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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Sensitivity of organized convective storms to model grid spacing in current and future climates

Mesoscale convective systems (MCSs) are complexes of thunderstorms that become organized and cover hundreds of kilometres over several hours. MCSs are prolific rain producers in the tropics and mid-latitudes and are the major cause of warm-season flooding. Traditionally, climate models have difficulties in simulating MCSs partly due to the misrepresentation of complex process interactions that operate across a large range of scales. Significant improvements in simulating MCSs have been found in kilometre-scale models that explicitly simulate deep convection. However, these models operate in the grey zone of turbulent motion and have known deficiencies in simulating small-scale processes (e.g. entrainment, vertical mass transport). Here, we perform mid-latitude idealized ensemble MCS simulations under current and future climate conditions in three atmospheric regimes: hydrostatic (12 km horizontal grid spacing; Δx), non-hydrostatic (Δx = 4, 2 and 1 km) and large eddy scale (Δx = 500 m and 250 m). Our results show a dramatic improvement in simulating MCS precipitation, movement, cold pools, and cloud properties when transitioning from 12 km to 4 km Δx. Decreasing Δx beyond 4 km results in modest improvements except for up- and downdraft sizes, average vertical mass fluxes, and cloud top height and temperature, which continue to change. Most important for climate modelling is that Δx = 4 km simulations reliably capture most MCS climate change signals compared to those of the Δx = 250 m runs. Significantly different climate change signals are found in Δx = 12 km runs that overestimate extreme precipitation changes by up to 100%.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Near wake evolution of a tidal stream turbine due to asymmetric sheared turbulent inflow with different integral length scales

Tidal stream turbines deployed at highly energetic open water sites are subjected to sheared inflow in the rotor plane. The inflow shear is expected to cause asymmetric loading on the rotor blades and affect the downstream wake. In the current study, two different turbulent inflow conditions, static-high shear and dynamic shear, were generated via an active-grid turbulence generator. A 1:20 scaled three-bladed horizontal axis tidal turbine model was tested in those conditions. The results were compared to a quasi-laminar case with no imposed turbulence or shear. The results show that the high shear reduces the average performance, with a drop of up to 16% in the optimal power coefficient. Besides, the shear profiles increase torque fluctuations and induce significant differences in wake hydrodynamics between the high-speed (upper) and low-speed (lower) regions. The large integral length scales further enhance the load fluctuations perceived by the rotor but have a negligible effect on the mean wake field quantities and the wake recovery. The lower half region featured a faster breakdown of tip vortex structure and a rapid drop of swirl number, a phenomenon conjectured to be a consequence of the strong turbulence intensities and Reynolds stresses in the lower half region. Furthermore, the sheared turbulent inflow also results in a very intensive energy redistribution process towards large-scale, low-frequency motions, which is important to the downstream turbines.

16 TIDAL AND WAVE POWER↗
DOE OSTI2024

Multivariate degradation modeling using generalized cauchy process and application in life prediction of dye-sensitized solar cells

Recently, the Generalized Cauchy (GC) process has been applied to capture a Long Memory (LM) phenomenon in product degradation modeling and life prediction. Compared with the traditional fractional Brownian motion that captures the LM using a single Hurst parameter, the GC process has two free parameters (Hurst and fractal dimension parameters) that flexibly capture both global LM and local irregularity. However, all existing GC-based degradation models are for a single Degradation Characteristic (DC). In this article, motivated by a real degradation problem of dye-sensitized solar cells that jointly exhibits multiple DCs, global LM, local irregularity and DC-wise cross-correlation, we propose a novel GC-based Multivariate Degradation Model (GC-MDM) to simultaneously capture the aforementioned effects. A maximum likelihood estimation approach is developed to estimate parameters of the GC-MDM. Subsequently, product life prediction based on the GC-MDM is developed. The proposed GC-MDM is validated through a simulation study and a physical experiment of dye-sensitized solar cells. Furthermore, results show that the proposed GC-MDM fundamentally improves the life prediction accuracy in comparison with conventional degradation models which significantly misestimate the uncertainty of product life.

14 SOLAR ENERGY↗
DOE OSTI2026

Ultrafast Proton-Coupled Electron Transfer Reactions at Unit Quantum Yield

Proton-coupled electron transfer (PCET) reactions mediate essential biological energy-conversion processes, yet dynamical experiments that distinguish concerted electron/proton motion from sequential electron-transfer/proton-transfer pathways are unprecedented on ultrafast time scales. Here we report a tightly coupled donor–spacer–acceptor assembly, NDI-Sp-PhOH/BI, that enables direct interrogation of light-triggered and ultrafast PCET dynamics. Photoexcitation of the naphthalene diimide chromophore drives charge separation forming NDI radical anion and benzimidazolium phenoxy radical (PhO●/BIH+) products with a 440 fs time constant, followed by thermal charge recombination on a 5 ps time scale. Transient visible/near-infrared and mid-infrared spectroscopies independently track electron and proton motion and reveal coincident formation and decay of the charge-separated PCET products, excluding detectable phenol radical cation or phenoxide intermediates expected for sequential electron transfer-proton transfer (ET-PT) pathways. Surface-hopping quasiclassical trajectory simulations demonstrate rapid proton relocation coupled to evolution from locally excited to charge-transfer states, congruent with a concerted mechanism. These combined spectroscopic and computational results establish NDI-Sp-PhOH/BI as an archetype for ultrafast, concerted PCET occurring with unit quantum yield; further, because this platform provides distinct electronic and vibrational spectroscopic handles in its ground, electronically excited, and charge-separated states, it provides new opportunities to characterize mechanistic crossover in biomimetic PCET systems.

10 SYNTHETIC FUELS↗
DOE OSTI2024

Multi‐Scale Seismic Imaging of the Ridgecrest, CA, Region With Waveform Inversion of Regional and Dense Array Data

Abstract We develop an inversion procedure for deriving multi‐scale velocity models with waveform inversions of earthquake and ambient noise data at multi‐frequency bands recorded by regional and dense sensor configurations. The method is applied for the area around the 2019 Ridgecrest earthquake rupture zones, utilizing data recorded by regional stations and dense 2D and 1D arrays with station spacings of ∼5 km and ∼100 m, respectively. Starting with regional Vp, Vs models and locations of Ridgecrest aftershocks, the velocity models and event locations are improved iteratively by inversions of waveforms recorded by regional stations and the 2D array, using a minimum spectral element size of ∼600 m. Waveforms from local events recorded by dense 1D arrays across the M7.1 rupture zone with frequencies of up to 10 Hz are used to resolve small‐scale features of the rupture zone and shallow crust with a local spectral element size of 80 m. The refined models provide self‐consistent descriptions of the rupture zone and the shallow crust embedded in the regional structures. The results reveal pronounced low Vs and high Vp/Vs in the M6.4 and M7.1 rupture zones coinciding with concentrations of seismicity, and also around the Garlock fault and in several local basins. We also observe clear velocity contrasts across the Garlock fault with polarity reversals along strike and with depth. The obtained multi‐scale velocity models can be used to improve derivations of earthquake source properties, simulations of dynamic ruptures and ground motions, and the understanding of fault and tectonic processes in the region.

Geochemistry & Geophysics↗
DOE OSTI2025

MTUQ: a framework for estimating moment tensors, point forces, and their uncertainties

SUMMARY We introduce MTUQ, an open-source Python package for seismic source estimation and uncertainty quantification, emphasizing flexibility and operational scalability. MTUQ provides MPI-parallelized grid search and global optimization capabilities, compatibility with 1-D and 3-D Green’s function database formats, customizable data processing, C-accelerated waveform and first-motion polarity misfit functions, and utilities for plotting seismic waveforms and visualizing misfit and likelihood surfaces. Applicability to a range of full- and constrained-moment tensor, point force, and centroid inversion problems is possible via a documented application programming interface, accompanied by example scripts and integration tests. We demonstrate the software using three different types of seismic events: (1) a 2009 intraslab earthquake near Anchorage, Alaska; (2) an episode of the 2021 Barry Arm landslide in Alaska; and (3) the 2017 Democratic People’s Republic of Korea underground nuclear test. With these events, we illustrate the well-known complementary character of body waves, surface waves, and polarities for constraining source parameters. We also convey the distinct misfit patterns that arise from each individual data type, the importance of uncertainty quantification for detecting multimodal or otherwise poorly constrained solutions, and the software’s flexible, modular design.

58 GEOSCIENCES↗
DOE OSTI2023

Bucket Loading Trajectory Optimization for the Automated Wheel Loader

The bucket motion of a wheel loader during the loading process is investigated in this study. The optimal bucket loading trajectory can be obtained by solving an optimal control problem with the performance criteria of the fill factor , fuel efficiency and operation cycle time . A control-oriented model for the bucket loading operation is developed. Based on the control-oriented model, the bucket loading process is formulated as an optimal control problem with physical constraints. An open-source optimization solver, OpenOCL, is used to solve this problem. The simulation results show that the proposed method is effective in generating the optimal trajectory with significantly increased energy efficiency and productivity. Furthermore, this optimal trajectory can be employed as a reference for an automated wheel loader or as a driver advisory for a human operated wheel loader.

42 ENGINEERING↗
DOE OSTI2020

Ball Motion and Near-Field Spray Characteristics of a Gasoline Direct Injection Injector using an X-ray Phase-Contrast Imaging Technique under High-Injection Pressures

Here, the purpose of this study is to visualize the ball (needle) motion and near-field spray characteristics of a gasoline direct injection injector under different injection conditions and analyze the effect of the internal structure of the injector on the ball motion, near-field spray velocity, and post-injection process. The injection pressure is set to 10MPa, 20 MPa, and 30 MPa, and the energization duration is fixed at 1.5 ms. An advanced X-ray technique with high transmittance and low scattering, is used to visualize the internal structure and near-field spray characteristics of the injector, which is impossible with general light sources. The ball is found to tilt to the right in the Y-axial direction during stable motion because the driving force of fuel on the ball is larger on the left side owing to the larger distance of the ball from the left wall. In addition, during stable motion, the near-field velocity of a hole with a smaller inlet angle is significantly higher than that of a hole with a larger inlet angle. The hole with a smaller inlet angle display better atomization characteristics during the post-injection process under all values of injection pressure.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Multibody for Everybody (M4E): A Symbolic Dynamics Modeling Tool with Applications in Simulation, Control, and Optimization

Developing the analytical model of a multibody system is often the initial step in control and optimization. The analytical model (equations of motion) describes a system’s time evolution under specified forcing conditions. Although developing these equations is easy for simple systems, this process becomes more complex for systems composed of multiple bodies. Deriving equations of motion for complex multibody systems requires specialized expertise in multibody dynamics, is time-consuming, and is susceptible to error. To address this issue, this paper presents an open-source, easy-to-use, systematic framework to derive symbolic equations of motion in both Python and MATLAB using the joint coordinate formulation. This formulation results in a set of ordinary differential equations that use the minimum set of coordinates needed to model a system. The symbolic representation provides better insight into the influence of design parameters on system performance, facilitates sensitivity analysis and parameter studies, and supports direct implementation of control and optimization routines. The tool enables numerical simulation for specified parameter sets, is modular for straightforward integration with other tools and libraries, and allows incorporation of hydrodynamics, mooring, and other external forces. The result is a reproducible, extensible pipeline for modeling, simulation, and design of complex multibody systems. The proposed tool is versatile and can be applied to domains such as robotics, control, and design. In addition, we integrated external libraries that provide capabilities for modeling offshore systems such as underwater robots and marine energy converters.

16 TIDAL AND WAVE POWER↗
DOE OSTI2020

Demonstrate embedding of sensors in a relevant microreactor component

This report describes the first successful embedding of sensors in stainless steel pipe specimens and a miniature hex block to support structural health monitoring of microreactor components during electrically heated testing in non-nuclear testbed facilities. Sensors were embedded with an ultrasonic additive manufacturing process that uses a combination of downward pressure and an ultrasonic scrubbing motion to bond stainless steel foils to underlying materials. After placing sensors within cavities that have been machined to the size of the sensors, the ultrasonic bonding process fills the gaps around the sensors and embeds them within the part. Both Type K thermocouples and spatially distributed fiber-optic strain sensors were successfully embedded within two pipe specimens and a miniature hex block. After the fiber-optic sensors were embedded, they were interrogated and found to have minimal signal attenuation within the embedded region—a significant improvement compared to previous trials. This is likely because of the low-bend-loss fiber that was used, which greatly reduces microbending losses that occur after the embedding process. In addition to showing minimal signal attention, the fibers also showed adequate compressive strain, which is a strong indication that the sensors are physically embedded in the parts as opposed to simply being loosely contained inside the machined cavities. The embedded fibers were able to capture the strain induced in one of the pipe specimens while the pipe was actively heated with a moving heat source.

42 ENGINEERING↗
DOE OSTI2020

Direct matter disassembly via electron beam control: electron-beam-mediated catalytic etching of graphene by nanoparticles

Here, we report electron-beam activated motion of a catalytic nanoparticle along a graphene step edge and associated etching of the edge. The catalytic hydrogenation process was observed to be activated by a combination of elevated temperature and electron beam irradiation. Reduction of beam fluence on the particle was sufficient to stop the process, leading to the ability to switch on and off the etching. Such an approach enables the targeting of individual nanoparticles to induce motion and beam-controlled etching of matter through activated electrocatalytic processes. The applications of electron-beam control as a paradigm for molecular-scale robotics are discussed.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

The Application of Quaternions to Strap-Down MEMS Sensor Data

We describe the mathematical transformations required to convert the data recorded using typical 6-axis microelectromechanical systems (MEMS) sensor packages (3-axis rate gyroscopes and 3-axis accelerometers) when attached to an object undergoing a short duration loading event, such as blast loading, where inertial data alone are sufficient to track the object motion. By using the quaternion description, the complex object rotations and displacements that typically occur are translated into the more convenient earth frame of reference. An illustrative example is presented where a large and heavy object was thrown by the action of a very strong air blast in a complex manner. The data conversion process yielded an accurate animation of the object’s subsequent motion.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Controls and process planning strategies for 5-axis laser directed energy deposition of Ti-6Al-4V using an 8-axis industrial robot and rotary motion

Interest in multi-axis additive manufacturing has grown significantly in recent years due to associated benefits that range from improved quality to support for greater geometric complexity. A method of 5-axis Laser Hot-Wire Directed Energy Deposition is developed and demonstrated in this study using an 8-axis industrial robot, comprised of a 6-axis serial link robot and a 2 degree-of-freedom positioner. Coordinated 5-axis motion is used to print Ti-6Al-4V objects predominantly through build plate rotation. Methods of slicing and toolpath generation are presented, including the use of an alternating toolpath direction philosophy and the manipulation of the CAD model surface normal vectors for determining the required build plate tilt angles for maintaining consistent deposition orientations relative to gravity. Another objective of the study was to determine the limits of conventional slicing and layer height control techniques for printing geometries with significant unsupported overhangs. A comparison is made between the behavior of normal and conformal bead alignment in this regard, and the performance of the layer height controller is reported as it relates to process stability and the limits of printing overhang geometries. Unsupported overhangs were successfully printed at 35° without build plate tilt and 45° with build plate tilt. Toolpath velocity and net-shape printing performance are reported as well, with 3D scans of the printed surfaces used for net-shape characterization. In all, the printing of three geometries is presented, including the overhang geometry, a 5-axis toolpath geometry, and a large-scale, multi-bead demonstrator part, which exceeded 500 mm in height and weighed 44 kg (97 lbs).

36 MATERIALS SCIENCE↗
DOE OSTI2023

Reaction dynamics and in-medium nucleon-nucleon cross section with 12 C+ 1 H at 95 MeV/nucleon

Reaction dynamics and effective in-medium nucleon-nucleon (NN) cross section are studied, using the antisymmetrized molecular dynamics (AMD) model with one of the simplest heavy ion collisions, 12 C+ ⁢1 H. The roles of different stochastic processes are studied, which are installed in the original AMD. One is the diffusion process as a part of the quantum fluctuation originated from the Fermi motion during the time evolution of the wave packets in the mean field (AMD/D). The second is a coalescence treatment for light clusters with A ≤ 8 (AMD/D-COALS). The third is the collision process, installed in AMD with different form of the in-medium NN cross sections. These different processes are examined, using the experimental angular distributions and energy spectra of light charged particles and intermediate mass fragments. The effective in-medium NN cross sections are evaluated from the simulated AMD events and compared with the experimentally extracted values. A good agreement is obtained between the AMD values from the 12 C + 1 H reaction at 95 MeV/nucleon and the experimental results for nuclear matter.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Swap motion–directed twinning of nanocrystals

Twinning frequently occurs in nanocrystals during various thermal, chemical, or mechanical processes. However, the nucleation and propagation mechanisms of twinning in nanocrystals remain poorly understood. Through in situ atomic resolution transmission electron microscopy observation at millisecond temporal resolution, we show the twinning in Pb individual nanocrystals via a double-layer swap motion where two adjacent atomic layers shift relative to one another. The swap motion results in twin nucleation, and it also serves as a basic unit of movement for twin propagation. Our calculations reveal that the swap motion is a phonon eigenmode of the face-centered cubic crystal structure of Pb, and it is enhanced by the quantum size effect of nanocrystals.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Machine learning the electric field response of condensed phase systems using perturbed neural network potentials

Abstract The interaction of condensed phase systems with external electric fields is of major importance in a myriad of processes in nature and technology, ranging from the field-directed motion of cells (galvanotaxis), to geochemistry and the formation of ice phases on planets, to field-directed chemical catalysis and energy storage and conversion systems including supercapacitors, batteries and solar cells. Molecular simulation in the presence of electric fields would give important atomistic insight into these processes but applications of the most accurate methods such as ab-initio molecular dynamics (AIMD) are limited in scope by their computational expense. Here we introduce Perturbed Neural Network Potential Molecular Dynamics (PNNP MD) to push back the accessible time and length scales of such simulations. We demonstrate that important dielectric properties of liquid water including the field-induced relaxation dynamics, the dielectric constant and the field-dependent IR spectrum can be machine learned up to surprisingly high field strengths of about 0.2 V Å −1 without loss in accuracy when compared to ab-initio molecular dynamics. This is remarkable because, in contrast to most previous approaches, the two neural networks on which PNNP MD is based are exclusively trained on molecular configurations sampled from zero-field MD simulations, demonstrating that the networks not only interpolate but also reliably extrapolate the field response. PNNP MD is based on rigorous theory yet it is simple, general, modular, and systematically improvable allowing us to obtain atomistic insight into the interaction of a wide range of condensed phase systems with external electric fields.

Science & Technology - Other Topics↗
DOE OSTI2021

Critical analysis of velocimetry methods for particulate flows from synthetic data

Particle tracking methods that extract high-fidelity particle velocity data from high speed video of particle laden flows is a common experimental technique applied to chemical processes. These measurements are used to better understand the motion of particles and fluids in complex systems and create data against which computational models are validated. However, the methods, codes, and experimental setups all have limitations. It is imperative that practitioners verify the methods and their implementation as well as understand the limitations of experimental setups. This work focuses on quantifying the visible depth of field in a high particle concentration fluidized bed. Following a precedent set by the particle imaging velocimetry community, a particle velocity field is manufactured using a computational fluid dynamics and discrete element method simulation. Photo realistic high-speed videos are rendered based on the simulated data using the three-dimensional creation software Blender. Particle velocities are extracted from the synthetic high-speed videos using three variants of Particle Tracking Velocimetry and Optical Flow Velocimetry methodologies. Here, the tracked results are then compared to the known solution, quantifying the error associated with the assumed visible depth. The results indicate that at depth of one particle diameter, all three particle tracking codes give accurate measurements, largely within 5%. However, the error increases when the full bed video measurements are compared to the known solution at one particle diameter, i.e., mimicking a validation study. Finally, for some statistics the constant depth assumption only increases the error slightly, for others significantly.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Dislocation loop evolution and radiation hardening in nickel-based concentrated solid solution alloys

Effects of chemical composition, ion irradiation dose and temperature on unfaulting of irradiation induced Frank dislocation loops to perfect loops in two nickel based single-phase solid solution alloys, Ni–20Fe and NiFe–20Cr, have been studied. The fraction of Frank loops decreases with irradiation dose from 7.2 to 38.4 dpa at 500°C, but with more Frank loops remaining in the ternary alloy. However, perfect loops and dislocation networks become the dominant features of defects at 580°C in both alloys. The results indicate a thermally assisted loop unfaulting process that may be hindered by more sluggish defect motion in the alloy with more chemical components. Nano-indentation with both continuous stiffness method and single indentation method are used to measure radiation hardening. Loop unfaulting in both alloys irradiated at 580°C reduced radiation hardening while significant hardening is observed after irradiation at 500°C. The quasi-static single indentation method exhibits lower hardness results compared to continuous stiffness method, because dislocations induced from the cyclic loading in the latter method get relaxed and stabilized, resulting in higher resistance to the indenter.

36 MATERIALS SCIENCE↗