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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 127 records · Page 7

Active matter shepherding and clustering in inhomogeneous environments

Here, we consider a mixture of active and passive run-and-tumble disks in an inhomogeneous environment where only half of the sample contains quenched disorder or pinning. The disks are initialized in a fully mixed state of uniform density. We identify several distinct dynamical phases as a function of motor force and pinning density. At high pinning densities and high motor forces, there is a two-step process initiated by a rapid accumulation of both active and passive disks in the pinned region, which produces a large density gradient in the system. This is followed by a slower species phase separation process where the inactive disks are shepherded by the active disks into the pin-free region, forming a nonclustered fluid and producing a more uniform density with species phase separation. For higher pinning densities and low motor forces, the dynamics becomes very slow and the system maintains a strong density gradient. For weaker pinning and large motor forces, a floating clustered state appears, and the time-averaged density of the system is uniform. We illustrate the appearance of these phases in a dynamic phase diagram.

97 MATHEMATICS AND COMPUTING↗

Characterizing different motility-induced regimes in active matter with machine learning and noise

Here we examine motility-induced phase separation (MIPS) in two-dimensional run-and-tumble disk systems using both machine learning and noise fluctuation analysis. Our measures suggest that within the MIPS state there are several distinct regimes as a function of density and run time, so that systems with MIPS transitions exhibit an active fluid, an active crystal, and a critical regime. The different regimes can be detected by combining an order parameter extracted from principal component analysis with a cluster stability measurement. The principal component-derived order parameter is maximized in the critical regime, remains low in the active fluid, and has an intermediate value in the active crystal regime. We demonstrate that machine learning can better capture dynamical properties of the MIPS regimes compared to more standard structural measures such as the maximum cluster size. The different regimes can also be characterized via changes in the noise power of the fluctuations in the average speed. In the critical regime, the noise power passes through a maximum and has a broad spectrum with a 1/f 1.6 signature, similar to the noise observed near depinning transitions or for solids undergoing plastic deformation.

97 MATHEMATICS AND COMPUTING↗

Motility-induced phase separation and frustration in active matter swarmalators

Here we introduce a two dimensional system of active matter swarmalators composed of elastically interacting run-and-tumble active disks with an internal parameter Φ i . The disks experience an additional attractive or repulsive force with neighboring disks depending upon their relative difference in Φ i , making them similar to swarmalators used in robotic systems. In the absence of the internal parameter, the system forms a motility-induced phase separated (MIPS) state, but when the swarmalator interactions are present, a wide variety of other active phases appear depending upon whether the interaction is attractive or repulsive and whether the particles act to synchronize or ant-synchronize their internal parameter values. These phases include a gas-free gel regime, arrested clusters, a labyrinthine state, a regular MIPS state, a frustrated MIPS state for attractive antisynchronization, and a superlattice MIPS state for attractive synchronization.

97 MATHEMATICS AND COMPUTING↗

Numerical calculation of the particle–fluid–particle stress in random arrays of fixed particles

Based on the nearest particle statistics [Zhang, J. Fluid Mech. 910, A16 (2021)], the phase interaction force in a multiphase flow is decomposed into a particle–mean-field force and the divergence of the particle–fluid–particle (PFP) stress. The PFP stress is proportional to the correlation product of the distance from a particle to its nearest neighbor and the force on the particle conditionally averaged on the nearest-neighbor location. In this work, a functional form of the stress is obtained corrected to the first order of the ratio between the interparticle distance and the macroscopic length scale of the flow. Particle-resolved numerical simulations are used to calculate the PFP stress in random arrays of fixed particles and to explore the physics represented by the stress. The numerical results show that the PFP stress is attractive along the direction of the flow and is repulsive in the directions perpendicular to the flow. In the flow regime simulated, this PFP stress can be considered as a macroscopic representation of the drafting–kissing–tumbling mechanism. Finally, the Reynolds stress for the fluid phase is also calculated and compared with the PFP stress.

42 ENGINEERING↗

Transport barriers to self-propelled particles in fluid flows

Here, we present theory and experiments demonstrating the existence of invariant manifolds that impede the motion of microswimmers in two-dimensional fluid flows. One-way barriers are apparent in a hyperbolic fluid flow that block the swimming of both smooth-swimming and run-and-tumble Bacillus subtilis bacteria. We identify key phase-space structures, called swimming invariant manifolds (SwIMs), that serve as separatrices between different regions of long-time swimmer behavior. When projected into xy space, the edges of the SwIMs act as one-way barriers, consistent with the experiments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Exact results in softly broken supersymmetric chiral gauge theories with flavor

We present exact results in softly broken supersymmetric SU⁡(𝑁 𝐶 ) chiral gauge theories with charged fermions in one antisymmetric, 𝑁 𝐹 fundamental, and 𝑁 𝐶 + 𝑁 𝐹 − 4 antifundamental representations. We achieve this by considering the supersymmetric version of these theories and utilizing anomaly mediated supersymmetry breaking at a scale 𝑚 ≪ Λ to generate a vacuum. The connection to nonsupersymmetric theories is then conjectured in the limit 𝑚 → ∞. For odd 𝑁 𝐶 , we determine the massless fermions and unbroken global symmetries in the infrared. For even 𝑁 𝐶 , we find global symmetries are nonanomalous and no massless fermions. In all cases, the symmetry breaking patterns differ from what the tumbling hypothesis would suggest.

Anomalies↗

Development and validation of time‐domain 1 H‐NMR relaxometry correlation for high‐throughput phenotyping method for lipid contents of lignocellulosic feedstocks

Abstract The bioenergy crops such as energycane, miscanthus, and sorghum are being genetically modified using state of the art synthetic biotechnology techniques to accumulate energy‐rich molecules such as triacylglycerides (TAGs) in their vegetative cells to enhance their utility for biofuel production. During the initial genetic developmental phase, many hundreds of transgenic phenotypes are produced. The efficiency of the production pipeline requires early and minimally destructive determination of oil content in individuals. Current screening methods require time‐intensive sample preparation and extraction with chemical solvents for each plant tissue. A rapid screen will also be needed for developing industrial extraction as these crops become available. In the present study, we have devised a proton relaxation nuclear magnetic resonance ( 1 H‐NMR) method for single‐step, non‐invasive, and chemical‐free characterization of in‐situ lipids in untreated and pretreated lignocellulosic biomass. The systematic evaluation of NMR relaxation time distribution provided insight into the proton environment associated with the lipids in the biomass. It resolved two distinct lipid‐associated subpopulations of proton nuclei that characterize total in‐situ lipids into bound and free oil based on their “molecular tumbling” rate. The T1T2 correlation spectra also facilitated the resolution of the influence of various pretreatment procedures on the chemical composition of molecular and local 1 H population in each sample. Furthermore, we show that hydrothermally pretreated biomass is suitable for direct NMR analysis unlike dilute acid and alkaline pretreated biomass which needs an additional step for neutralization.

pretreatment↗

Phase separation, edge currents, and Hall effect for active matter with Magnus dynamics

Here we examine run-and-tumble disks in two-dimensional systems where the particles also have a Magnus component to their dynamics. For increased activity, we find that the system forms a motility-induced phase-separated (MIPS) state with chiral edge flow around the clusters, where the direction of the current is correlated with the sign of the Magnus term. The stability of the MIPS state is non-monotonic as a function of increasing Magnus term amplitude, with the MIPS region first extending down to lower activities followed by a break up of MIPS at large Magnus amplitudes into a gel-like state. We examine the dynamics in the presence of quenched disorder and a uniform drive and find that the bulk flow exhibits a drive-dependent Hall angle. This is a result of the side jump effect produced by scattering from the pinning sites and is similar to the behavior found for skyrmions in chiral magnets with quenched disorder.

97 MATHEMATICS AND COMPUTING↗

The influence of intake flow and coolant temperature on gasoline spray morphology during early-injection DISI engine operation

Multi-hole gasoline injectors operating at conditions spanning throttled early-intake stroke operation produce spray plumes that either remained separated or merge and collapse due to flash boiling. Flash boiling occurs due to the sudden expansion of gas bubbles in the liquid fuel at high fuel temperature and low ambient pressure. This study records high-speed images of spray-morphology changes due to in-cylinder flow, thereby revealing operating conditions that do and do not affect the self-induced morphology observed in quiescent vessels. Specifically, in a central-injection, four-valve, high-tumble engine, where the thermodynamic state and in-cylinder cross flow are dynamic. Motivated by cold start and hot restart operation, the fuel pressure, coolant temperature, in-cylinder air pressure, and engine rpm were systematically varied over relevant operating conditions, which bracketed the range from non- to flash-boiling sprays. The results reveal the operating conditions at which the in-cylinder cross flow disrupts the spray morphology as well as the extent of the disruption. At 650 rpm, the spray morphology was similar to that observed in quiescent vessels at nominally equivalent fuel temperature and in-cylinder pressure, indicating that the spray’s self-induced entrainment flow dominated the in-cylinder flow. However, for fuel temperature and ambient pressure near the transition between non- and flash-boiling, the intake cross flow at higher engine speed (1950 rpm) significantly disrupted the spray morphology. The high cross-flow velocity appears to induce plume merging and collapse, whereas none was evident at low rpm (650 rpm). This study led to the postulate that the spray merging and collapse are governed by the rate of atomization near the nozzle exit, presumed to be controlled by either or both aerodynamic atomization and flash-boiling intensity. It would then follow that spray modeling in CFD requires atomization models that blend the effects of both physical processes.

42 ENGINEERING↗

Pattern formation and transport for externally driven active matter on periodic substrates (a)

Abstract We investigate the transport of interacting active run-and-tumble particles moving under an external drift force through a periodic array of obstacles for increasing drive amplitudes. For high activity where the system forms a motility-induced phase-separated state, there are several distinct dynamic phases including a low drive pinned cluster phase, an intermediate uniform fluid, and a higher drive stripe crystal state. The transitions between the phases are correlated with signatures in the transport curves, differential mobility, and power spectra of the velocity fluctuations. In contrast, in the low activity regime the transport curves and power spectra undergo little change as a function of drive. We argue that in the high activity limit, the behavior is similar to that of driven solids on periodic substrates, while in the low activity limit the system behaves like a driven fluid.

36 MATERIALS SCIENCE↗

Six Degrees of Freedom (6DOF) Simulations of Supersonic Fragment Trajectories

In this report a process using existing technologies at Sandia National Laboratories (SNL) to simulate the six degrees-of-freedom (6DOF) trajectories of explosive fragments is described and tested. First, aerodynamic forces and moments as functions of orientation are computed using the SIERRA/Aero supersonic flow solver. The forces and moments are normalized and tabulated in a database. Second, this the aerodynamic coefficient database is imported into a 6DOF rigid body dynamics solver in order to compute the resulting trajectories. The supersonic flow simulations are tested for simple geometries and show good agreement with literature values. The simulation procedure is then demonstrated for an example fragment. The results of the example fragment indicate that the distance traveled in the early ight (from 2.5 km/s until decreasing down to 1 km/s) varies widely depending on the initial orientations. The fragment trajectory distribution and steady tumbling rate is explored. The study indicates that a 6DOF analysis will yield information about a spread of possible trajectories, while using an average drag coefficient can only represent the most likely trajectory.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Measuring Atmospheric Gas Using Small Satellites (Final Report)

The research focused on demonstrating that a small satellite (< 10 kg) is able to provide useable data in support of stratospheric circulation and broader atmospheric measurement generally thought to required large, lengthy and high cost space programs. The research goals targeting enabling CubeSats to serve as science platforms including low-cost communication infrastructure, science enabling solar panels and a ruggedized small form factor science instrument were highly successful with demonstrated on-orbit results. The collection of science data on-orbit was not successful due to a high tumbling rate impacted to the spacecraft at time of release on orbit, preventing reliable solar charging and leading to premature ending of the mission. The successes acquired on orbit will act as a springboard for further research and space projects at LLNL. Several research groups (both private and government) have expressed interest in the area of this research that proved successful such as the solar panels and iridium crosslink as well as the LLNL developed CubeSat standard.

42 ENGINEERING↗

Low Greenhouse Gas (GHG) Vehicle Technologies Research, Development, Demonstration and Deployment Topic 5 Natural Gas Engine Enabling Technologies

A 10 liter natural gas engine has been developed with significant improvements in efficiency while maintaining ultra low NOx emissions and meeting all other EPA criteria emissions limits. This was accomplished through design and analysis of performance components specifically for operation with natural gas in contrast to current production engines which are a minimally modified diesel engine that retain most diesel design features including a flat deck swirl head. The architecture developed here includes a pent roof cylinder head with tumble charge motion and cooling passages specifically optimized for effective cooling around the spark plug and valve bridges. Also in contrast to current production natural gas engines, EGR was not used, in part to avoid the initial cost and warranty expense associated with EGR systems, but also for performance benefits of faster combustion, reduced risk of misfire and high open cycle efficiency due to the turbocharger’s ability to extract energy from the high temperature exhaust. The exhaust manifold uses high temperature material and thermal mechanical fatigue analysis was completed to ensure the ability to withstand high exhaust temperatures without EGR. Other features include dual overhead cam with late intake valve closing Miller cycle and 14:1 compression ratio steel pistons. Low NOx emissions are achieved with stoichiometric combustion and application of a close coupled plus underfloor three way catalysts. The program target of peak brake thermal efficiency of 42% has been demonstrated along with bsNOx of 0.02 g/hp-hr over HD-FTP and RMCSET emissions cycles.

99 GENERAL AND MISCELLANEOUS↗

Hot Water Extraction: Short Rotation Willow, Mixed Hardwoods, and Process Considerations

Short rotation woody crops (SRWC) like shrub willow are highly productive biomass resources of interest for energy and fuel applications. Hot water extraction (HWE) as an upgrading tool to enable the use of willow biomass in pellet applications has been proposed, and is of increasing interest. This study treats willow and mixes of willow and conventional mixed hardwood feedstock with HWE in a tumbling laboratory reactor to elucidate the effects of time, temperature, feedstock mixes, and other process considerations (water:biomass ratio, presteaming, counter-current processing) on mass removals and other extraction outcomes (e.g., sugar, acetate, and furan yields). Results demonstrated alignment of extraction outcomes with P-factor from 155 °C to 175 °C, with a good compromise of removed mass and co-product potential in the range from 575–800 P-factor. The preferred condition was chosen as 575 P-factor. HWE of mixes of willow and hardwood feedstocks showed a linear response of extraction outcomes to willow:hardwood ratios. Testing of water:biomass ratios demonstrated that this is a significant consideration, with each outcome being affected somewhat differently, and indicating that HWE is more diffusion dependent than expected. Presteaming shows little to no effect on extraction outcomes, while multi-stage cooks simulating counter-current operation indicate a significant potential value in counter-current extraction.

09 BIOMASS FUELS↗

A Novel Sustainable Process for Multilayer Graphene Synthesis Using CO 2 from Ambient Air

Graphene produced by different methods can present varying physicochemical properties and quality, resulting in a wide range of applications. The implementation of a novel method to synthesize graphene requires characterizations to determine the relevant physicochemical and functional properties for its tailored application. We present a novel method for multilayer graphene synthesis using atmospheric carbon dioxide with characterization. Synthesis begins with carbon dioxide sequestered from air by monoethanolamine dissolution and released into an enclosed vessel. Magnesium is ignited in the presence of the concentrated carbon dioxide, resulting in the formation of graphene flakes. These flakes are separated and enhanced by washing with hydrochloric acid and exfoliation by ammonium sulfate, which is then cycled through a tumble blender and filtrated. Raman spectroscopic characterization, FTIR spectroscopic characterization, XPS spectroscopic characterization, SEM imaging, and TEM imaging indicated that the graphene has fifteen layers with some remnant oxygen-possessing and nitrogen-possessing functional groups. The multilayer graphene flake possessed particle sizes ranging from 2 µm to 80 µm in diameter. BET analysis measured the surface area of the multilayer graphene particles as 330 m 2 /g, and the pore size distribution indicated about 51% of the pores as having diameters from 0.8 nm to 5 nm. This study demonstrates a novel and scalable method to synthesize multilayer graphene using CO 2 from ambient air at 1 g/kWh electricity, potentially allowing for multilayer graphene production by the ton. The approach creates opportunities to synthesize multilayer graphene particles with defined properties through a careful control of the synthesis parameters for tailored applications.

36 MATERIALS SCIENCE↗

Spin Change of Asteroid 2012 TC4 Probably by Radiation Torques

Asteroid 2012 TC4 is a small (∼10 m) near-Earth object that was observed during its Earth close approaches in 2012 and 2017. Earlier analyses of light curves revealed its excited rotation state. We collected all available photometric data from the two apparitions to reconstruct its rotation state and convex shape model. We show that light curves from 2012 and 2017 cannot be fitted with a single set of model parameters; the rotation and precession periods are significantly different for these two data sets, and they must have changed between or during the two apparitions. Nevertheless, we could fit all light curves with a dynamically self-consistent model assuming that the spin states of 2012 TC4 in 2012 and 2017 were different. To interpret our results, we developed a numerical model of its spin evolution in which we included two potentially relevant perturbations: (i) gravitational torque due to the Sun and Earth and (ii) radiation torque, known as the Yarkovsky–O’Keefe–Radzievskii–Paddack (YORP) effect. Despite our model simplicity, we found that the role of gravitational torques is negligible. Instead, we argue that the observed change of its spin state may be plausibly explained as a result of the YORP torque. To strengthen this interpretation, we verify that (i) the internal energy dissipation due to material inelasticity and (ii) an impact with a sufficiently large interplanetary particle are both highly unlikely causes of its observed spin state change. If true, this is the first case where the YORP effect has been detected for a tumbling body.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Lean-Stratified Combustion System with Miller Cycle for Downsized Boosted Application - Part 2

Automotive manufacturers relentlessly explore engine technology combinations to achieve reduced fuel consumption under continued regulatory, societal and economic pressures. For example, technologies enabling advanced combustion modes, increased expansion to effective compression ratio and reduced parasitics continue to be developed and integrated within conventional and hybrid propulsion strategies across the industry. Here, a high-efficiency gasoline engine capable for use in conventional or hybrid electric vehicle platforms is highly desirable. This paper is the second of two papers describing the multi-cylinder integration of a technology package combining lean-stratified combustion with Miller cycle for downsized boosted applications. The first paper describes the design, analysis and single-cylinder testing conducted to down-select the combustion system deployed to the multi-cylinder engine. This paper defines a light-duty engine package capable of achieving a 35% fuel economy improvement at US Tier 3 emission standards over a naturally aspirated stoichiometric baseline vehicle. A multi-mode combustion system was developed enabling highly efficient lean-stratified operation at light-load and stoichiometric Miller-cycle operation at mid- to high-loads. A central direct-injection four-valve layout was designed with high-tumble ports and a bowl-in-piston capable of stable operation under highly dilute mixtures when properly matched to fuel spray characteristics, injection strategy, and a high-energy ignition system. Boost system layout and base engine architecture were selected to minimize parasitics and maximize after treatment effectiveness. A multi-cylinder engine was developed and calibrated over a steady-state map. Results fed vehicle simulations over the EPA city and highway test cycles to predict the fuel economy improvement and tailpipe emissions potential. Fuel economy improvements over the baseline vehicle were projected at 42% and 39% for active-urea and passive-ammonia SCR after treatment systems respectively. Controls complexity to achieve regulatory compliance and the cost of the lean after treatment system were identified as the primary challenges to commercial viability.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Lean-Stratified Combustion System with Miller Cycle for Downsized Boosted Application - Part I

Automotive manufacturers relentlessly explore engine technology combinations to achieve reduced fuel consumption under continued regulatory, societal and economic pressures. For example, technologies enabling advanced combustion modes, increased expansion to effective compression ratio, and reduced parasitics continue to be developed and integrated within conventional and hybrid propulsion strategies across the industry. A high-efficiency gasoline engine capable for use in conventional or hybrid electric vehicle platforms is highly desirable. This paper is the first to two papers describing the development of a combustion system combining lean-stratified combustion with Miller cycle for downsized boosted applications. The work was completed under a multi-year US DOE project. The goal was to define a light-duty engine package capable of achieving a 35% fuel economy improvement at US Tier 3 emission standards over a naturally aspirated stoichiometric baseline vehicle. A multi-mode combustion system was developed enabling highly efficient lean-stratified operation at light-load and stoichiometric Miller-cycle operation at mid- to highloads. Some of the unique challenges in synergistically combining the two concepts are highlighted in this paper. Here, a central direct-injection four-valve layout was designed with high-tumble ports and a bowl-in-piston capable of stable operation under highly dilute (lean plus EGR) mixtures when properly matched to fuel spray characteristics, a multiple-injection strategy, and a high-energy ignition system. Other challenges specific to meeting exhaust emissions requirements with a high-efficiency engine are also explored in this study. In this Part 1 of the paper, the single-cylinder combustion system design, analysis, and testing is described. Multicylinder engine system design, analysis and development is described in Part 2 of the paper.

33 ADVANCED PROPULSION SYSTEMS↗