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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Quantum advantage for differential equation analysis

Quantum algorithms for differential equation solving, data processing, and machine learning potentially offer an exponential speedup over all known classical algorithms. However, there also exist obstacles to obtaining this potential speedup in useful problem instances. The essential obstacle for quantum differential equation solving is that outputting useful information may require difficult postprocessing, and the essential obstacle for quantum data processing and machine learning is that inputting the data is a difficult task just by itself. In this study, we demonstrate that, when combined, these difficulties solve one another. We show how the output of quantum differential equation solving can serve as the input for quantum data processing and machine learning, allowing dynamical analysis in terms of principal components, power spectra, and wavelet decompositions. To illustrate this, we consider continuous-time Markov processes on epidemiological and social networks. These quantum algorithms provide an exponential advantage over existing classical Monte Carlo methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Controllable vortex shedding from dissipative exchange flows in ferromagnetic channels

Ferromagnetic channels subject to spin injection at one extremum sustain long-range coherent textures that carry spin currents known as dissipative exchange flows (DEFs). In the weak injection regime, spin currents carried by DEFs decay algebraically and extend through the length of the channel, a regime known as spin superfluidity. Similar to fluids, these structures are prone to phase slips that manifest as vortex-antivortex pairs. In this work, we numerically study vortex shedding from DEFs excited in a magnetic nanowire with a physical obstacle. Using micromagnetic simulations, we find regimes of laminar flow and vortex shedding as a function of obstacle position tunable by the spin injection sign and magnitude. Vortex-antivortex pairs translate forward (VF regime) or backward (VB regime) with respect to the detector's extremum, resulting in well-defined spectral features. Qualitatively similar results are obtained when temperature, anisotropy, and weak nonlocal dipole fields are included in the simulations. These results provide clear features associated with DEFs that may be detected experimentally in devices with nominally identical boundary conditions. Furthermore, our results suggest that obstacles can be considered as DEF control gates, opening an avenue to manipulate DEFs via physical defects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Active matter commensuration and frustration effects on periodic substrates

In this report we show that self-driven particles coupled to a periodic obstacle array exhibit active matter commensuration effects that are absent in the Brownian limit. As the obstacle size is varied for sufficiently large activity, a series of commensuration effects appear in which the motility induced phase separation produces commensurate crystalline states, while for other obstacle sizes we find frustrated or amorphous states. The commensuration effects are associated with peaks in the amount of sixfold ordering and the maximum cluster size. When a drift force is added to the system, the mobility contains peaks and dips similar to those found in transport studies for commensuration effects in superconducting vortices and colloidal particles.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Clogging, dynamics, and reentrant fluid for active matter on periodic substrates

Here, we examine the collective states of run-and-tumble active matter disks driven over a periodic obstacle array. When the drive is applied along a symmetry direction of the array, we find a clog-free uniform liquid state for low activity, while at higher activity, the density becomes increasingly heterogeneous and an active clogged state emerges in which the mobility is strongly reduced. For driving along nonsymmetry or incommensurate directions, there are two different clogging behaviors consisting of a drive-dependent clogged state in the low activity thermal limit and a drive-independent clogged state at high activity. These regimes are separated by a uniform flowing liquid at intermediate activity. There is a critical activity level above which the thermal clogged state does not occur, as well as an optimal activity level that maximizes the disk mobility. Thermal clogged states are dependent on the driving direction while active clogged states are not. In the low activity regime, diluting the obstacles produces a monotonic increase in the mobility; however, for large activities, the mobility is more robust against obstacle dilution. We also examine the velocity-force curves for driving along nonsymmetry directions and find that they are linear when the activity is low or intermediate but become nonlinear at high activity and show behavior similar to that found for the plastic depinning of solids. At higher drives, the active clustering is lost. For low activity, we also find a reentrant fluid phase, where the system transitions from a high mobility fluid at low drives to a clogged state at higher drives and then back into another fluid phase at very high drives. We map the regions in which the thermally clogged, partially clogged, active uniform fluid, clustered fluid, active clogged, and directionally locked states occur as a function of disk density, drift force, and activity.

36 MATERIALS SCIENCE↗
DOE OSTI2021

FPV Video Adaptation for UAV Collision Avoidance

First person view (FPV) technology for unmanned aerial vehicles (UAVs) provides an immersive experience for pilots and enables various personal and commercial applications such as aerial photography, drone racing, search and rescue operations, agricultural surveillance, and structural inspection. While real time video streaming from a UAV and vision-based collision avoidance strategies have been studied in literature as separate topics, in this paper we tackle collision avoidance in FPV scenarios, taking into account network delays and real time video parameters. We present a theoretical model for obstacle collisions that considers the current communication channel conditions, the real time video parameters, and the UAV's position relative to the closest obstacle. A video adaptation algorithm is then designed, using this metric, to tune the FPV video resolution, number of re-transmission attempts, and the modulation scheme to maximize the probability of avoiding collisions. This algorithm also takes into account specific latency constraints of the application. This video algorithm was evaluated in various scenarios and its ability to respond to both distances to the obstacle as well as the communication channel conditions was demonstrated. It was found that, for the considered scenarios, the performance of the proposed adaptive algorithm was, on an average, 58.63% higher than the closest non-adaptive one in terms of maximizing the probability of avoiding collision. Such collision avoidance strategies could be used to make UAV FPV applications safer and more reliable.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Real-Time Radiological Source Term Estimation for Multiple Sources in Cluttered Environments

A particle filter algorithm is presented to estimate the position, strength, and cardinality of an unknown number of radioactive point sources in an obstacle-rich environment using count measurements. The algorithm addresses gaps in the prior literature by incorporating two novel elements. The first is a precomputation step in which local terrain and obstacle data is processed to compute attenuation kernels throughout the search area. This enables rapid estimation performance in obstacle-rich environments as measurements are gathered. The second novel feature is a dynamic particle allocation technique in which the number of particles is adjusted in real time to meet convergence goals. This feature allows the algorithm to scale more efficiently to scenarios with a larger number of sources. Furthermore, a series of computational experiments using simulated data demonstrates the algorithm’s performance in a cluttered environment with up to eight sources.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Using 3D Measurements from MRI to Improve VVUQ

Magnetic resonance velocimetry (MRV) is a diagnostic that can measure 3D, three-component turbulent velocity fields in arbitrarily complex flow configurations. The approach uses magnetic resonance imaging (MRI), which is a system commonly available in radiology departments or medical research centers. MRV acquires signal from hydrogen protons in water channel flows. Despite the obvious utility of the measurements for investigating a variety of flows, comparisons with computational fluid dynamic (CFD) simulations largely retain traditional metrics, comparing velocity profiles and planes at discrete regions within the flow rather than using the 3D nature of the measured field. In this effort, MRV was conducted in a simple water channel with six spanwise-centered periodic obstacles roughly shaped as cubes. At a fully turbulent Reynolds number of 15,000, the channel includes two flows: a main streamwise flow and, in the wake of the second obstacle, an injected flow oriented perpendicular to the streamwise flow. The flow geometry includes partial obstacles on the side walls and is inherently 3D because of the interaction of the two streams and the wake features, making the flow challenging to completely measure with traditional optical techniques. Aside from line profiles and planar comparisons, two 3D metrics are used to compare the data with a steady Reynolds-averaged Navier–Stokes (RANS) simulation result. A brief discussion about the comparison is provided, including comments about uncertainty.

Benson, Mike [ORNL] (ORCID:000000023210116X)↗
DOE OSTI2020

Chapter 21. Atomic-Level Dislocation Dynamics in Irradiated Metals

Primary damage and microstructure evolution in structural nuclear materials operating under conditions of a high flux of energetic atomic particles and high temperature and stress lead to the formation of a high concentration, non-homogeneous distribution of defect clusters in the form of dislocation loops, voids, gas-filled bubbles and radiation-induced precipitates of nanometer scale. They cause changes in many material properties. Being obstacles to dislocation glide, they strongly affect the mechanical properties, with an increase in yield and flow stresses and a reduction in ductility. Atomic-scale computer simulations can provide details of how these effects are influenced by the obstacle structure, applied stress, strain rate and temperature. Processes such as obstacle cutting, transformation, absorption and drag are observed. Some recent results for body-centered and face-centered cubic metals are described in this review and, where appropriate, comparisons are drawn with predictions based on the elasticity theory of crystal defects. Perspectives on how to use this information at higher scales and in particular in mesoscale, dislocation dynamics simulations are also discussed.

Osetskiy, Yury N.↗
DOE OSTI2023

Real-Time Radiological Source Term Estimation for Multiple Sources in Cluttered Environments

A particle filter algorithm is presented to estimate the position, strength, and cardinality of an unknown number of radioactive point sources in an obstacle-rich environment using count measurements. The algorithm addresses gaps in the prior literature by incorporating two novel elements. The first is a precomputation step in which local terrain and obstacle data is processed to compute attenuation kernels throughout the search area. This enables rapid estimation performance in obstacle-rich environments as measurements are gathered. The second novel feature is a dynamic particle allocation technique in which the number of particles is adjusted in real time to meet convergence goals. This feature allows the algorithm to scale more efficiently to scenarios with a larger number of sources. A series of computational experiments using simulated data demonstrates the algorithm’s performance in a cluttered environment with up to eight sources.

Kemp, Samuel↗
DOE OSTI2023

Organometal Halide Perovskite‐Based Photoelectrochemical Module Systems for Scalable Unassisted Solar Water Splitting

Despite achievements in the remarkable photoelectrochemical (PEC) performance of photoelectrodes based on organometal halide perovskites (OHPs), the scaling up of small-scale OHP-based PEC systems to large-scale systems remains a great challenge for their practical application in solar water splitting. Significant resistive losses and intrinsic defects are major obstacles to the scaling up of OHP-based PEC systems, leading to the PEC performance degradation of large-scale OHP photoelectrodes. Herein, a scalable design of the OHP-based PEC systems by modularization of the optimized OHP photoelectrodes exhibiting a high solar-to-hydrogen conversion efficiency of 10.4% is suggested. As a proof-of-concept, the OHP-based PEC module achieves an optimal PEC performance by avoiding major obstacles in the scaling up of the OHP photoelectrodes. The constructed OHP module is composed of a total of 16 OHP photoelectrodes, and a photocurrent of 11.52 mA is achieved under natural sunlight without external bias. The successful operation of unassisted solar water splitting using the OHP module without external bias can provide insights into the design of scalable OHP-based PEC systems for future practical application and commercialization.

14 SOLAR ENERGY↗
DOE OSTI2022

Multireference Methods are Realistic and Useful Tools for Modeling Catalysis

Abstract Highly correlated systems, in particular those that include transition metals, are ubiquitous in catalysis. The significant static correlation found in such systems is often poorly accounted for using Kohn Sham density functional theory methods, as they are single determinantal in nature. Applications to catalysis of more rigorous and appropriate multiconfigurational methods have been reported in select instances, but their use remains rare. We discuss obstacles that hinder the routine application of multireference (MR) wave function theoretical calculations to catalytic systems and the current state of the art with respect to removing those obstacles.

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

A Platform for Atomic Fabrication and In Situ Synthesis in a Scanning Transmission Electron Microscope

Here, the engineering of quantum materials requires the development of tools able to address various synthesis and characterization challenges. These include the establishment and refinement of growth methods, material manipulation, and defect engineering. Atomic-scale modification will be a key enabling factor for engineering quantum materials where desired phenomena are critically determined by atomic structures. Successful use of scanning transmission electron microscopes (STEMs) for atomic scale material manipulation has opened the door for a transformed view of what can be accomplished using electron-beam-based strategies. However, serious obstacles exist on the pathway from possibility to practical reality. One such obstacle is the in situ delivery of atomized material in the STEM to the region of interest for further fabrication processes. Here, progress on this front is presented with a view toward performing synthesis (deposition and growth) processes in a scanning transmission electron microscope in combination with top-down control over the reaction region. An in situ thermal deposition platform is presented, tested, and deposition and growth processes are demonstrated. In particular, it is shown that isolated Sn atoms can be evaporated from a filament and caught on the nearby sample, demonstrating atomized material delivery. This platform is envisioned to facilitate real-time atomic resolution imaging of growth processes and open new pathways toward atomic fabrication.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Fog Formation Related to Gravity Currents Interacting with Coastal Topography

An interesting mixing-fog event was identified during IOP7 of the C-FOG project, where a cold front arriving from the north-east collided with the Downs peninsula in Ferryland, Newfoundland, to produce foggy conditions. A comprehensive set of field observations suggests that this collision caused turbulent mixing of nearly saturated ambient air with an almost saturated cold front, creating conditions for mixing fog. Additionally, laboratory experiments were performed to study the interaction of lock-exchange induced gravity currents with a (rectangular) obstacle to delve into physical processes underlying this phenomenon. Instantaneous velocity and density fields were obtained using particle image velocimetry and planar laser-induced fluorescence. The observations suggest that the obstacle starts affecting the approaching gravity-current propagation at an upstream distance of 2 H and, upon collision, the mixing is taking place over a spatial scale of 0.83 H , where H is the depth of the ambient fluid layer. The time for largerscale turbulent stirring to permeate to the smallest scales of turbulence and activate the condensation nuclei was estimated as 3t * , where t* = √H/g' is the intrinsic time scale of the gravity current and g' the reduced gravity. Extrapolation of results to IOP7 showed a good agreement with observations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Phase-field dislocation modeling of cross-slip

The phase-field dislocation dynamics (PFDD) model is extended to simulate cross-slip in body-centered cubic materials. The model makes use of a non-orthogonal, body-centered cubic numerical grid such that all calculable points lie on dislocation glide planes. We demonstrate that the advanced PFDD model predicts a low-energy, non-planar core for screw dislocations and a planar core for edge dislocations. These core differences result in screw-edge character dependence in the critical stress to initiate glide and dislocation drag coefficients. Finally, we show that this model can be used to study the propensity of screw dislocations to cross-slip around or transmit through a coherent, crystallographic obstacle, depending on obstacle strength.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Entanglement Enabled Intensity Interferometry of different wavelengths of light

Highlights: • We use quantum entanglement to erase the color of photons for a new imaging method. • Can achieve higher resolution imaging by accessing hidden phase information. • We detail practical experimental designs to implement our theoretical protocols. We propose methods to perform intensity interferometry of photons having two different wavelengths. Distinguishable particles typically cannot interfere with each other, but we overcome that obstacle by processing the particles via entanglement and projection so that they lead to the same final state at the detection apparatus. Specifically, we discuss how quasi-phase-matched nonlinear crystals can be used to convert a quantum superposition of light of different wavelengths onto a common wavelength, while preserving the phase information essential for their meaningful interference. We thereby gain access to a host of new observables, which can probe subtle frequency correlations and entanglement. Further, we generalize the van Cittert–Zernike formula for the intensity interferometry of extended sources, demonstrate how our proposal supports enhanced resolution of sources with different spectral character, and suggest potential applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Integrated path planning and control through proximal policy optimization for a marine current turbine

This paper presents an integrated path planning and tracking control framework for a marine current turbine (MCT), where the MCT is treated as an energy-harvesting autonomous underwater vehicle (AUV). Considering the ocean (space of action) is continuous, the proposed framework employs two modules to address path planning and path tracking enabled by the proximal policy optimization (PPO) algorithm, which is a policy gradient deep reinforcement learning (RL) method. Further, to enable fully autonomous operation in a stochastic oceanic environment, the proposed path planning seeks a primary objective of maximizing the harvested energy; then, the path tracking module is designed to minimize the tracking error and avoid collisions with static and dynamic obstacles. Using field-collected acoustic Doppler current profiler (ADCP) data, the performance of the proposed framework is evaluated. Comparative studies with baseline algorithms in three different scenarios of path planning, path tracking without an obstacle, and path tracking with collision avoidance verify the effectiveness of our proposed approach.

16 TIDAL AND WAVE POWER↗
DOE OSTI2023

Accelerating discrete dislocation dynamics simulations with graph neural networks

Discrete dislocation dynamics (DDD) is a widely employed computational method to study plasticity at the mesoscale that connects the motion of dislocation lines to the macroscopic response of crystalline materials. However, the computational cost of DDD simulations remains a bottleneck that limits its range of applicability. Here, we introduce a new DDD-GNN framework in which the expensive time-integration of dislocation motion is entirely substituted by a graph neural network (GNN) model trained on DDD trajectories. As a first application, we demonstrate the feasibility and potential of our method on a simple yet relevant model of a dislocation line gliding through an array of obstacles. We show that the DDD-GNN model is stable and reproduces very well unseen ground-truth DDD simulation responses for a range of straining rates and obstacle densities, without the need to explicitly compute nodal forces or dislocation mobilities during time-integration. Our approach opens new promising avenues to accelerate DDD simulations and to incorporate more complex dislocation motion behaviors.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Dirty bomb source term characterization and downwind dispersion: Review of experimental evidence

Dirty bombs are considered one of the easiest forms of radiological terrorism, a form of terrorism based on the deliberate use of radiological material to cause adverse effects in a target population. One U.S. Government official has even described a dirty bomb attack as “all but inevitable”. While people in the vicinity of the blast may experience acute radiation effects, people downwind may unknowingly be contaminated by the radioactive airborne particulate and face increased long-term cancer risk. The likelihood of increased cancer risk depends on the radionuclide used and its specific activity, its aerosolization potential, the particle sizes generated in the blast, and where a person is with respect to the detonation. Different studies have reported that plausible radionuclides for dirty bomb include 60 Co, 90 Sr, 137 Cs, 192 Ir, 241 Am based on their availability in commercial sources as well as safeguards, the amount needed for adverse health effects, previous mishandling of radionuclides and malicious uses. In order to have increased long-term cancer risk, the radionuclide would have to deposit inside the body by entering the respiratory tract and then possibly migrate to other organs or bones (ground shine is not considered in this paper because areas affected by the event will likely become inaccessible). This implies that the particles will have to be smaller than 10 μm to be inhaled. Experiments involving the detonation of dirty bombs have shown that particles or droplets smaller than 10 μm are generated, independently from the initial radionuclide or its state (e.g., powder, solution). Atmospheric tests have shown that in unobstructed terrain, the radionuclide laden cloud can travel kilometers downwind even for relatively small amounts of explosives. Furthermore, buildings in the path of the cloud can change the dose rate. For instance, in one experiment with a single building, the dose rate was 1–2 orders of magnitude lower behind the obstacle compared to its front face. For people walking around, the amount of particulate deposited on them and inhaled will depend on their path relative to the cloud, resulting in the counterintuitive result that the closer people may actually not be the ones more at risk because they could simply miss the bulk of the cloud in their wandering. In summary, the long-term cancer risk for people caught in a dirty bomb cloud away from the detonation requires considering where and when the people are, which radionuclide was used, and the layout of the obstacles (e.g., buildings, vegetation) in the path of the cloud.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗