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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Spontaneous self-propulsion and nonequilibrium shape fluctuations of a droplet enclosing active particles

Active particles, such as swimming bacteria or self-propelled colloids, spontaneously assemble into large-scale dynamic structures. Geometric boundaries often enforce different spatio-temporal patterns compared to unconfined environment and thus provide a platform to control the behavior of active matter. Here, we report collective dynamics of active particles enclosed by soft, deformable boundary, that is responsive to the particles’ activity. We reveal that a quasi two-dimensional fluid droplet enclosing motile colloids powered by the Quincke effect (Quincke rollers) exhibits strong shape fluctuations with a power spectrum consistent with active fluctuations driven by particle-interface collisions. A broken detailed balance confirms the nonequilibrium nature of the shape dynamics. We further find that rollers self-organize into a single drop-spanning vortex, which can undergo a spontaneous symmetry breaking and vortex splitting. The droplet acquires motility while the vortex doublet exists. Our findings provide insights into the complex collective behavior of active colloidal suspensions in soft confinement.

42 ENGINEERING↗
DOE OSTI2022

Confinement and Collective Escape of Active Particles

Active matter broadly covers the dynamics of self-propelled particles. While the onset of collective behavior in homogenous active systems is relatively well understood, the effect of inhomogeneities such as obstacles and traps lacks overall clarity. Here, we study how interacting, self-propelled particles become trapped and released from a trap. We have found that captured particles aggregate into an orbiting condensate with a crystalline structure. As more particles are added, the trapped condensates escape as a whole. Our results shed light on the effects of confinement and quenched disorder in active matter.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Asphericity Can Cause Nonuniform Lithium Intercalation in Battery Active Particles

Uniform intercalation is desired to enable next-generation Li-ion batteries. While we expect nonuniformity in materials undergoing a phase change, single-phase intercalation materials such as nickel manganese cobalt oxide are believed to lithiate uniformly at the particle/electrolyte interface. However, recent imaging reveals nonuniform lithiation. Motivated by this discrepancy, we examine if aspherical particle shape can cause such nonuniformity since the conventional belief is based on spherical particle theory. We obtain real particle geometries using rapid lab-based X-ray computed tomography and subsequently perform physics-based calculations accounting for electrochemical reactions at the particle/electrolyte interface and lithium transport inside the particle bulk. The aspherical geometry breaks the symmetry and causes nonuniform reaction distribution. Such nonuniformity is exacerbated as the particle becomes more aspherical. We report the proposed mechanism represents a fundamental limit on achievable lithiation uniformity in aspherical particles in the absence of other mechanisms causing inhomogeneity, such as grain structure, nonuniform carbon-binder coating, etc.

25 ENERGY STORAGE↗
DOE OSTI2022

Shape-driven, emergent behavior in active particle mixtures

Abstract Active particle systems can vary greatly from one-component systems of spheres to mixtures of particle shapes at different composition ratios. We investigate computationally the combined effect of anisotropy and stoichiometry on the collective behavior of two-dimensional active colloidal mixtures of polygons. We uncover three emergent phenomena not yet reported in active Brownian particle systems. First, we find that mixtures containing hexagons exhibit micro-phase separation with large grains of hexagonal symmetry. We quantify a measurable, implicit ‘steric attraction’ between the active particles as a result of shape anisotropy and activity. This calculation provides further evidence that implicit interactions in active systems, even without explicit attraction, can lead to an effective preferential attraction between particles. Next, we report stable fluid clusters in mixtures containing one triangle or square component. We attribute the fluidization of the dense cluster to the interplay of cluster destabilizing particles, which introduce grain boundaries and slip planes into the system, causing solid-like clusters to break up into fluid clusters. Third, we show that fluid clusters can coexist with solid clusters within a sparse gas of particles in a steady state of three coexisting phases. Our results highlight the potential for a wide variety of behavior to be accessible to active matter systems and establish a route to control active colloidal systems through simple parameter designs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Microdynamics of active particles in defect-rich colloidal crystals

Hypothesis. Because they are self-propulsive, active colloidal particles can interact with their environment in ways that differ from passive, Brownian particles. Here, we explore how interactions in different microstructural regions may contribute to colloidal crystal annealing. Experiments. We investigate active particles propagating in a quasi-2D colloidal crystal monolayer produced by alternating current electric fields (active-to-passive particle ratio ~ 1:720). The active particle is a platinum Janus sphere propelled by asymmetric decomposition of hydrogen peroxide. Crystals are characterized for changes in void properties. The mean-squared-displacement of Janus particles are measured to determine how active microdynamics depend on the local microstructure, which is comprised of void regions, void-adjacent regions (defined as within three particle diameters of a void), and interstitial regions. Findings. At active particle energy E A = 2.55 k B T, the average void size increases as much as three times and the average void anisotropy increases about 40% relative to the passive case. Further, the average microdynamical enhancement, <δ(t)>, of Janus particles in the crystal relative to an equivalent passive Janus particle is reduced compared to that of a free, active particle (<δ(t) > is 1.88 ± 0.04 and 2.66 ± 0.08, respectively). The concentration of active particles is enriched in void and void-adjacent regions. Active particles exhibit the greatest change in dynamics relative to the passive control in void-adjacent regions (<δ(t)> = 2.58 ± 0.06). The results support the conjecture that active particle microdynamical enhancement in crystal lattices is affected by local defect structure.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Elucidating the Influence of Metal Surface Composition on Organic Adsorbate Binding Using Active Particle Dynamics

The adsorption strengths of organic compounds on metal surfaces are sensitive to the metal composition, and they play a central role in many catalytic reactions, helping to control the coverage of the reactant and altering the overall reaction rate. While adsorption energies are straightforward to measure and calculate in vacuum and gas-phase environments, adsorption energetics can be dramatically altered by the presence of solvent in liquid-phase reactions. However, the effects of metal composition on binding strengths in a liquid environment are less well understood, primarily due to the difficulty of accurate in situ measurements of organic binding on metal surfaces in the liquid phase. Here, we utilize the motion of active particles in water to probe the adsorption energies of an organic adsorbate (furfural) on a range of metal surfaces (pure Pd, pure Pt, and four PdAu alloy compositions) to elucidate the effect of metal composition. Janus particles with catalytic caps of particular metal compositions all exhibited active motion resulting from consumption of H 2 O 2 ; adsorbate binding was inferred through the decrease in the velocity of active motion and was modeled by a Langmuir adsorption isotherm. The measured adsorption affinities were used to extract the adsorption enthalpy of furfural on the different metals. The Pd surface was found to bind furfural more strongly than the Pt surface by some 10 kJ/mol. Furthermore, the adsorption of furfural on the alloys was found to increase monotonically in magnitude with Pd content. As a result, the data reported herein aid the development of accurate understanding of organic adsorption in the presence of solvent and the role of the metal surface in tuning adsorption strengths to optimize catalytic processes in the liquid phase.

36 MATERIALS SCIENCE↗
NASA NTRS1979

Energetic particle activity at 5-min and 10-s time resolution in the magnetotail and its relation to auroral activity

The paper examines several energetic particle bursts associated with substorm events in the magnetotail using data from the Imp 7 and 8 spacecraft experiments. Individual proton and electron bursts observed by the spacecraft do not always coincide nor does magnetotail activity correlate strongly with auroral activity on time scales less than 1 hr. The pitch angle distributions were determined with a time resolution of 10 s by combining magnetic field and particle measurements on Imp 8; during intense particle bursts the 0.3-MeV protons exhibit unidirectional or bidirectional anisotropies along the magnetic field. The data suggest the presence of small localized acceleration regions in the magnetotail observable when magnetically connected to the spacecraft; little evidence is found for a single neutral line extending across the width of the magnetotail.

Carbary, J. F.↗
DOE OSTI2022

Probing surface-adsorbate interactions through active particle dynamics

Adsorbate molecules present in a reaction mixture may bind to and block catalytic sites. Measurement of the surface coverage of these molecules via adsorption isotherms is critical for modeling and design of catalytic reactions on surfaces. However, it is challenging to measure isotherms in solution in a way that is directly relevant to catalytic activity under reaction conditions, particularly since adsorbates may bind with an enormous range of surface affinity parameters. Here we used the motion of self-propelled catalytic Janus particles, which employ the decomposition of hydrogen peroxide fuel as a propulsion mechanism, to determine the effective surface coverage of thioglycerol, furfural, and ethanol on a platinum surface as a function of concentration in aqueous solution by measuring the decrease in active motion due to the blocking of active sites. For strongly adsorbing thioglycerol, this effective coverage was compared and contrasted to the total adsorbed amount measured using inductively-coupled plasma analysis. Demonstrating the broad applicability of this approach, the surface affinity of the three adsorbates spanned more than four orders of magnitude. For each species, the adsorbate-mediated attenuation of active motion occurred over a wide concentration range and was well-described by a Langmuir isotherm. The strongly interacting thioglycerol had the highest affinity towards the surface (K a = 15.5 ± 4.3 mM –1 ) and fully deactivated the active particle motion at surface saturation. Furfural had an intermediate affinity (K a = 0.42 ± 0.07 mM –1 ) but did not fully block H 2 O 2 access to the surface at apparent saturation, consistent with a maximum fractional surface coverage of θ max = 0.67. Ethanol exhibited even lower affinity (K a = 0.0025 ± 2x10 -4 mM –1 ) and its coverage saturated at only θ max = 0.38. Analysis of isotherms at elevated temperatures enabled direct extraction of the enthalpies of adsorption. The degree of surface coverage at adsorbate saturation appeared to correlate with the relative energies of adsorption for the different adsorbate species and was consistent with adsorbate saturation of one of multiple active site populations towards H 2 O 2 decomposition. Furthermore, computational investigations into solvent effects on furfural adsorption showed good quantitative agreement with the experimental results. This work leverages unique properties of active particles to explore fundamental catalysis questions and demonstrates a novel paradigm for significant and experimentally accessible multidisciplinary research.

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

Electrodepositable battery electrode coating compositions having coated active particles

The present invention is directed towards an electrodepositable coating composition comprising an electrochemically active material comprising a protective coating; an electrodepositable binder; and an aqueous medium. Also disclosed herein is a method of coating a substrate, as well as coated substrates and electrical storage devices.

Oakes, Landon J.↗
NASA NTRS1991

Charged particle activation studies on the surface of LDEF spacecraft

High energy proton induced nuclear reaction products are examined using seven elements, namely: Al, Si, Ni, Co, Zr, Ta, and W. Activities were detected due to Na-22 from Al, Co-56 from Ni, Co-58 from Cu, and Y-88 from Zr targets. No induced activity was observed in Si, Ta, and W, most probably due to the long cooling times. Only Zr sample contained a weak Be-7 peak, although Ta and W were also located at the leading edge of the spacecraft. Gamma rays of individual isotopes were measured using high resolution Ge(Li) solid state detector coupled to 4096 multichannel analyzer. Activities were calculated for Co-56 (846 keV) and Co-57 (122 and 136 keV's) at the time of the entry of the spacecraft and found to be 0.014 + or - c/sec g, 0.018 + or - 0.002 c/sec g, and 0.0024 + or - 0.0007 c/sec g, respectively.

Olmez, Ilhan↗
NASA NTRS1992

Charged particle activation studies on the surface of LDEF spacecraft

High energy proton induced nuclear reaction products are examined using seven elements, namely: aluminum, silicon, nickel, copper, zirconium, tantalum, and tungsten. We detected activities due to Na-22 from Al, Co-56 and Co-57 from Ni, Co-58 from Cu, and Y-88 from Zr targets. No induced activity was observed in Si, Ta, and W, most probably due to the long cooling times. Only the Zr sample contained a weak Be-7 peak, although Ta and W were also located at the leading edge of the spacecraft. Gamma-rays of individual isotopes were measured using a high-resolution Ge(Li) solid state detector coupled to a 4096-multichannel analyzer. Activities were calculated for Co-56 (846 keV) and Co-57 (122 and 136 keV's) at the time of the entry of the spacecraft and found to be 0.014 +/- 0.005 c/s-g, 0.018 +/- 0.002 c/s-g, and 0.0024 +/- 0.0007 c/s-g, respectively.

Olmez, Ilhan↗
NASA NTRS1993

Charged particle activation studies on the surface of LDEF spacecraft

High energy proton induced nuclear reaction products are examined using seven elements, namely, Aluminum, Silicon, Nickel, Copper, Zirconium, Tantalum, and Tungsten. The samples were in the form of plates, 2 x 2 x 1/8 inches. Activities due to Na-22 from Al, Co-56 and Co-57 from Ni, Co-58 from Cu, and Y-88 from Zr targets were detected. No induced activity was observed in Si, Ta, and W, most probably due to the long cooling times. Only the Zr sample contained a weak Be-7 peak, although Ta and W were also located at the leading edge of the spacecraft. Gamma-rays of individual isotopes were measured using high-resolution Ge(Li) solid state detector coupled to 4096-multichannel analyzer. Activities were calculated for Co-56 (846 keV) and Co-57 (122 and 136 keV's) at the time of the entry of the spacecraft and found to be 0.014 plus or minus 0.005 c/sec. g, 0.018 plus or minus 0.002 c/sec. g, and 0.0024 plus or minus 0.0007 c/sec. g, respectively.

Olmez, Ilhan↗