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At least 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Electrochemical Evolution of Fuel Cell Platinum Nanocatalysts on Carbon Nanotubes at the Atomic Scale

The evolution of Pt nanoparticles supported on carbon nanotubes is analyzed before and after electrochemical potential cycling, using identical location aberration-corrected transmission electron microscopy, for applications in proton exchange membrane fuel cells. The work is focused on the half-cell accelerated stress test protocol of potential cycles ranging between 1.0 and 1.5 V RHE to represent the start-up/shutdown settings of a fuel cell vehicle. The research work reveals that particle migration and coalescence are key mechanisms for a reduction in the Pt nanoparticle surface area at the early stages of potential cycling. Further, the mechanism for particle movement and coalescence is attributed to carbon corrosion, catalyzed either by Pt or by bulk corrosion of the carbon nanotubes. Carbon corrosion results in the appearance of carbon vacancies at the carbon nanotube/Pt nanoparticle interface during cycling, as well as the formation of edge and surface defects. During cycling, the concentration of the dissoluble Pt increases. As soon as a significant amount is reached, subnanometer/atomic clusters emerge on the carbon nanotube support, which can move and coalesce, or redeposit on the surface of larger particles through Ostwald ripening.

25 ENERGY STORAGE↗
DOE OSTI2025

Dynamic Metal–Support Interaction Dictates Cu Nanoparticle Sintering on Al 2 O 3 Surfaces

Nanoparticle sintering remains a critical challenge in heterogeneous catalysis. In this work, we present a unified deep potential (DP) model based on the Perdew–Burke–Ernzerhof approximation of density functional theory for Cu nanoparticles on three Al 2 O 3 surfaces (γ-Al 2 O 3 (100), γ-Al 2 O 3 (110), and α-Al 2 O 3 (0001)). Using DP-accelerated simulations, we reveal that the nanoparticle size-mobility relationship strongly depends on the supporting surface. The diffusion of nanoparticles on the two γ-Al 2 O 3 surfaces is almost independent of the size of the nanoparticle, while the diffusion on α-Al 2 O 3 (0001) decreases rapidly with increasing size. Interestingly, nanoparticles with fewer than 55 atoms diffuse several times faster on α-Al 2 O 3 (0001) than on γ-Al 2 O 3 (100) at 800 K while expected to be more sluggish based on their larger binding energy at 0 K. The diffusion on α-Al 2 O 3 (0001) is facilitated by dynamic metal–support interaction (MSI), where Al atoms move out of the surface plane to optimize contact with the nanoparticle and relax back to the plane as the nanoparticle moves away. In contrast, the MSI on γ-Al 2 O 3 (100) and on γ-Al 2 O 3 (110) is dominated by more stable and directional Cu–O bonds, consistent with the limited diffusion observed on these surfaces. Our extended MD simulations provide insight into the sintering processes, showing that the dispersity of the nanoparticles strongly influences the coalescence driven by nanoparticle diffusion. We observed that the coalescence of Cu 13 nanoparticles on α-Al 2 O 3 (0001) can occur in a short time (10 ns) at 800 K even with an initial internanoparticle distance increased to 3 nm, while the coalescence on the two γ-Al 2 O 3 surfaces are inhibited significantly by increasing the initial internanoparticle distance. These findings demonstrate that the dynamics of the supporting surface is crucial to understanding the sintering mechanism and offer guidance for designing sinter-resistant catalysts by engineering the support morphology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Inverse Mapping of the Collision Kernel and Wall Flux Scaling in a Tall Convection‐Cloud Chamber Using Local Sensors and Knowledge‐Informed Deep Learning

Droplet collision–coalescence is a crucial process in cloud physics, but accurately representing this process under different dynamical conditions remains challenging. A proposed future convective‐cloud chamber aims to investigate this key process, but the method for observing it remains unclear, even though it is theoretically established that collision‐coalescence will occur. This study serves as a proof‐of‐concept demonstration of how knowledge‐informed deep learning, combined with measurement data from local sensors in the chamber, can be used to estimate the collision kernels, which determine how the droplet size distribution evolves during collision‐coalescence. In addition to estimating the collision kernel, we also address wall fluxes, another uncertain but important process that acts as a source of heat and moisture in the chamber. Ensemble runs of large‐eddy simulations are conducted by scaling the wall fluxes and the collision kernel, while the measured flow and cloud properties are used as inputs for a neural network. Results indicate that this approach successfully maps the scaling of wall fluxes and the collision kernel with biases of approximately 1% or less relative to the range of the target data. This proof‐of‐concept lays the groundwork for future applications; when the real measurements are available, real sensor data combined with the trained model presented in this work will enable estimation of the actual wall fluxes and collision kernel.

cloud chamber↗
DOE OSTI2026

Exploring the partonic collectivity in small systems at energies available at the CERN Large Hadron Collider

Using the Hydro-Coal-Frag model that combines hydrodynamics at low p T , quark coalescence at intermediate p T , and the LBT transport model at high p T , we study the spectra and elliptic flow of identified hadrons in high multiplicity p–Pb and p–p collisions at the CERN Large Hadron Collider (LHC). In p–Pb collisions, the Hydro-Coal-Frag model gives a good description of the differential elliptic flow over the p T range from 0 to 6 GeV and the approximate number of constituent quark (NCQ) scaling at intermediate p T . Although the Hydro-Coal-Frag model can also roughly describe the elliptic flow in high multiplicity p–p collisions with the quark coalescence process, the larger contribution from the string fragmentations leads to a notable violation of the NCQ scaling of v 2 at intermediate p T as observed in the experiment. Comparison runs of the Hydro-Frag model without the coalescence process demonstrate that regardless the parameter adjustments, the Hydro-Frag model cannot simultaneously describe the p T spectra and the elliptic flow of identified hadrons in either p–Pb collisions or p–p collisions. In conclusion, the calculations in this paper thus provide support for the existence of partonic degrees of freedom and the possible formation of the QGP in the small systems created at the LHC.

Wang, Yuanyuan [Peking University, Beijing (China)↗
DOE OSTI2020

Probing the Partonic Degrees of Freedom in High-Multiplicity p–Pb collisions at √ s NN = 5.02 TeV

We investigate the role of partonic degrees of freedom in high-multiplicity p–Pb collisions at √ s NN = 5.02 TeV carried out at the Large Hadron Collider (LHC) by studying the production and collective flow of identified hadrons at intermediate p T via the coalescence of soft partons from the viscous hydrodynamics (VISH 2 + 1) and hard partons from the energy loss model, linear Boltzmann transport (LBT). We find that combining these intermediate p T hadrons with the low p T hadrons from the hydrodynamically expanding fluid and high p T hadrons from the fragmentation of quenched jets, the resulting hydro-dynamics-coalescence-fragmentation model provides a nice description of measured p T spectra and differential elliptic flow v 2 (p T ) of pions, kaons, and protons over the p T range from 0 to 6 GeV. We further demonstrate the necessity of including the quark coalescence contribution to reproduce the experimentally observed approximate number of constituent quark scaling of hadron v 2 at intermediate p T . Furthermore, our results thus indicate the importance of partonic degrees of freedom and also hint at the possible formation of quark-gluon plasma in high-multiplicity p–Pb collisions at the LHC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Growth of ultrathin Bi 2 Se 3 films by molecular beam epitaxy

Bi 2 Se 3 is a widely studied 3D topological insulator having potential applications in optics, electronics, and spintronics. When the thickness of these films decreases to less than approximately 6 nm, the top and bottom surface states couple, resulting in the opening of a small gap at the Dirac point. In the 2D limit, Bi 2 Se 3 may exhibit quantum spin Hall states. However, growing coalesced ultrathin Bi 2 Se 3 films with a controllable thickness and typical triangular domain morphology in the few nanometer range is challenging. Here, we explore the growth of Bi 2 Se 3 films having thicknesses down to 4 nm on sapphire substrates using molecular beam epitaxy that were then characterized with Hall measurements, atomic force microscopy, and Raman imaging. We find that substrate pretreatment—growing and decomposing a few layers of Bi 2 Se 3 before the actual deposition—is critical to obtaining a completely coalesced film. In addition, higher growth rates and lower substrate temperatures led to improvement in surface roughness, in contrast to what is observed for conventional epitaxy. Altogether, coalesced ultrathin Bi 2 Se 3 films with lower surface roughness enable thickness-dependent studies across the transition from a 3D-topological insulator to one with gapped surface states in the 2D regime.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Material Compatibility of Elastomers Used in the Salt Waste Processing Facility(SWPF)

Near the beginning of calendar year 2021, Salt Waste Processing Facility (SWPF) processed nearly a million gallons of initially diluted, and subsequently undiluted, supernatant. Higher than usual levels of Isopar L were detected in the Decontaminated Salt Solution (DSS). After shutting down the process and inspecting the DSS coalescers, personnel discovered the coalescers media appeared deformed and at least one had extruded out of the sealing surfaces. The gasket material was removed and sent to the Savannah River National Laboratory to possibly determine the cause of gasket degradation. A memorandum was issued documenting the results that could not rule out assembly error of the coalescer. For example, over torquing the gaskets beyond their recommended degree of compression, may have been a potential failure mode. SRNL recommended performing a quick compatibility test between the different process solutions used at SWPF and four different polymeric materials (the fifth one-Kalrez ® -arrived at the end of this test).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Properties and Astrophysical Implications of the 150 M ⊙ Binary Black Hole Merger GW190521

The gravitational-wave signal GW190521 is consistent with a binary black hole (BBH) merger source at redshift 0.8 with unusually high component masses, 85-14+21 M o˙ and 66-18+17 M ⊙ , compared to previously reported events, and shows mild evidence for spin-induced orbital precession. The primary falls in the mass gap predicted by (pulsational) pair-instability supernova theory, in the approximate range 65-120 M ⊙ . The probability that at least one of the black holes in GW190521 is in that range is 99.0%. The final mass of the merger (142-16+28 M ⊙ ) classifies it as an intermediate-mass black hole. Under the assumption of a quasi-circular BBH coalescence, we detail the physical properties of GW190521's source binary and its post-merger remnant, including component masses and spin vectors. Three different waveform models, as well as direct comparison to numerical solutions of general relativity, yield consistent estimates of these properties. Tests of strong-field general relativity targeting the merger-ringdown stages of the coalescence indicate consistency of the observed signal with theoretical predictions. We estimate the merger rate of similar systems to be 0.13-0.11+0.30 Gpc -3 yr -1 . We discuss the astrophysical implications of GW190521 for stellar collapse and for the possible formation of black holes in the pair-instability mass gap through various channels: via (multiple) stellar coalescences, or via hierarchical mergers of lower-mass black holes in star clusters or in active galactic nuclei. We find it to be unlikely that GW190521 is a strongly lensed signal of a lower-mass black hole binary merger. We also discuss more exotic possible sources for GW190521, including a highly eccentric black hole binary, or a primordial black hole binary.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1974

The behavior of immiscible liquids in space

A demonstration experiment (TV102) was performed on the Skylab 4 mission to illustrate the behavior of immiscible liquids of different densities in zero-gravity. The purpose of the experiment was to determine the rate of coalescence of two well-characterized liquids, Krytox 143 AZ oil and water, after the liquids were finely dispersed by shaking. An analysis of the video-taped data and 35mm color transparencies indicates that all investigated emulsions were stable with only a small amount of observed coalescence for at least 10 hours after mixing, whereas the fluids in the ground-control case separated completely in 10 seconds. This experiment indicates that the coalescence rate was at least .000003 times smaller on Skylab than on earth.

Lacy, L. L.↗
NASA NTRS1974

Multiple eigenvalues of sound-absorbing circular and annular ducts

Eigenvalue equations of the form D(lambda) = 0 are studied for acoustic modes in circular and annular ducts without flow. The ducts have locally reacting walls with arbitrary wall admittance. It is shown that circular ducts may have double eigenvalues, or wall admittances where both D(lambda) and D prime (lambda) are zero. These double eigenvalues are formed by the coalescence of the lowest-order eigenfunction with some higher-order eigenfunction. The eigenfunctions, or acoustic modes, associated with the double eigenvalues are found to be orthogonal to themselves so that the standard expansion formula for the acoustic field, which is obtained from a separation-of-variables analysis, is invalid. An alternate expansion formula for the acoustic field is derived. This alternate formula shows that the coalesced acoustic mode is linearly amplified by the transmission distance and exponentially attenuated at the expected rate. The expansion formula also reveals a new eigenfunction, or acoustic mode, which is exponentially attenuated at the same rate as the coalesced eigenfunction.

Zorumski, W. E.↗
NASA NTRS1975

Investigation of immiscible systems and potential applications

The droplet coalescence kinetics at 0 g and 1 g were considered for two systems which contained liquid droplets in a host liquid. One of these (Al-In) typified a system containing a liquid phase miscibility gap and the order (oil-water) a mixture of two essentially insoluble liquids. A number of coalescence mechanisms potentially prominent at low g in this system were analyzed and explanations are presented for the observed unusual stability of the emulsion. Ground base experiments were conducted on the coalescence of In droplets in and Al-In alloy during cooling through the miscibility gap at different cooling rates. These were in qualitative agreement with the computer simulation. Potential applications for systems with liquid phase miscibility gaps were explored. Possibilities included superconductors, electrical contact materials, superplastic materials, catalysts, magnetic materials, and others. The role of space processing in their production was also analyzed.

Markworth, A. J.↗
NASA NTRS1975

Analysis of Skylab IV fluid mechanic science demonstration

Several science demonstrations performed on Skylab III and IV were concerned with the behavior of fluid drops free floating in microgravity. These demonstrations, with large liquid drops, included the oscillation, rotation, impact and coalescence, and air injection into the drops. Rayleigh's analysis of the oscillation of spherical drops of a liquid predicts accurately the effect of size and surface tension on the frequency of vibrated water globules in the Skylab demonstration. However, damping occurred much faster than predicted by Lamb's or Scriven's analyses of the damping time for spherical drops. The impact demonstrations indicated that a minimum velocity is necessary to overcome surface forces and effect a coalescence, but a precise criterion for the coalescence of liquids in low g could not be determined.

Klett, M. G.↗
NASA NTRS1978

Lubrication and failure mechanisms of molybdenum disulfide films. 1: Effect of atmosphere

Friction, wear, and wear lives of rubbed molybdenum disulfide (MoS2 films applied to sanded 440C HT steel surfaces were evaluated in moist air, dry air, and dry argon. Optical microscope observations were made as a function of sliding distance to determine the effect of moisture and oxygen on the lubricating and failure mechanisms of MoS2 films. In general, the lubrication process consisted of the formation of a thin, metallic colored, coalesced film of MoS2 that flowed between the surfaces in relative motion. In air, failure was due to the transformation of the metallic colored, coalesced films to a black, powdery material. Water in the air appeared to accelerate the transformation rate. In argon, no transformation of MoS2 was observed with the microscope, but cracking and spalling of the coalesced film occurred and resulted in the gradual depletion of the film.

Fusaro, R. L.↗
NASA NTRS1978

Influence of wave dispersion on vortex pairing in a jet

The geometry of large-scale structures in the turbulent mixing layer of a moderate Reynolds number jet is deduced from measurements of the fluctuating pressure in the hydrodynamic near field. The structures are rings of concentrated vorticity that distort with downstream distance until statistical axisymmetry disappears. The rings are spaced quasi-periodically and coalesce with each other, producing larger spacings. Statistical and flow-visualization techniques are applied to free and forced jets over a range of Reynolds numbers from 5000 to 50,000 to demonstrate that rings of a given spacing do not coalesce with each other until they are far enough downstream that the local mixing layer has attained some critical thickness which scales with the wavelength of the vortex pair. Wave dispersion is evaluated as a plausible mechanism for localizing the coalescences. The central feature of the model is the observation that a shear layer is dispersive to wavelengths much longer than its thickness and nondispersive to shorter waves.

Petersen, R. A.↗
NASA NTRS1982

Drop rebound in clouds and precipitation

The possibility of rebound for colliding cloud drops was measured by determining the collection efficiency. The collection efficiency for 17 size pairs of relatively uncharged drops in over 500 experimental runs was measured using two techniques. The collection efficiencies fall in a narrow range of 0.60 to 0.70 even though the collection drop was varied between 63 and 326 microns and the size ratio from 0.05 to 0.33. In addition the measured values of collection efficiencies (Epsilon) were below the computed values of collision efficiencies (E) for rigid spheres. Therefore it was concluded that rebound was occurring for these sizes since inferred coalescence (epsilon = Epsilon/E) efficiencies are about 0.6 yo 0.8. At a very small size ratio (r/R = p = 0.05, R = 326 microns) the coalescence efficiency inferred is in good agreement with the experimental findings for a supported collector drop. At somewhat large size ratios the inferred values of epsilon are well above results of supported drop experiments, but show a slight correspondence in collected drop size dependency to two models of drop rebound. At a large size ratio (p = 0.73, R = 275) the inferred coalescence efficiency is significantly different from all previous results.

Ochs, H. T., III↗
NASA NTRS1983

In-situ TEM investigations of graphic-epitaxy and small particles

Palladium was deposited inside a controlled-vacuum specimen chamber of a transmission electron microscope (TEM) onto MgO and alpha-alumina substrate surfaces. Annealing and various effects of gas exposure of the particulate Pd deposits were studied in-situ by high resolution TEM and electron diffraction. Whereas substrate temperatures of 500 C or annealing of room temperature (RT) deposits to 500 C were needed to obtain epitaxy on sapphire, RT deposits on MgO were perfectly epitaxial. For Pd/MgO a lattice expansion of 2 to 4% was noted; the highest values of expansion were found for the smallest particles. The lattice expansion of small Pd particles on alumina substrates was less than 1%. Long-time RT exposure of Pd/MgO in a vacuum yielded some moblity and coalescence events, but notably fewer than for Pd on sapphire. Exposure to air or oxygen greatly enhanced the particle mobility and coalescence and also resulted in the flattening of Pd particles on MgO substrates. Electron-beam irradiation further enhanced this effect. Exposure to air for several tens of hours of Pd/MgO led to strong coalescence.

Heinemann, K.↗
NASA NTRS1987

Ultrafine particle and fiber production in micro-gravity

The technique of evaporation and condensation of material in an inert gas is investigated for the purpose of preparing ultrafine particles (of order 10 nm in diameter) with a narrow distribution of sizes. Gravity-driven convection increases the rate of coalescence of the particles, leading to larger sizes and a broader distribution. Analysis and experimental efforts to investigate coalescence of particles are presented. The possibility of reducing coalescence in microgravity is discussed. An experimental test in reduced gravity to be performed in a KC135 aircraft is described briefly.

Webb, George W.↗
NASA NTRS1993

On curve veering and flutter of rotating blades

The eigenvalues of rotating blades usually change with rotation speed according to the Stodola-Southwell criterion. Under certain circumstances, the loci of eigenvalues belonging to two distinct modes of vibration approach each other very closely, and it may appear as if the loci cross each other. However, our study indicates that the observable frequency loci of an undamped rotating blade do not cross, but must either repel each other (leading to 'curve veering'), or attract each other (leading to 'frequency coalescence'). Our results are reached by using standard arguments from algebraic geometry--the theory of algebraic curves and catastrophe theory. We conclude that it is important to resolve an apparent crossing of eigenvalue loci into either a frequency coalescence or a curve veering, because frequency coalescence is dangerous since it leads to flutter, whereas curve veering does not precipitate flutter and is, therefore, harmless with respect to elastic stability.

Afolabi, Dare↗