially, permitting the detection of analogue materials to actual nuclear waste such as water, melamine, and ion exchange resin within a 2.54 cm wall thickness steel pipe. The results demonstrate the capability to locate the materials through this wall thickness by radiography and tomographic reconstruction, revealing detailed 3D distributions and structural anomalies. The method effectively detects residual water in ion exchange resin, highlighting its sensitivity to moisture content, a crucial parameter for nuclear waste characterization. Monte Carlo simulations are in agreement with the experimental findings, providing a pathway to simulate waste forms more difficult to tackle experimentally. This work paves the way to apply sub-nanosecond intense MeV neutron sources, such as laser-driven neutron sources under development, to nuclear waste characterization.

36 MATERIALS SCIENCE↗

Lithium Diffusion in Silicon Encapsulated with Graphene

The model of a graphene (Gr) sheet putting on a silicon (Si) substrate is used to simulate the structures of Si microparticles wrapped up in a graphene cage, which may be the anode of lithium-ion batteries (LIBS) to improve the high-volume expansion of Si anode materials. The common low-energy defective graphene (d–Gr) structures of DV5–8–5, DV555–777 and SV are studied and compared with perfect graphene (p–Gr). First-principles calculations are performed to confirm the stable structures before and after Li penetrating through the Gr sheet or graphene/Si-substrate (Gr/Si) slab. The climbing image nudged elastic band (CI-NEB) method is performed to evaluate the diffusion barrier and seek the saddle point. The calculation results reveal that the d–Gr greatly reduces the energy barriers for Li diffusion in Gr or Gr/Si. The energy stability, structural configuration, bond length between the atoms and layer distances of these structures are also discussed in detail.

36 MATERIALS SCIENCE↗

Infinite possibilities: Computational structures technology

Computational Fluid Dynamics (or CFD) methods are very familiar to the research community. Even the general public has had some exposure to CFD images, primarily through the news media. However, very little attention has been paid to CST--Computational Structures Technology. Yet, no important design can be completed without it. During the first half of this century, researchers only dreamed of designing and building structures on a computer. Today their dreams have become practical realities as computational methods are used in all phases of design, fabrication and testing of engineering systems. Increasingly complex structures can now be built in even shorter periods of time. Over the past four decades, computer technology has been developing, and early finite element methods have grown from small in-house programs to numerous commercial software programs. When coupled with advanced computing systems, they help engineers make dramatic leaps in designing and testing concepts. The goals of CST include: predicting how a structure will behave under actual operating conditions; designing and complementing other experiments conducted on a structure; investigating microstructural damage or chaotic, unpredictable behavior; helping material developers in improving material systems; and being a useful tool in design systems optimization and sensitivity techniques. Applying CST to a structure problem requires five steps: (1) observe the specific problem; (2) develop a computational model for numerical simulation; (3) develop and assemble software and hardware for running the codes; (4) post-process and interpret the results; and (5) use the model to analyze and design the actual structure. Researchers in both industry and academia continue to make significant contributions to advance this technology with improvements in software, collaborative computing environments and supercomputing systems. As these environments and systems evolve, computational structures technology will evolve. By using CST in the design and operation of future structures systems, engineers will have a better understanding of how a system responds and lasts, more cost-effective methods of designing and testing models, and improved productivity. For informational and educational purposes, a videotape is being produced using both static and dynamic images from research institutions, software and hardware companies, private individuals, and historical photographs and drawings. The extensive number of CST resources indicates its widespread use. Applications run the gamut from simpler university-simulated problems to those requiring solutions on supercomputers. In some cases, an image or an animation will be mapped onto the actual structure to show the relevance of the computer model to the structure. Transferring the digital files to videotape presents a number of problems related to maintaining the quality of the original image, while still producing a broadcast quality videotape. Since researchers normally do not create a computer image using traditional composition theories or video production requirements, often the image loses some of its original digital quality and impact when transferred to videotape. Although many CST images are currently available, those that are edited into the final project must meet two important criteria: they must complement the narration, and they must be broadcast quality when recorded on videotape.

Beam, Sherilee F.↗

Numerical modeling of impurity powder injection in W7-X

In this work, we present numerical simulation results of powder injection in W7-X using the EMC3-EIRENE and DIS codes. First, we model powder injection experiments performed in W7-X with the Probe Mounted Powder Injector. The simulation results qualitatively agree with visible imaging measurements. Secondly, we perform predictive simulations to guide the installation of an Impurity Powder Dropper in W7-X, allowing to choose in between several available non-vertical ports to maximize the amount of powder penetrating into the plasma, as well as the verticality of the port, to minimize sticking of the powders in the in-vessel stainless steel guiding tube. Port AEM41 is selected as the best candidate for IPD installation. The robustness of the simulation results has been verified for different plasma densities, powder materials and sizes, powder friction coefficient and changes in the plasma flow.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Biofidelic Digital Head Model Software

Researchers at Los Alamos have extensive capabilities in biofidelic modeling, simulation and software development for predicting traumatic brain injury (TBI). Since injury-causing experiments cannot be performed on live humans, and head dummies are incapable of predicting brain deformations/strain, our approach uses magnetic resonance imaging (MRI) data for the brain combined with advanced computational methods and substructure constitutive properties to identify harmful accelerations that may develop diffused axonal injury in the brain. The goal is to develop this capability to analyze the effectiveness of personal protective equipment (PPE) such as, helmets and the advanced energy-absorbing materials used in PPE to mitigate brain injury. Los Alamos is seeking a collaborative partner (through a cooperative research and development agreement) to develop this capability toward a potential technology that will have commercial viability.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

In-Situ Spatial Mapping of Hydrogen in Yttrium Hydrides at LANSCE

This report summarizes the neutron imaging techniques and experimental activities performed at the Los Alamos Neutron Science Center (LANSCE) with the main goal of measuring temperature driven hydrogen diffusion within bulk-yttrium hydride (YH x ) materials. The experimental results and technique developments reported herein support the US Department of Energy Office of Nuclear Energy’s (DOE-NE) Microreactor Program under Technology Maturation. In particular, the critical need to experimentally validate and verify hydrogen-diffusion models of metal hydrides used in hightemperature microreactor designs is addressed by means of high-spatial-resolution neutron imaging coupled with custom-built and application-specific furnaces. These capabilities were designed to apply large temperature gradients across centimeter-sized YH x pellets to simulate conditions faced in the microreactor environment. Neutron imaging, combined with in-situ sample heating, enables near real-time tracking of hydrogen diffusion in YH x on the sub-millimeter scale. In this report, an overview of neutron imaging methodology and technologies are given in the context of recent spatial measures of hydrogen concentrations in similar metals hydrides. Additionally, the commissioning and operation of a custom-built compact dual-zone furnace is given along with details on the first two in-situ heating measurements of YH x performed over the 2020 and 2021 LANSCE operation cycles. In parallel with in-situ heating measurements, neutron computed tomography scans were performed to visualize hydrogen aggregates in post-heated YH x samples. Analysis and results from these neutron imaging measurements are given along with outlooks and plans for improving future hydrogen diffusion measurements at LANSCE.

47 OTHER INSTRUMENTATION↗

Transient Deformation in Additively Manufactured 316L Stainless Steel Lattices Characterized with in-situ X-ray Phase Contrast Imaging: The Complete Dataset for Three Geometrical Lattices

Metallic lattice structures are being considered for shock mitigation applications due to their superior mechanical properties, energy absorption capability and lightweight characteristics inherent of the additive manufacturing process. In this study, shock compression experiments coupled to x-ray phase contrast imaging (PCI) were conducted on 316L stainless steel lattices. Meso-scale simulations incorporating the as-built lattice structure characterized by computed tomography were used to simulate PCI radiographs in CTH for direct comparison to experimental data. The methodology presented here offers robust validation for constitutive properties to further our understanding of lattice compaction at application-relevant strain rates.

36 MATERIALS SCIENCE↗

X-Ray Imaging Study

The space environment in which the Space Station Freedom and other space platforms will orbit is truly a hostile environment. For example, the currently estimated integral fluence for electrons above 1 Mev at 2000 nautical miles is above 2 x 1O(exp 10) electrons/sq cm/day and the proton integral fluence is above 1 x 10(exp 9) protons/sq cm/day. At the 200 - 400 nautical miles, which is more representative of the altitude which will provide the environment for the Space Station, each of these fluences will be proportionally less; however, the data indicates that the radiation environment will obviously have an effect on structural materials exposed to the environment for long durations. The effects of this combined environment is the issue which needs to be understood for the long term exposure of structures in space. At the same time, there will be substantial potential for collisions between the space platforms and space debris. The current NASA catalogue contains over 4500 objects floating in space which are not considered payloads. This debris can have significant effects on collision with orbiting spacecraft. In order to better understand the effect of these hostile phenomena on spacecraft, several types of studies are being performed to simulate at some level the effect of the environment. In particular the study of debris clouds produced by hypervelocity impact on the various surfaces anticipated on the Space Station is very important at this point in time. The need to assess the threat of such debris clouds on space structures is an on-going activity. The Space Debris Impact facility in Building 4612 provides a test facility to monitor the types of damage produced with hypervelocity impact. These facilities are used to simulate space environmental effects from energetic particles. Flash radiography or x-ray imaging has traditionally provided such information and as such has been an important tool for recording damage in situ with the event. The proper operation of the system can provide much useful information with respect to parametric analysis of the hypervelocity experiment. The following report outlines the procedures developed to optimize the operation of the x-ray imaging system and its operational characteristics.

OBrien, Susan K.↗

Center-of-Mass Corrections in Associated Particle Imaging

Associated particle imaging (API) utilizes the inelastic scattering of neutrons produced in deuterium-tritium (DT) fusion reactions to obtain 3-D isotopic distributions within an object. The locations of the inelastic scattering centers are calculated by measuring the arrival time and position of the associated alpha particle produced in the fusion reactions, and the arrival time of the prompt gamma created in the neutron scattering event. While the neutron and its associated particle move in opposite directions in the center-of-mass (COM) system, in the laboratory system the angle is slightly less than 180°, and the COM movement must be taken into account in the reconstruction of the scattering location. Furthermore, the fusion reactions are produced by ions of different momenta, and thus the COM velocity varies, resulting in an uncertainty in the reconstructed positions. In this article, we analyze the COM corrections to this reconstruction by simulating the energy loss of beam ions in the target material and identifying sources of uncertainty in these corrections. Here we show that an average COM velocity calculated using the ion beam direction and energy can be used in the reconstruction and discuss errors as a function of ion beam energy, composition, and alpha detection location. When accounting for the COM effect, the mean of the reconstructed locations can be considered a correctable systematic error leading to a shift/tilt in the reconstruction. However, the distribution of reconstructed locations also have a spread that will introduce an error in the reconstruction that cannot be corrected. In this article, we will use the known stopping powers of ions in materials and reaction cross sections to examine the reconstruction uncertainties. We also discuss the impact of this effect on our API system.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Mitigating keyhole pore formation by nanoparticles during laser powder bed fusion additive manufacturing

Keyhole pore formation is one of the most detrimental subsurface defects in the laser metal additive manufacturing process. However, effective ways to mitigate keyhole pore formation beyond tuning laser processing conditions during keyhole mode laser melting are still lacking. Here we report a novel approach to mitigate keyhole pore formation during laser powder bed fusion (LPBF) process by using stable nanoparticles. The critical keyhole depth for keyhole pore generation (i.e., the largest keyhole depth without keyhole pore formation) during LPBF of Al6061 increases from 246 µm to 454 µm (85% increase) after adding TiC nanoparticles. In-depth x-ray imaging studies and thermo-fluid dynamics simulation enable us to identify that two mechanisms work together to mitigate keyhole pore generation: (1) adding nanoparticles prevents the keyhole from collapsing by increasing the liquid viscosity to impede the protrusion development; (2) adding nanoparticles slows down the keyhole pore movement by increasing the liquid viscosity, resulting in the recapturing of the pore by the keyhole. We further demonstrate that adding TiC nanoparticles can also eliminate the keyhole fluctuation induced keyhole pore during LPBF of Al6061. Our research provides a potential way to mitigate keyhole pore formation for defect lean metal additive manufacturing.

36 MATERIALS SCIENCE↗

Imaging Photonic Resonances within an All‐Dielectric Metasurface via Photoelectron Emission Microscopy

Dielectric metasurfaces, through volume‐type photonic resonances, enable precise control of light‐matter interactions for applications including imaging, holography, and sensing. The application space of dielectric metasurfaces has extended from infrared to visible wavelengths by incorporating high refractive index materials, such as titanium dioxide (TiO 2 ). Understanding the fundamental and fabrication limits for these applications requires metrology with nanoscale resolution, sensitivity to electromagnetic fields within the meta‐atom volume, and far‐field excitation. In this work, photoelectron emission microscopy (PEEM) is used to image field distributions of photonic resonances in a TiO 2 metasurface excited with far‐field, visible‐wavelength illumination. The local volumetric field variations within the meta‐atoms are analyzed as a function of illumination angle and polarization by comparing photoelectron images to finite‐difference time‐domain simulations. This study determines the inelastic mean free path of very low‐energy (<1 eV) photoelectrons to be 35 ± 10 nm, which is comparable to the meta‐atom height thereby highlighting PEEM sensitivity to resonances within the volume. Additionally, the simulations reveal high sensitivity of PEEM images to an in‐plane component of the illumination k ‐vector. These results demonstrate that photoelectron imaging with subwavelength resolution offers unique advantages for examining light‐matter interactions in volume‐type (as opposed to surface) photonic modes within dielectric nanophotonic structures.

electron inelastic mean free path↗

Atomic Fingerprinting of Heteroatoms Using Noncontact Atomic Force Microscopy

We report immense strides have been made in increasing the resolution of scanning probe microscopy. Noncontact atomic force microscopy (n-AFM) now offers one the ability to characterize and visualize single molecules with subatomic resolution. Specifically, nc-AFM with a carbon monoxide (CO) functionalized tip has the ability to discriminate functional groups (–C≡C–, –CH 2 , –C$=$O, …), although discriminating atomic species often remains as an ongoing challenge. Here, real-space pseudopotentials constructed within density functional theory are employed to accurately simulate nc-AFM images of molecules containing heteroatoms (S, I, and N) within dibenzothiophene (DBT), 2-iodotriphenylene (ITP), acridine (ACR) and ferrous phthalocyanine (FePc). It is found that S and I atoms can be easily identified from C based on their unique features. For N atoms, a use of tip functionalization is proposed to effectively discriminate them from C atoms.

36 MATERIALS SCIENCE↗

Quantifying Impacts of Biomass Pelletization on Fast Pyrolysis Using a Single-Particle Reactor, X-ray Computed Tomography, and Computational Modeling

The pore structure and density of lignocellulosic feedstocks dictate intraparticle transport phenomena and thereby play an important role in thermochemical conversion processes such as fast pyrolysis for biofuel and biochemical production. Variations in microstructure are inherent from different biomass species and can be introduced by preprocessing techniques such as cutting and pelletization. Morphological changes also occur during conversion and lead to vastly different pore structures and behavior during pyrolysis, which impact required conversion times and product distributions. The current work presents a comprehensive comparison of fast pyrolysis of neat and pelletized pine feedstocks, which includes single-particle experiments, modeling, and 3D imaging by X-ray computed tomography (XCT). The particle-scale model included anisotropic heat and mass transport in a shrinking particle with pyrolysis reactions based on the CRECK mechanism with boundary conditions informed by reactor-scale simulations of the single-particle reactor. The models were validated by measurements of the temperature and mass loss from single-particle pyrolysis experiments of neat and pelletized pine. Quantitative analysis of XCT geometries revealed that pyrolytic conversion yielded chars with increased porosity and permeability compared to the unpyrolyzed materials, along with decreased tortuosity and anisotropy. Pelletization of the pine feedstock resulted in a much denser, less permeable material, which converted slower and produced more residual char after pyrolysis compared to neat pine. The results from particle modeling revealed that accounting for the dynamic and anisotropic heat and mass transport caused by differences in pore structure is critical to achieving agreement with experimental results. Overall, this study highlights the dramatic differences in conversion behavior imparted by pelletization and the importance of capturing microstructural attributes in computational models to guide the design and optimization of pyrolysis processes for specific biomass feedstocks.

09 BIOMASS FUELS↗

Geology team

Evaluating of the combined utility of narrowband and multispectral imaging in both the infrared and visible for the lithologic identification of geologic materials, and of the combined utility of multispectral imaging in the visible and infrared for lithologic mapping on a global bases are near term recommendations for future imaging capabilities. Long term recommendations include laboratory research into methods of field sampling and theoretical models of microscale mixing. The utility of improved spatial and spectral resolutions and radiometric sensitivity is also suggested for the long term. Geobotanical remote sensing research should be conducted to (1) separate geological and botanical spectral signatures in individual picture elements; (2) study geobotanical correlations that more fully simulate natural conditions; and use test sites designed to test specific geobotanical hypotheses.

Source record↗

Reflectance stability analysis of Spectralon diffuse calibration panels

The Multi-angle Imaging SpectroRadiometer (MISR) plans to use deployable diffuse reflectance panels to provide periodic radiometric calibrations of its nine cameras while in-flight. Near-Lambertian reflectance characteristics are desirable to facilitate flat-field camera intercomparisons. Also required is panel spatial and spectral uniformity, and stability with time. Spectralon, a commercially available polytetrafluoroethylene (PTFE) compound, has been baselined in the MISR design. To assess the suitability of this material, a series of degradation tests were planned and implemented. These included UV vacuum exposure and proton bombardment tests which simulated the exposure levels to be encountered during the mission life. Proton levels are now considered too low to be of concern, but UV vacuum tests demonstrate sensitivity to material contamination. Material investigations have concluded that hydrocarbons are present in the bulk of the material, and that plastic packaging materials can introduce additional surface-layer contamination. It is found however, that these unwanted elements can be eliminated through vacuum pumping at elevated temperatures. Exposure to a UV source, while in vacuum, is again planned for a set of targets which have been vacuum baked. This will assess the stability of the pure PTFE form.

Bruegge, Carol J.↗

Monte Carlo Modeling and Design of Photon Energy Attenuation Layers for >10× Quantum Yield Enhancement in Si-Based Hard X-ray Detectors

High-energy (>20 keV) X-ray photon detection at high quantum yield, high spatial resolution, and short response time has long been an important area of study in physics. Scintillation is a prevalent method but limited in various ways. Directly detecting high-energy X-ray photons has been a challenge to this day, mainly due to low photon-to-photoelectron conversion efficiencies. Commercially available state-of-the-art Si direct detection products such as the Si charge-coupled device (CCD) are inefficient for >10 keV photons. Here, we present Monte Carlo simulation results and analyses to introduce a highly effective yet simple high-energy X-ray detection concept with significantly enhanced photon-to-electron conversion efficiencies composed of two layers: a top high-Z photon energy attenuation layer (PAL) and a bottom Si detector. We use the principle of photon energy down conversion, where high-energy X-ray photon energies are attenuated down to ≤10 keV via inelastic scattering suitable for efficient photoelectric absorption by Si. Our Monte Carlo simulation results demonstrate that a 10–30× increase in quantum yield can be achieved using PbTe PAL on Si, potentially advancing high-resolution, high-efficiency X-ray detection using PAL-enhanced Si CMOS image sensors.

47 OTHER INSTRUMENTATION↗