SEARCH · Search NASA
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.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
Using simulations and experiments, we propose a protocol for the programmable templated self-assembly of light-activated self-propelled particles. Additionally, we identify the scaling relations for the assembly's characteristic times.
Cyclically conjugated porphyrin trimers were prepared via a concise synthetic method. Zn-Trimer-1 displayed strong exciton coupling, suggesting the presence of effective electronic interactions. UV-Vis absorption and fluorescence spectra obtained through titration studies on the donor–acceptor adduct (Zn-Trimer-1–C60Im) indicate the occurrence of excited state photo-events. Inspired by nature's photosynthetic process of plants and bacteria, electronically interacting multiporphyrinic systems have long been investigated as synthetic models of natural photosynthetic systems. Remarkable successes have been achieved with cyclic porphyrin arrays, where porphyrins are arranged in a wheel-like structure or nanoring as photosynthetic antennae. Considerable efforts have also been devoted to constructing other porphyrin arrays such as molecular wires for potential applications in sensors, solar energy conversion, non-linear optical (NLO) materials, and more. Due to synthetic difficulties, cyclically conjugated porphyrin arrays in which porphyrins are arranged in planar geometry are very rare. Very recently, Anderson and coworkers have reported unprecedented β,β-directly linked porphyrin trimers and tetramers with different geometries, propeller and saddle, respectively, which result in distinct photophysical and electrochemical properties (Fig. 1a). In this paper, we present novel cyclically conjugated porphyrin trimers, which feature planar geometry with porphyrins assembled around the aromatic triphenylene at the center (Fig. 1b).
As nations unite to curb anthropogenic greenhouse gas emissions, the decarbonization of the chemical industry has been propelled to the forefront of scientific research. Renewable electricity will play a central role in this effort. In addition to powering chemical plants and allowing for the sustainable production of heat to drive thermocatalytic processes, renewable electricity also provides the chemical industry with opportunities to engage in the sustainability revolution and broadly reduce its environmental footprint through breakthrough innovations in direct electrochemical transformations. The electrification of chemical synthesis—electrosynthesis—is a promising route to promote sustainability without compromising economic competitiveness. Electrosynthesis uses electrons both as an energy source to drive reactions and as a green reagent for chemical reductions and oxidations under ambient conditions. Therefore, it holds tremendous potential (pun intended) to increase selectivity to desired products, open green reaction pathways for challenging transformations (e.g., Birch reduction, epoxidations, coupling reactions), and reduce chemical waste.
Across a variety of spatial scales, from nanoscale biological systems to micron-scale colloidal systems, equilibrium self-assembly is entirely dictated by—and therefore limited by—the thermodynamic properties of the constituent materials. In contrast, nonequilibrium materials, such as self-propelled active matter, expand the possibilities for driving the assemblies that are inaccessible in equilibrium conditions. Recently, a number of works have suggested that active matter drives or accelerates self-organization, but the emergent interactions that arise between solutes immersed in actively driven environments are complex and poorly understood. Here, we analyze and resolve two crucial questions concerning actively driven self-assembly: (i) how, mechanistically, do active environments drive self-assembly of passive solutes? (ii) Under which conditions is this assembly robust? We employ the framework of odd hydrodynamics to theoretically explain numerical and experimental observations that chiral active matter, i.e., particles driven with a directional torque, produces robust and long-ranged assembly forces. Overall, these developments constitute an important step towards a comprehensive theoretical framework for controlling self-assembly in nonequilibrium environments.
Here, we numerically examine a system of monodisperse self-propelled particles interacting with each other via simple steric forces and aligning torques moving through a periodic array of obstacles. Without obstacles, this system shows a transition to a polarized or aligned state for critical alignment parameters. In the presence of obstacles, there is still a polarization transition, but for dense enough arrays, the polarization is locked to the symmetry directions of the substrate. When the obstacle array is made anisotropic, at low densities the particles can form a quasi-isotropic state where the system can be polarized in any of the dominant symmetry directions. For intermediate anisotropy, the particles self-organize into a coherent lane state with one-dimensional polarization. In this phase, a small number of highly packed lanes are adjacent to less dense lanes that have the same polarization, but lanes further away can have the opposite polarization, so that global polarization is lost. For the highest anisotropy, hopping between lanes is suppressed, and the system forms uniformly dense uncoupled but polarized lanes.
Edge localized modes (ELMs) are routinely observed in H-mode plasma regimes of the National Spherical Torus Experiment (NSTX). Due to the explosive nature of the instability, only diagnostics with high temporal and spatial resolution could provide a detailed insight into the dynamics associated with the ELMs. Gas-puff imaging at NSTX provides 2D measurements of the magnetic field aligned fluctuations (e.g., ELM filaments) in the scrape-off layer and at the plasma edge with 2.5 μs temporal and 10 mm optical resolution. A novel analysis technique was developed to estimate the frame-by-frame velocities and the spatial parameters of the dominant structures associated with the ELMs. The analysis was applied to single ELM events to characterize the ELM crash dynamics and then extended to a database of 159 ELM events. Statistical analysis was performed in order to find the characterizing dynamics of the ELM crash. The results show that on average, an ELM crash consists of a filament with a circular cross section, which is propelled outward with a characterizing peak radial velocity of ~3.3 km/s. The radial velocity was found to be linearly dependent on the distance of the filament from the separatrix, which has never been seen before. The ELM filament is characterized by propagation in the ion-diamagnetic direction poloidally with a peak velocity of 11.4 km/s. The ELM crash lasts for approximately 100 μs until the radial propulsion settles back to the pre-ELM level. Furthermore, the experimental findings were compared with analytical theory. Two possible mechanisms were identified for explaining the observations: the curvature interchange model and the current–filament interaction model.
Topological structures in ferroic materials have drawn great interest in recent years due to the richness of the underlying physics and the potential for applications in next generation electronics. Recent advances in atomically precise thin-film materials synthesis and characterization of structural/physical phenomena at unprecedented length/energy/time scales have enabled us to study exotic phases and their associated physics [Rößler et al., Nature 442, 797 (2006); S. Das, Nature 568, 368 (2019); Yadav et al., Nature 530, 198 (2016); and Stoica et al., Nat. Mater. 18, 377 (2019)]. It is appropriate that, in the second century of ferroelectrics, some dramatic discoveries are propelling the field into directions heretofore unimaginable. In this review, we explore the recent progress in ferroelectric-oxide superlattices in which researchers can control structure and physical properties through the application of epitaxial strain, layer thickness, temperature, electric field, etc. We provide a discussion of exotic topological structures (e.g., closure domains, vortices, polar skyrmions, and other exotic phases) and associated functionalities in ferroelectric/paraelectric superlattices. We conclude with a brief overview of and prospects for how the field may evolve in the coming years.
Hall effect thrusters operating at power levels in excess of several hundreds of kilowatts have been identified as enabling technologies for applications such as lunar tugs, large satellite orbital transfer vehicles, and solar system exploration. These large thrusters introduce significant testing challenges due to the propellant flow rate exceeding the pumping speed available in most laboratories. Even with proposed upgrades in mind, the likelihood that multiple vacuum facilities will exist in the near future to allow long duration testing of high-power Hall thrusters operating at power levels in excess of 100 kW remains extremely low. In this article, we numerically explore the feasibility of testing Hall thrusters in a quasi-steady mode defined by pulsing the mass flow rate between a nominal and a low value. Here, our simulations indicate that sub-second durations available before the chamber reaches critical pressure are sufficiently long to achieve the steady-state current and flow field distributions, allowing us to characterize thruster performance and the near plume region.
We show although it is well-established that voids profoundly influence the initiation and reaction behaviors of heterogeneous energetic materials such as polymer-bonded explosives (PBX) and propellants, there has been little study of how void location in different constituents in the microstructures of such materials affect the macroscale behavior. Here, we use three-dimensional (3D) mesoscale simulations to study how void placement within the reactive grains versus the polymer binder influences the shock-to-detonation transition (SDT) in a polymer-bonded explosive. The material studied here has a microstructure comprised of 75% PETN (pentaerythritol tetranitrate) grains and 25% HTPB (hydroxyl-terminated polybutadiene) polymer binder by volume. Porosities up to 10% in the form of spherical voids distributed in both the grains and polymer are considered. An Arrhenius reactive burn relation is used to model the chemical kinetics of the PETN grains under shock loading, thereby resolving the heterogeneous detonation behavior of the PBX. The influence of void location on the shock initiation sensitivity of the material is quantitatively ranked by comparing the predicted run distance to detonation (RDD) for each sample. The analysis includes inherent quantification of uncertainties arising from the stochastic variations in the microstructure morphologies and void distributions by using statistically equivalent microstructure sample sets (SEMSS), leading to probabilistic formulations for the RDD as a function of shock pressure. The calculations reveal that the location of voids in the composite microstructure significantly affects the RDD. Specifically, voids exclusively within the grains cause the PBX to be more sensitive (having shorter RDD) than voids in the polymer binder. Unique probabilistic relationships are derived to map the probability of observing RDD for each void location material case, allowing for prediction of initiation behavior anywhere in the shock pressure – RDD space. These findings agree with trends reported in the literature.
One of the most prominent applications of modern particle accelerators is the generation of radiation. In a synchrotron or an x-ray free electron laser (XFEL), high energy electrons oscillating in periodic magnetic structures emit bright x rays. In spite of their scientific appeal that will remain evident for many decades, one limitation of synchrotrons and XFELs is their typical mile-long size and their cost, which often limits access to the broader scientific community. Here, this tutorial reviews the principles and prospects of using plasmas produced by intense lasers as particle accelerators and x-ray light sources, as well as some of the applications they enable. A plasma is an ionized medium that can sustain electrical fields many orders of magnitude higher than that in conventional radio frequency accelerator structures and can be used to accelerate electrons. When short, intense laser pulses are focused into a gas, it produces electron plasma waves in which electrons can be trapped and accelerated to GeV energies. This process, laser-wakefield acceleration (LWFA), is analogous to a surfer being propelled by an ocean wave. Many radiation sources, from THz to gamma-rays, can be produced by these relativistic electrons. This tutorial reviews several LWFA-driven sources in the keV-MeV photon energy range: betatron radiation, inverse Compton scattering, bremsstrahlung radiation, and undulator/XFEL radiation. X rays from laser plasma accelerators have many emerging applications. They can be used in innovative and flexible x-ray imaging and x-ray absorption spectroscopy configurations, for use in biology, industry, and high-energy density science.
We demonstrate a methodology for diagnosing the multiscale dynamics and energy transfer in complex HED flows with realistic driving and boundary conditions. The approach separates incompressible, compressible, and baropycnal contributions to energy scale-transfer and quantifies the direction of these transfers in (generalized) wavenumber space. We use this to compare the kinetic energy (KE) transfer across scales in simulations of 2D axisymmetric vs fully 3D laser-driven plasma jets. Using the FLASH code, we model a turbulent jet ablated from an aluminum cone target in the configuration outlined. We show that, in addition to its well known bias for underestimating hydrodynamic instability growth, 2D modeling suffers from significant spurious energization of the bulk flow by a turbulent upscale cascade. In 2D, this arises as vorticity and strain from instabilities near the jet's leading edge transfer KE upscale, sustaining a coherent circulation that helps propel the axisymmetric jet farther ( ≈25% by 3.5 ns) and helps keep it collimated. In 3D, the coherent circulation and upscale KE transfer are absent. Here, the methodology presented here may also help with inter-model comparison and validation, including future modeling efforts to alleviate some of the 2D hydrodynamic artifacts highlighted in this study.
Metallic hydrogen (MH) has been predicted to be metastable, a high temperature superconductor, and a powerful rocket propellant. If true, MH could have an enormous impact on society. We have produced MH in a diamond anvil cell and studied its metastability. At a temperature of 5 K, the load on the metallic hydrogen was stepwise reduced until the pressure was essentially zero. While turning the load or pressure down, the sample evidently transformed to the molecular phase and escaped; the hole in the gasket containing the MH closed. We were unable to determine this value of the metastability pressure. Metallic hydrogen was not observed to be metastable at zero pressure, with no uncertainty.
Pursuing controlled fusion is a monumental endeavor that promises to unlock a transformational source of clean energy. Here, the International Sherwood Fusion Theory Conference is a crucial platform for researchers to discuss the physics governing plasmas in fusion-relevant configurations. From exploring the fundamental properties of plasma to cutting-edge computer simulation techniques, this conference fosters innovation and collaboration, propelling us closer to realizing the dream of a fusion-powered future.
Damage in the microstructures of energetic materials (EMs), such as propellants and plastic bonded explosives (PBXs), can significantly alter their response to external loads. Both sensitization and desensitization can occur, causing concerns with safety and performance in the field; predictive models that connect damage and the sensitivity of EMs can enable design and provide confidence in their robustness and reliability. However, modeling of damage evolution is challenging for real microstructures of EMs; samples of damaged EMs are difficult to obtain, thereby hindering experiments and direct numerical simulations to determine the sensitivity of EMs at various stages of damage. Here, we develop an approach to generate synthetic, i.e., in silico produced, damaged microstructures for use in simulations to connect damage levels to sensitivity. The development of the present workflow to generate and impose varying levels of damage in microstructures, known as HEDS (Heterogeneous Energetic Material Damage Simulator), begins with a small set of images of damaged PBXs and combines a collection of deep neural network techniques to generate microstructures with varying levels of damage. By making the synthetic microstructures conform closely to those observed in available real, imaged microstructures, we develop an ensemble of damaged microstructures that can be used for in silico shock experiments. HEDS develops these microstructure ensembles as level set fields, which are directly employed in a sharp interface Eulerian hydrocode where shock simulations are performed to quantify the energy release rate from hotspot fields generated in the microstructure. These capabilities can be useful for the analysis and assessment of changes in the sensitivity of EMs and to design formulations that are less susceptible to damage-induced changes in sensitivity and performance.
Micron-scale robots require systems that can morph into arbitrary target configurations controlled by external agents such as heat, light, electricity, and chemical environment. Achieving this behavior using conventional approaches is challenging because the available materials at these scales are not programmable like their macroscopic counterparts. To overcome this challenge, we propose a design strategy to make a robotic machine that is both programmable and compatible with colloidal-scale physics. Our strategy uses motors in the form of active colloidal particles that constantly propel forward. We sequence these motors end-to-end in a closed chain forming a two-dimensional loop that folds under its mechanical constraints. We encode the target loop shape and its motion by regulating six design parameters, each scale-invariant and achievable at the colloidal scale. We demonstrate the plausibility of our design strategy using centimeter-scale robots called kilobots . We use Brownian dynamics simulation to explore the large design space beyond that possible with kilobots, and present an analytical theory to aid the design process. Multiple loops can also be fused together to achieve several complex shapes and robotic behaviors, demonstrated by folding a letter shape “M,” a dynamic gripper , and a dynamic pacman . The material-agnostic, scale-free, and programmable nature of our design enables building a variety of reconfigurable and autonomous robots at both colloidal scales and macroscales.
Active matter, both synthetic and biological, demonstrates complex spatiotemporal self-organization and the emergence of collective behavior. A coherent rotational motion, the vortex phase, is of great interest because of its ability to orchestrate well-organized motion of self-propelled particles over large distances. However, its generation without geometrical confinement has been a challenge. Here, we show by experiments and computational modeling that concentrated magnetic rollers self-organize into multivortex states in an unconfined environment. We find that the neighboring vortices more likely occur with the opposite sense of rotation. Our studies provide insights into the mechanism for the emergence of coherent collective motion on the macroscale from the coupling between microscale rotation and translation of individual active elements. These results may stimulate design strategies for self-assembled dynamic materials and microrobotics.
Significance Recent experiments have suggested that the energy released by a chemical reaction can propel its enzyme catalyst (for example, alkaline phosphatase). However, this topic remains controversial, partially due to the indirect and ensemble nature of existing measurements. Here, we used recently developed single-molecule approaches to monitor directly the motions of individual proteins in aqueous solution and find that single alkaline phosphatase enzymes do not diffuse faster under catalysis. Instead, we demonstrate that interactions between the fluorescent dye and the enzyme’s substrate can produce the signature of apparent diffusion enhancement in fluorescence correlation spectroscopy, the standard ensemble assay currently used to study enzyme diffusion and indicate that single-molecule approaches provide a more robust means to investigate diffusion at the nanoscale.
Negative drag coefficients are normally associated with a vessel outfitted with a sail to extract energy from the wind and propel the vehicle forward. Therefore, the notion of a heavy vehicle, that is, a semi truck, that generates negative aerodynamic drag without a sail or any external appendages may seem implausible, especially given the fact that these vehicles have some of the largest drag coefficients on the road today. However, using both wind tunnel measurements and computational fluid dynamics simulations, we demonstrate aerodynamically integrated vehicle shapes that generate negative body-axis drag in a crosswind as a result of large negative frontal pressures that effectively “pull” the vehicle forward against the wind, much like a sailboat. While negative body-axis drag exists only for wind yaw angles above a certain analytical threshold, the negative frontal pressures exist at smaller yaw angles and subsequently produce body-axis drag coefficients that are significantly less than those of modern heavy vehicles. The application of this aerodynamic phenomenon to the heavy vehicle industry would produce sizable reductions in petroleum use throughout the United States.