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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 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Seasonal Seismicity in the Lake Biwa Region of Central Japan Moderately Modulated by Lake Water Storage Changes

Seasonal seismicity in Japan has been observed and attributed to variations induced by hydrological loading, as well as atmospheric and pore-fluid pressure. We examine the seasonal variations of crustal (<15 km depth) and low magnitude (M < 4.5) earthquakes in central Japan near the Biwako-Seigan Fault Zone (BSFZ), and analyze their correlation with the annual hydrological cycle of nearby Lake Biwa, the largest freshwater lake in Japan. The 2002–2018 lake water storage is estimated using water-level gauge and satellite altimetry data. Regional surface mass loading from soil moisture and snow predicted by the Global Land Data Assimilation System is used to augment the lake mass variation. We compute the stress and stressing-rate changes induced by the surface mass loading from lake storage, snow, and soil moisture at seismogenic depth (10 km) along the BSFZ using a finite element model incorporating a 3D Earth structure. The results show that seasonal surface mass loading generates 1–5 kPa peak-to-peak Coulomb stress change and 2.5–15 kPa/year stressing-rate variations on the fault segments along the BSFZ. Two of the four fault segments present significant correlation between local seismicity rate and loading-derived stress and/or stressing rate changes. Among the hydrological load components, lake water, snow, and soil moisture exhibit different annual phases, and the lake water storage dominates the total annual stress changes. Our analysis indicates that seasonal surface hydrological loads, especially lake water variations, modulate the seismicity rate along the BSFZ in central Japan.

58 GEOSCIENCES↗
DOE OSTI2025

A formal Fe III/V redox couple in an intercalation electrode

Iron redox cycling between low-valent oxidation states of Fe II and Fe III drives crucial processes in nature. The Fe II/III redox couple charge compensates the cycling of lithium iron phosphate, a positive electrode (cathode) for lithium-ion batteries. High-valent iron redox couples, involving formal oxidation higher than Fe III , could deliver higher electrochemical potentials and energy densities. However, because of the instability of high-valent Fe electrodes, they have proven difficult to probe and exploit in intercalation systems. Here, in this study, we report and characterize a formal Fe III/V redox couple by revisiting the charge compensation mechanism of (de)lithiation in Li 4 FeSbO 6 . Valence-sensitive experimental and computational core-level spectroscopy reveal a direct transition from Fe III (3d 5 ) to a negative-charge-transfer FeV (3d 5 L 2 ) ground state on delithiation, without forming Fe IV , or oxygen dimers. We identify that the cation ordering in Li 4 FeSbO 6 drives a templated phase transition to stabilize the unique Fe V species and demonstrate that disrupting cation ordering suppresses the Fe III/V redox couple. Exhibiting resistance to calendar aging, high operating potential and low voltage hysteresis, the Fe III/V redox couple in Li 4 FeSbO 6 provides a framework for developing sustainable, Fe-based intercalation cathodes for high-voltage applications.

Ramachandran, Hari [Stanford Univ., CA (United Sta↗
DOE OSTI2022

Observation of Weyl exceptional rings in thermal diffusion

A non-Hermitian Weyl equation indispensably requires a three-dimensional (3D) real/synthetic space, and it is thereby perceived that a Weyl exceptional ring (WER) will not be present in thermal diffusion given its purely dissipative nature. Here, we report a recipe for establishing a 3D parameter space to imitate thermal spinor field. Two orthogonal pairs of spatiotemporally modulated advections are employed to serve as two synthetic parameter dimensions, in addition to the inherent dimension corresponding to heat exchanges. We first predict the existence of WER in our hybrid conduction–advection system and experimentally observe the WER thermal signatures verifying our theoretical prediction. When coupling two WERs of opposite topological charges, the system further exhibits surface-like and bulk topological states, manifested as stationary and continuously changing thermal processes, respectively, with good robustness. Our findings reveal the long-ignored topological nature in thermal diffusion and may empower distinct paradigms for general diffusion and dissipation controls.

42 ENGINEERING↗
DOE OSTI2023

Predictive Modeling of Electrodeposition in a Single Pore Flow-Through Electrode: From Electronucleation to Coating Thickness Uniformity

The emergence of advanced manufacturing methods capable of producing porous three-dimensional structures has expanded the design space for next-generation functional components. The ability to fabricate ordered 3D foams for use in electrocatalysis reactors has increased the need for controlled deposition of catalytic metals onto porous support materials, such as carbon. However, there is a lack of clear design guidelines for electrodeposition onto 3D substrates, due to the geometric complexity and multi-scale nature of the problem. Furthermore, electro-nucleation phenomena are often overlooked in macro-scale models of current distribution during deposition. Here, a graphite flow-through electrode (FTE) is used as a model system for copper deposition within a single pore. Potential distributions and electro-nucleation phenomena are coupled in a continuum level model by incorporating nucleation size and density as a function of overpotential, determined experimentally using in situ atomic force microscopy (AFM). The model predictions are validated by measuring the coating uniformity in the pore using micro-computed X-ray tomography (μCT). A scaling analysis comprising dimensionless parameters such as the Wagner number is presented. The simplified scaling relationship framework can guide the electrodeposition process and electrode design to optimize plating of porous substrates under fluid flow conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Cryogenic System Preliminary Design for a 0.5m-Long, Conduction-Cooled Nb3Sn Undulator Magnet Prototype

There are several NbTi superconducting undulator (SCU) magnets currently in operation at the Advanced Photon Source (APS) at Argonne National Laboratory (ANL). The development on Nb3Sn-based superconducting undulator magnets at APS is underway due to the potential to further enhance the performance of the SCUs. Superconducting undulator magnets need to keep temperature gradients minimized in order to retain thermal and operating current margin. We have designed the thermal links for efficient heat conduction using 3D finite element analysis (FEA) simulation in COMSOL Multiphysics software, which was later used for the calculation of the temperature distribution across a 0.5 m long, conduction-cooled, Nb3Sn undulator magnet prototype that includes both conductive heat transfer and radiative heating components. We have modelled the evolution of the thermal properties of the magnet winding as well as other cold parts during cool-down from ambient temperature with the operation of a SHI RDK-415D cryocooler to examine the estimated time that is needed for the cooldown as well as the baseline temperature we could achieve. A key result was that a maximum coil delta T = 0.11 K along the designed thermal links and a temperature range of 3.42 K-3.53 K for the winding were predicted at steady state. A pair of G10 support rods for carrying the magnet as well as a pair of current leads made of metals were also designed and optimized for the testing system, targeting for an operation temperature of 4 K and a coil current of 950 A DC.

Zhang, Danlu↗
DOE OSTI2023

Large Format Composite Additive Manufacturing for Low-Head Hydropower

Hydropower with a small elevation change from inlet to outlet, known as “low-head” hydropower, is a relatively untapped resource for reliable green power generation. One major barrier to entry is the cost of the components needed to generate the power. Each installation site is unique, with various head levels, flow rates, and other unique site characteristics that drive up the cost of development and installation. As a result, custom-made components are necessary because the sites are intrinsically inefficient. However, customized parts are generally more expensive to manufacture than ready-made parts. Often times, the cost of custom-made components is so high that the low-head hydropower installation becomes non-viable. Additive manufacturing offers the ability to make custom components, ideal for one-off applications, at low costs that are well suited for the needs of low-head hydropower. Indirect additive manufacturing, such as making tools or dies rather than end use components, can also be used to make low-cost composite tooling as needed for these custom applications. This paper explores the use of additive manufacturing, both directly and indirectly, to produce the components of a turbine system for a low-head hydropower site. The parts were designed to form a unique modular system, which saves time for future designs and iterations. The system has operated for more than three years without failure at a test site in Wisconsin, USA. This work serves as a basis for future application of AM to low-head systems, in which the modular components can be customized for each unique hydropower installation.

36 MATERIALS SCIENCE↗
DOE OSTI2021

RELAP5-3D Simulation of PG-27 Test at the HTTF Facility

The High Temperature Test Facility (HTTF) at Oregon State University (OSU) is a quarter scaled integral-effect test facility designed to examine the transient phenomena occurring in a Modular Hight Temperature Gas-cooled Reactor (MHTGR). It is specifically designed to handle the pressurized and depressurized conduction cooldown (PCC and DCC) events. The PCC event is an accident scenario in which there is a loss of forced convection of the coolant through the system. However, the pressure boundary remains intact. This study focuses on the Reactor Excursions and Leak Analysis Program (RELAP)5-3D simulation of the PG-27 test (PCC phenomena) and the sensitivity of those simulations from the material properties and primary helium mass flow rate standpoint. The aim is to capture a reasonable one-dimensional picture of a three dimensional phenomena. The simulation will help in the code assessment and in understanding the various unknown parameters involved. The presented results will demonstrate the code is able to capture the detailed one-dimensional physics accurately. However, input parameters to the code (i.e., the primary mass flow rate, refractory material thermal conductivity, and heat capacity at elevated temperatures) impact the fuel temperature the most. This work will discuss the sensitivity of simulations to the identified input parameters.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Electron-scale current sheets and energy dissipation in 3D kinetic-scale plasma turbulence with low electron beta

ABSTRACT Three-dimensional kinetic-scale turbulence is studied numerically in the regime where electrons are strongly magnetized (the ratio of plasma species pressure to magnetic pressure is βe = 0.1 for electrons and βi = 1 for ions). Such a regime is relevant in the vicinity of the solar corona, the Earth’s magnetosheath, and other astrophysical systems. The simulations, performed using the fluid-kinetic spectral plasma solver (sps) code, demonstrate that the turbulent cascade in such regimes can reach scales smaller than the electron inertial scale, and results in the formation of electron-scale current sheets (ESCS). Statistical analysis of the geometrical properties of the detected ESCS is performed using an algorithm based on the medial axis transform. A typical half-thickness of the current sheets is found to be on the order of electron inertial length or below, while their half-length falls between the electron and ion inertial length. The pressure–strain interaction, used as a measure of energy dissipation, exhibits high intermittency, with the majority of the total energy exchange occurring in current structures occupying approximately 20 per cent of the total volume. Some of the current sheets corresponding to the largest pressure–strain interaction are found to be associated with Alfvénic electron jets and magnetic configurations typical of reconnection. These reconnection candidates represent about 1 per cent of all the current sheets identified.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Non-Linear Optics at Twist Interfaces in h-BN/SiC Heterostructures

Understanding the emergent electronic structure in twisted atomically thin layers has led to the exciting field of twistronics. However, practical applications of such systems are challenging since the specific angular correlations between the layers must be precisely controlled and the layers have to be single crystalline with uniform atomic ordering. Here, in this work, an alternative, simple, and scalable approach is suggested, where nanocrystalline two-dimensional (2D) film on 3D substrates yields twisted-interface-dependent properties. Ultrawide-bandgap hexagonal boron nitride (h-BN) thin films are directly grown on high in-plane lattice mismatched wide-bandgap silicon carbide (4H-SiC) substrates to explore the twist-dependent structure-property correlations. Concurrently, nanocrystalline h-BN thin film shows strong non-linear second-harmonic generation and ultra-low cross-plane thermal conductivity at room temperature, which are attributed to the twisted domain edges between van der Waals stacked nanocrystals with random in-plane orientations. First-principles calculations based on time-dependent density functional theory manifest strong even-order optical nonlinearity in twisted h-BN layers. This work unveils that directly deposited 2D nanocrystalline thin film on 3D substrates could provide easily accessible twist-interfaces, therefore enabling a simple and scalable approach to utilize the 2D-twistronics integrated in 3D material devices for next-generation nanotechnology.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Installation protocol for charge transfer dissociation mass spectrometry on ion trapping mass spectrometers

Abstract Rationale Charge transfer dissociation (CTD) is a novel fragmentation technique that demonstrates enhanced structural characterization for a wide variety of molecules compared to standard fragmentation techniques like collision‐induced dissociation (CID). Alternative fragmentation techniques, such as electron transfer dissociation, electron capture dissociation, and ultraviolet photodissociation, also overcome many of the shortfalls of CID, but none of them are a silver bullet that can adequately characterize a wide variety of structures and charge states of target compounds. Given the diversity of structural classes and their occasional obstinance towards certain activation techniques, alternative fragmentation techniques are required that rely on novel or alternative modes of activation. Methods Herein, we present a step‐by‐step protocol for the installation of CTD on a quadrupole ion trap mass spectrometer and best practices for optimizing the signal‐to‐noise ratio and acquisition times for CTD mass spectra. Results In addition to two CTD installations in the Jackson laboratory, CTD has also been installed, and is currently in operation, on two 3D ion trap mass spectrometers in France: one in the laboratory of Dr. David Ropartz and Dr. Hélène Rogneaux at INRAE in Nantes, and the other in the laboratory of Dr. Jean‐Yves Salpin at Université d'Évry Val‐d'Essonne, part of the Paris‐Saclay University system. Conclusions Here, we provide a visual protocol to help others accomplish the instrument modification.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Automated bidirectional coupling of multiscale models of aerosol dosimetry: Validation with subject-specific deposition data

Assessing the toxicity of airborne particulate matter or the efficacy of inhaled drug depends upon accurate estimates of deposited fraction of inhaled materials. In silico approaches can provide important insights into site- or airway-specific deposition of inhaled aerosols in the respiratory system. In this study, we improved on our recently developed 3D/1D model that simulate aerosol transport and deposition in the whole lung over multiple breath cycles. A subject-specific multiscale lung model of a healthy male subject using computational fluid-particle dynamics (CFPD) in a 3D model of the oral cavity through the large bronchial airways entering each lobe was bidirectionally coupled with a recently improved Multiple Path Particle Dosimetry (MPPD) model to predict aerosol deposition over the entire respiratory tract over multiple breaths for four conditions matching experimental aerosol exposures in the same subject from which the model was developed. These include two particle sizes (1 and 2.9 μm) and two subject-specific breathing rates of ~300 ml/s (slow breathing) and ~750 ml/s (fast breathing) at a target tidal volume of 1 L. In silico predictions of retained fraction were 0.31 and 0.29 for 1 μm and 0.66 and 0.62 for 2.9 μm during slow and fast breathing, respectively, and compared well with experimental data (1 μm: 0.31 ± 0.01 (slow) and 0.27 ± 0.01 (fast), 2.9 μm: 0.63 ± 0.03 (slow) and 0.68 ± 0.02 (fast)). Furthermore, these results provide a great deal of confidence in the validity and reliability of our approach.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Shear Stress Dependence of Force Networks in 3D Dense Suspensions

The geometric organization and force networks of 3D dense suspensions that exhibit both shear thinning and thickening have been examined as a function of varying strength of interparticle attractive interactions using lubrication flow discrete element simulations. Significant rearrangement of the geometric topology does not occur at either the local or global scale as these systems transition across the shear thinning and shear thickening regimes. In contrast massive rearrangements in the balance of attractive, lubrication, and contact forces are observed with interesting behavior of network growth and competition. In agreement with prior work, in shear thinning regions the attractive force is dominant, however as the shear thickening region is approached there is growth of lubrication forces. Lubrication forces oppose the attraction forces, but as viscosity continues to increase under increasing shear stress, the lubrication forces are dominated by contact forces that also resist attraction. Contact forces are the dominant interactions during shear thickening and are an order of magnitude higher than their values in the shear-thinning regime. At high attractive interaction strength, contact networks can form even under shear thinning conditions, however high shear stress is still required before contact networks become the driving mechanism of shear thickening. Analysis of the contact force network during shear thickening generally indicate a uniformly spreading network that rapidly forms across empty domains, however the growth patterns have structure that are significantly dependent upon the strength of interparticle interactions, indicating subtle variations in the mechanism of shear thickening.

Edens, Lance E.↗
DOE OSTI2025

Design of a robot-automated flat plate/reflection geometry x-ray diffraction setup for accelerated materials discovery and structural screening

Here, we report the design, construction, and automation of a flat plate sample loading, alignment, and data acquisition system for X-ray diffraction measurements in reflection geometry implemented at the Stanford Synchrotron Radiation Lightsource. The system is built onto a single platform, enabling facile transferability, and is compartmentalized into sample storage, sample transfer, and sample position/alignment segments. The core feature of this system is a six-axis robotic arm that offers a large range of highly reproducible and programable movements. The degrees of freedom of the robot arm enable adaptability in which movements can be modified to fit various beamline environments and sample configurations. Samples are housed on 3D printed sample mounts, which are arranged onto a 6 × 2 array of sample cassettes capable of holding 7 samples. Using sample mounts designed for solid oxide electrolysis button cells (SOECs), the maximum tray capacity is 84 samples, which can be aligned and run in ~ 24 hours with long exposure scans. The sample array is additionally capable of accommodating a range of sample sizes and geometries due to the rapid 3D printed fabrication. The components of the setup will be described in detail and performance will be demonstrated with a set of representative SOEC and XRD standard samples. Opportunities for future developments and integration with the automated setup are summarized.

08 HYDROGEN↗
DOE OSTI2023

Orbital hybridisation effects in B2 phase Cr doped Co 2 MnAl

Here we investigate here the magnetic, transport, local structural and electronic properties of Co 2 Mn 1−x Cr x Al (x = 0, 0.05, 0.1 and 0.2). Our results show that all the compounds stabilise in B2 phase and are ferromagnets. The results reveal disorder at the structural and magnetic levels. X-ray absorption near edge structure (XANES) analysis reveal signature of antisite disorder between Mn and Al atoms with equal ratio. The electronic structure calculations suggest enhancement in the half metallicity, localisation of electrons at the Fermi level and an increment in density of states with doping. The combined results of electronic structure calculations and XANES studies suggest transfer of electrons to the Co site. The results of high temperature resistivity measurements suggest the conduction electrons are undergoing transition from delocalisation to weak localisation to activated behaviour with Cr doping. The extended x-ray absorption spectroscopic analysis shows that the local structure around Mn atom is different from the global structure as obtained from the x-ray diffraction results. The behaviour of the edge region is in line with the trend as obtained from the compositional analysis. We observe link between the hybridisation of 3d like states at the Mn, Cr sites with that at the Co site and the transport properties. This could help in understanding the unusual decrement in the lattice parameter with doping. These results reveal the role of local structure in understanding the physical properties of such systems.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Experimental realization of an additively manufactured monatomic lattice for studying wave propagation

Increasing interest in wave propagation in phononic systems and metamaterials motivates the development of experimental designs, measurement techniques, and fabrication methods for use in basic research and classroom demonstrations. The simplest phononic system, the monatomic chain, exhibits rich physics such as dispersion and frequency-domain filtering. However, a limited number of experimental studies showcase monatomic chains for macroscale observation of phonons. Herein, we discuss the design, fabrication, and testing of monatomic lattices as enabled by three-dimensional (3D) printing. Using this widely available technology, we provide design guidelines for realization of a monatomic chain composed of 3D printed serpentine springs and press-fitted cylindrical masses. We also present measurement techniques that record propagating waves and algorithms for the experimental determination of dispersion behavior.

Mork, Nehemiah↗
DOE OSTI2023

IRAD

IRAD (Ion Irradiation and Radiation Damage) is an open-source GUI for SRIM-like vacancy production and implanted ion profile calculations. Using updated databases, IRAD is accessible at https://code.ornl.gov/liny/irad for Windows systems. It performs energy-corrected Iradina calculations, automatically determining dpa and implanted ion concentration, considering total ion fluence. Additional results like ion trajectories, final positions, stopping power distribution, etc., are available. Advanced settings permit customization of parameters such as stopping power database, incident ion angle, and 3D target simulations.

Lin, Yan-Ru [Oak Ridge National Laboratory (ORNL),↗
DOE OSTI2022

Preliminary Thermal-hydraulics and Selected Safety Analysis for Holos-Quad Reactor Design

This report presents thermal hydraulics and safety analyses of the 10 MWe Holos-Quad micro-reactor design developed by HolosGen LLC. These analyses were executed under steady-state and station black-out (SBO) transient conditions using the System Analysis Module (SAM), with a focus on ensuring peak fuel temperatures do not exceed the safety thresholds of 1,250°C for steady state normal operating conditions and 1,600°C for transient conditions. For steady-state temperature predictions, a coupled 1D fluid-to-3D solid heat conduction methodology was used. The steady-state simulations included a model of the central core region where power peaking occurs to predict the maximum steady-state fuel temperature, and a coarse-mesh full-core model to provide the initial condition for the consequent transient SBO decay heat removal simulation. The maximum fuel temperature predicted from the central core region simulations under the normal operating condition was 1,222°C, which is below the design limit 1,250°C. To simulate a SBO transient, a full core model was necessary because of the non-axial symmetric core design and heat loss from the outer core structures to the environment. To reduce the required computational costs, a novel scaled subassembly approach was used to model the full core domain. With the full core steady-state temperature distribution provided as the initial condition, the passive decay heat removal of the core was simulated with the scaled subassembly full core model under SBO transient conditions. This analysis showed that the peak fuel temperatures of the Holos-Quad core remained below their steady-state values during the transient, therefore much lower than the safety limit 1,600°C. This is mainly due to the large thermal inertia of the graphite matrix, relatively low power density, and the large surface-to-volume-ratio of the core. The preliminary analyses presented in this report confirm the inherent safety of the Holos-Quad micro-reactor thermal-hydraulics design, as the peak fuel temperatures under both normal and off-normal operational conditions remain within design and safety limits.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗