SEARCH · Search NASA

Results for “cluster dynamics”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 505 records · Page 28

All sources NASA NTRS DOE OSTI

DOE OSTI2026

Associative polymers with controlled sticker placement: How reversible bond distribution and density govern polymer dynamics

Associative polymers with precisely arranged stickers offer opportunities to program material properties with molecular precision. Yet, it remains unclear how the placement and fraction of stickers dictate structure, dynamics, and macroscopic properties. By developing a model unentangled polymer system with hydrogen-bonding stickers, we show that randomly distributed stickers neither form clusters nor change flow properties, whereas stickers placed at chain ends drive nanocluster formation even at low concentrations. Adding more end stickers produces a rubbery plateau spanning eight decades in frequency with two distinct relaxation timescales, in contrast to the single plateau predicted by the classic sticky Rouse model. These results demonstrate that sticker distribution dictates whether associative polymers undergo nanocluster formation or microphase separation, while substantial alterations in dynamics and viscoelasticity require both sticker aggregation and thermomechanical stability of associated domains. Our findings resolve a longstanding debate on associative polymer dynamics and provide molecular design rules for programmable soft materials.

36 MATERIALS SCIENCE↗

DOE OSTI2024

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↗

DOE OSTI2025

Oxygen Defect Configurations in Single-Phase UO 2.15

Hyperstoichiometric UO 2.15 was characterized by neutron total scattering at high temperature in the single-phase UO 2+x region of the U/O phase diagram. The diffraction data confirmed a single-phase fluorite structure at high temperature. Analysis of the short-range data showed that the same structural model does not fit the pair distribution functions well. Instead, structural models containing specific configurations of oxygen defect clusters best represent the local atomic arrangement. In conclusion, prevalent defect clusters previously proposed were fit to the experimental data, and moderately distorted oxygen cuboctahedra hypothesized by recent molecular dynamics simulations fit the data most accurately.

neutron pair-distribution function analysis↗

DOE OSTI2026

Revealing EDL-driven reduction mechanisms in binary, ternary, and quaternary fluorinated electrolytes via an integrated MD–DFT–ML framework

Accurately predicting solid electrolyte interphase (SEI) formation requires explicitly resolving the electric double layer (EDL) structure, which deviates significantly from that of the bulk electrolyte. Although an established molecular dynamics (MD) and Density Functional Theory (DFT) framework can model SEI formation by evaluating reduction reactions of local clusters in the EDL, it suffers from a combinatorial computational bottleneck. To overcome this limitation, we introduce a machine-learning-accelerated simulation workflow (MD–DFT–ML), integrating a gradient-boosted regression model trained on EDL composition data to efficiently predict reduction potentials. We apply this framework to seven fluorinated electrolytes comprising fluorinated anions, a fluorinated ester solvent, two types of diluent (ion-solvating ester vs. non-solvating ether), and an FEC additive. The analysis shows that the EDL selectively accumulates cation-binding species; consequently, the non–cation-binding ether diluent rarely enters the EDL and makes minimal contributions to SEI formation. DFT calculations on statistically representative EDL clusters provide reduction potentials and fluorine-release pathways, while the ML model, which substantially reduces the DFT workload, predicts cluster reduction energies with a mean absolute error of 0.1 eV. The combined MD–DFT–ML approach also quantifies contributions from different sources to LiF formation in the SEI. This methodology establishes a generalizable route for multiscale modeling electrolyte and interphase design for next-generation electrochemical energy-storage systems.

DFT-MD-ML workflow↗

NASA NTRS1977

HP-9825A calculator programs for plotting orbiter RCS jet dynamic pressure contours

Computer programs which generate displays of the dynamic pressure fields generated by orbiter RCS thruster firings are described. The programs can be used to generate dynamic contours for an isolated RCS jet and to superimpose the plume contours for specific jets or jet clusters on front and side views of the orbiter profile.

Wilson, S. W.↗

NASA NTRS1992

A 23.2:1 ratio, 300-watt, 26 N-m output torque, planetary roller-gear robotic transmission: Design and evaluation

The design philosophy and measurements performed on a new roller-gear transmission prototype for a robotic manipulator are described. The design incorporates smooth rollers in a planetary configuration integrated with conventional toothed gears. The rollers were designed to handle low torque with low backlash and friction while the complementary gears support higher torques and prevent accumulated creep or slip of the rollers. The introduction of gears with finite numbers of teeth to function in parallel with the rollers imposes severe limits on available designs. Solutions for two-planet row designs are discussed. A two-planet row, four-planet design was conceived, fabricated, and tested. Detailed calculations of cluster geometry, gear stresses, and gear geometry are given. Measurement data reported here include transmission linearity, static and dynamic friction, inertia, backlash, stiffness, and forward and reverse efficiency. Initial test results are reported describing performance of the transmission in a servomechanism with torque feedback.

Newman, Wyatt S.↗

NASA NTRS1992

Active galactic nuclei. IV - Supplying black hole clusters by tidal disruption and by tidal capture of stars

The extent to which individual holes in a cluster of black holes with a mass spectrum can liberate and accrete the resulting material by tidally disrupting stars they encounter, or by capturing stars as binary companions is studied. It is found that the smaller black holes in 'the halo' of such clusters can adequately supply themselves to the level M-dot sub h or greater than 0.0001(M-dot sub h) sub crit, and up to 0.05(M-dot sub h)sub crit for the smallest holes, by tidal disruption, as long as the cluster is embedded in a distribution of stars of relatively high density (not less than 0.1M sub cl/cu pc), and as long as the entire cluster of stars is not too compact (not less than 0.5 pc). Consideration is given to modifications this 'internal' mode of supply introduces in the spectrum emitted by such black hole clusters, and to the current status of their viability as models for AGN and QSOs in light of dynamical studies by Quinlan and Shapiro (1987, 1989).

Stoeger, W. R.↗

NASA NTRS1998

Critical Slowing Down in Time-to-Extinction: An Example of Critical Phenomena in Ecology

We study a model for two competing species that explicitly accounts for effects due to discreteness, stochasticity and spatial extension of populations. The two species are equally preferred by the environment and do better when surrounded by others of the same species. We observe that the final outcome depends on the initial densities (uniformly distributed in space) of the two species. The observed phase transition is a continuous one and key macroscopic quantities like the correlation length of clusters and the time-to-extinction diverge at a critical point. Away from the critical point, the dynamics can be described by a mean-field approximation. Close to the critical point, however, there is a crossover to power-law behavior because of the gross mismatch between the largest and smallest scales in the system. We have developed a theory based on surface effects, which is in good agreement with the observed behavior. The course-grained reaction-diffusion system obtained from the mean-field dynamics agrees well with the particle system.

Gandhi, Amar↗

NASA NTRS2008

NASA Tech Briefs, June 2008

Topics covered include: Charge-Control Unit for Testing Lithium-Ion Cells; Measuring Positions of Objects Using Two or More Cameras; Lidar System for Airborne Measurement of Clouds and Aerosols; Radiation-Insensitive Inverse Majority Gates; Reduced-Order Kalman Filtering for Processing Relative Measurements; Spaceborne Processor Array; Instrumentation System Diagnoses a Thermocouple; Chromatic Modulator for a High-Resolution CCD or APS; Commercial Product Activation Using RFID; Cup Cylindrical Waveguide Antenna; Aerobraking Maneuver (ABM) Report Generator; ABM Drag_Pass Report Generator; Transformation of OODT CAS to Perform Larger Tasks; Visualization Component of Vehicle Health Decision Support System; Mars Reconnaissance Orbiter Uplink Analysis Tool; Problem Reporting System; G-Guidance Interface Design for Small Body Mission Simulation; DSN Scheduling Engine; Replacement Sequence of Events Generator; Force-Control Algorithm for Surface Sampling; Tool for Merging Proposals Into DSN Schedules; Micromachined Slits for Imaging Spectrometers; Fabricating Nanodots Using Lift-Off of a Nanopore Template; Making Complex Electrically Conductive Patterns on Cloth; Special Polymer/Carbon Composite Films for Detecting SO2; Nickel-Based Superalloy Resists Embrittlement by Hydrogen; Chemical Passivation of Li+-Conducting Solid Electrolytes; Organic/Inorganic Polymeric Composites for Heat-Transfer Reduction; Composite Cathodes for Dual-Rate Li-Ion Batteries; Improved Descent-Rate Limiting Mechanism; Alignment-Insensitive Lower-Cost Telescope Architecture; Micro-Resistojet for Small Satellites; Using Piezoelectric Devices to Transmit Power through Walls; Miniature Latching Valve; Apparatus for Sampling Surface Contamination; Novel Species of Non-Spore-Forming Bacteria; Chamber for Aerosol Deposition of Bioparticles; Hyperspectral Sun Photometer for Atmospheric Characterization and Vicarious Calibrations; Dynamic Stability and Gravitational Balancing of Multiple Extended Bodies; Simulation of Stochastic Processes by Coupled ODE-PDE; Cluster Inter-Spacecraft Communications; Genetic Algorithm Optimizes Q-LAW Control Parameters; Low-Impact Mating System for Docking Spacecraft; Non-Destructive Evaluation of Materials via Ultraviolet Spectroscopy; Gold-on-Polymer-Based Sensing Films for Detection of Organic and Inorganic Analytes in the Air; and Quantum-Inspired Maximizer.

Source record↗

NASA NTRS2001

Iron Catalyst Chemistry in High Pressure Carbon Monoxide Nanotube Reactor

The high-pressure carbon monoxide (HiPco) technique for producing single wall carbon nanotubes (SWNT) is analyzed using a chemical reaction model coupled with properties calculated along streamlines. Streamline properties for mixing jets are calculated by the FLUENT code using the k-e turbulent model for pure carbon monixide. The HiPco process introduces cold iron pentacarbonyl diluted in CO, or alternatively nitrogen, at high pressure, ca. 30 atmospheres into a conical mixing zone. Hot CO is also introduced via three jets at angles with respect to the axis of the reactor. Hot CO decomposes the Fe(CO)5 to release atomic Fe. Cluster reaction rates are from Krestinin, et aI., based on shock tube measurements. Another model is from classical cluster theory given by Girshick's team. The calculations are performed on streamlines that assume that a cold mixture of Fe(CO)5 in CO is introduced along the reactor axis. Then iron forms clusters that catalyze the formation of SWNTs from the Boudouard reaction on Fe-containing clusters by reaction with CO. To simulate the chemical process along streamlines that were calculated by the fluid dynamics code FLUENT, a time history of temperature and dilution are determined along streamlines. Alternative catalyst injection schemes are also evaluated.

Scott, Carl D.↗

NASA NTRS2016

Dios: The Dark Baryon Exploring Mission

DIOS (Diffuse Intergalactic Oxygen Surveyor) is a small satellite aiming for a launch around 2022 with JAXA's Epsilon rocket. Its main aim is a search for warm-hot intergalactic medium with high-resolution X-ray spectroscopy of redshifted emission lines from OVII and OVIII ions. The superior energy resolution of TES microcalorimeters combined with a wide field of view (30 diameter) will enable us to look into gas dynamics of cosmic plasmas in a wide range of spatial scales from Earths magnetosphere to unvirialized regions of clusters of galaxies. Mechanical and thermal design of the spacecraft and development of the TES calorimeter system are described. Employing an enlarged X-ray telescope with a focal length of 1.2 m and fast repointing capability, DIOS can observe absorption features from X-ray afterglows of distant gamma-ray bursts.

X-ray telescope↗

NASA NTRS2018

Gravitational Potential and Non-relativistic Lagrangian in Modified Gravity with Varying G

We have recently shown that the baryonic Tully-Fisher (BTF) and Faber-Jackson (BFJ) relations imply that the gravitational "constant" G in the force law vary with acceleration alpha as 1/alpha . Here we derive the converse from first principles. First we obtain the gravitational potential for all accelerations and we formulate the Lagrangian for the central-force problem. Then action minimization implies the BTF/BFJ relations in the deep MOND limit as well as weak-field Weyl gravity in the Newtonian limit. The results show how we can properly formulate a nonrelativistic conformal theory of modified dynamics that reduces to MOND in its low-acceleration limit and to Weyl gravity in the opposite limit. An unavoidable conclusion is that alpha-0 , the transitional acceleration in modified dynamics, does not have a cosmological origin and it may not even be constant among galaxies and galaxy clusters.

Christodoulou, Dimitris M.↗

NASA NTRS1993

Nonlinear vortex trail dynamics. II - Analytic solutions

Spatially periodic large amplitude solutions of the von Karman model are obtained in the neighborhood of singularities. These singularities correspond to vortex clusters in the physical plane. The quasi-periodic and unbounded solutions found analytically confirm earlier numerical work and show qualitative agreement with experimental observations of large-scale phenomena of vortex trails. Separatrices or heteroclinic orbits were explicitly found for an integrable approximate equation, which indicate that the von Karman model itself supports chaotic solutions.

Lim, Chjan C.↗

DOE OSTI2025

Experimental and theoretical investigation into the high pressure deflagration products of 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105)

Diamond anvil cell (DAC) laser ignition experiments and reactive ab initio molecular dynamics (AIMD) simulations were performed on the high explosive (HE) LLM-105 to investigate its high pressure (HP) deflagration chemistry. Raman and optical spectroscopy measurements reveal LLM-105 reacts into an opaque carbonaceous product at 4–25 GPa. At pressures >~ 27 GPa, the reaction product consists of an amorphous optically transparent solid and nitrogen (N 2 ) in the solid phase. While not a one-to-one comparison due to the small time and length scales, the HP AIMD simulations show that some of the product is molecular N 2 , in qualitative agreement with experiment, while above 20 GPa most of the product consists of large amorphous C x H y N z O k clusters. Clustering is enhanced with pressure and reduces with temperature. In the experiments with initial sample pressure >~ 25 GPa, the pressure within the DAC decreases with minimal change in DAC cavity area. At initial sample pressures of 43.9 GPa, when quenched to 0 K, simulations predict a product experiencing a lower pressure consistent with the experimental measurement at lower load pressures. In conclusion, the results are important for understanding the HP deflagration chemistry of LLM-105.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Automated pipeline processing X-ray diffraction data from dynamic compression experiments on the Extreme Conditions Beamline of PETRA III

Presented and discussed here is the implementation of a software solution that provides prompt X-ray diffraction data analysis during fast dynamic compression experiments conducted within the dynamic diamond anvil cell technique. It includes efficient data collection, streaming of data and metadata to a high-performance cluster (HPC), fast azimuthal data integration on the cluster, and tools for controlling the data processing steps and visualizing the data using the DIOPTAS software package. This data processing pipeline is invaluable for a great number of studies. The potential of the pipeline is illustrated with two examples of data collected on ammonia–water mixtures and multiphase mineral assemblies under high pressure. The pipeline is designed to be generic in nature and could be readily adapted to provide rapid feedback for many other X-ray diffraction techniques, e.g. large-volume press studies, in situ stress/strain studies, phase transformation studies, chemical reactions studied with high-resolution diffraction etc.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1995

Disruption of the Globular Cluster Pal 5

Orbit calculations suggest that the sparse globular cluster, Pal 5, will pass within 7 kpc of the Galactic center the next time it crosses the plane, where it might be destroyed by tidal stresses. We study this problem, treating Pal 5 as a self-consistent dynamical system orbiting through an external potential that represents the Galaxy. The first part of the problem is to find suitable analytic approximations to the Galactic potential. They must be valid in all regions the cluster is likely to explore. Observed velocity and positional data for Pal 5 are used as initial conditions to determine the orbit. Methods we used for a different problem some 12 years ago have been adapted to this problem. Three experiments have been run, with M/L= 1, 3, and 10, for the cluster model. The cluster blew up shortly after passing through the Galactic plane (about 130 Myrs after the beginning of the run) with M/L=1. At M/L = 3 and 10 the cluster survived, although it got quite a kick in the fundamental mode on passing through the plane. But the fundamental mode oscillation died out in a couple of oscillation cycles at M/L=10. Pal 5 will probably be destroyed on its next crossing of the Galactic plane if M/L=1, but it can survive (albeit with fairly heavy damage) if NI/L=3. We haven't tried to trap the mass limits more closely than that. Pal 5 comes through pretty well unscathed at M/L=10. An interesting follow-up experiment would be to back the cluster up along its orbit to look at its previous passage through the Galactic plane, to see what kind of object it might have been at earlier times.

Miller, R. H.↗

DOE OSTI2024

Effects of carbon concentration on the local atomic structure of amorphous GST

Ge-Sb-Te (GST) alloys are leading phase-change materials for data storage due to the fast phase transition between amorphous and crystalline states. Ongoing research aims at improving the stability of the amorphous phase to improve retention. This can be accomplished by the introduction of carbon as a dopant to Ge 2 Sb 2 Te 5 , which is known to alter the short- and mid-range structure of the amorphous phase and form covalently bonded C clusters, both of which hinder crystallization. The relative importance of these processes as a function of C concentration is not known. Here we used molecular dynamics simulation based on density functional theory to study how carbon doping affects the atomic structure of GST-C. Carbon doping results in an increase in tetrahedral coordination, especially of Ge atoms, and this is known to stabilize the amorphous phase. We observe an unexpected, non-monotonous trend in the number of tetrahedral bonded Ge with the amount of carbon doping. Our simulations show an increase in the number of tetrahedral bonded Ge up to 5 at.% C, after which the number saturates and begins to decrease above 14 at.% C. The carbon atoms aggregate into clusters, mostly in the form of chains and graphene flakes, leaving less carbon to disrupt the GST matrix at higher carbon concentrations. Different degrees of carbon clustering can explain divergent experimental results for recrystallization temperature for carbon doped GST.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Hubble Space Telescope Observations within the Sphere of Influence of the Powerful Supermassive Black Hole in PKS 0745-191

We present Space Telescope Imaging Spectrograph observations from the Hubble Space Telescope of the supermassive black hole (SMBH) at the center of PKS 0745-191, a brightest cluster galaxy (BCG) undergoing powerful radio-mode active galactic nucleus (AGN) feedback (P cav ~ 5 × 10 45 erg s -1 ). These high-resolution data offer the first spatially resolved map of gas dynamics within an SMBH's sphere of influence under such powerful feedback. Our results reveal the presence of highly chaotic, nondrotational ionized gas flows on subkiloparsec scales, in contrast to the more coherent flows observed on larger scales. While radio-mode feedback effectively thermalizes hot gas in galaxy clusters on kiloparsec scales, within the core, the hot gas flow may decouple, leading to a reduction in angular momentum and supplying ionized gas through cooling, which could enhance accretion onto the SMBH. This process could, in turn, lead to a self-regulating feedback loop. Compared to other BCGs with weaker radio-mode feedback, where rotation is more stable, intense feedback may lead to more chaotic flows, indicating a stronger coupling between jet activity and gas dynamics. Additionally, we observe a sharp increase in velocity dispersion near the nucleus, consistent with a very massive M BH ~ 1.5 × 10 10 M ⊙ SMBH. The density profile of the ionized gas is also notably flat, paralleling the profiles observed in X-ray gas around galaxies where the Bondi radius is resolved. These results provide valuable insights into the complex mechanisms driving galaxy evolution, highlighting the intricate relationship between SMBH fueling and AGN feedback within the host galaxy.

79 ASTRONOMY AND ASTROPHYSICS↗