Influence of External NaCl Salt on Membrane Rigidity of Neutral DOPC Vesicles
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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
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Results for “Diffuse Scattering”
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Morphological Characterization of DMPC/CHAPSO Bicellar Mixtures: A Combined SANS and NMR Study
Spontaneously forming structures of a system composed of dimyristoyl phosphatidylcholine (DMPC) and 3-[(3-cholamidopropyl)dimethylammonio]-2-hydroxy-1-propanesulfonate (CHAPSO) were studied by small-angle neutron scattering (SANS), 31 P NMR, and stimulated echo (STE) pulsed field gradient (PFG) 1 H NMR diffusion measurements. Charged lipid dimyristoyl phosphatidylglycerol (DMPG) was used to induce different surface charge densities. The structures adopted were investigated as a function of temperature and lipid concentration for samples with a constant molar ratio of long-chain to short-chain lipids (=3). In the absence of DMPG, zwitterionic bicellar mixtures exhibited a phase transition from discoidal bicelles, or ribbons, to multilamellar vesicles either upon dilution or with increased temperature. CHAPSO-containing mixtures showed a higher thermal stability in morphology than DHPC-containing mixtures at the corresponding lipid concentrations. In the presence of DMPG, discoidal bicelles (or ribbons) were also found at low temperature and lower lipid concentration mixtures. At high temperature, perforated lamellae were observed in high concentration mixtures ( ≥ 7.5 wt %) whereas uniform unilamellar vesicles and bicelles formed in low-concentration mixtures ( ≤ 2.5 wt %), respectively, when the mixtures were moderately and highly charged. Lastly, from the results, spontaneous structural diagrams of the zwitterionic and charged systems were constructed.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Single-defect phonons imaged by electron microscopy
Crystal defects affect the thermal and heat-transport properties of materials by scattering phonons and modifying phonon spectra. To appreciate how imperfections in solids influence thermal conductivity and diffusivity, it is thus essential to understand phonon–defect interactions. Sophisticated theories are available to explore such interactions, but experimental validation is limited because most phonon-detecting spectroscopic methods do not reach the high spatial resolution needed to resolve local vibrational spectra near individual defects. In this paper, we demonstrate that space- and angle-resolved vibrational spectroscopy in a transmission electron microscope makes it possible to map the vibrational spectra of individual crystal defects. We detect a red shift of several millielectronvolts in the energy of acoustic vibration modes near a single stacking fault in cubic silicon carbide, together with substantial changes in their intensity, and find that these changes are confined to within a few nanometres of the stacking fault. These observations illustrate that the capabilities of a state-of-the-art transmission electron microscope open the door to the direct mapping of phonon propagation around defects, which is expected to provide useful guidance for engineering the thermal properties of materials.
42 ENGINEERING↗
Characterizing the intracluster light over the redshift range 0.2 < z < 0.8 in the DES-ACT overlap
ABSTRACT We characterize the properties and evolution of bright central galaxies (BCGs) and the surrounding intracluster light (ICL) in galaxy clusters identified in the Dark Energy Survey and Atacama Cosmology Telescope Survey (DES-ACT) overlapping regions, covering the redshift range 0.20 < z < 0.80. Over this redshift range, we measure no change in the ICL’s stellar content (between 50 and 300 kpc) in clusters with log10(M200m,SZ/M⊙) >14.4. We also measure the stellar mass–halo mass (SMHM) relation for the BCG+ICL system and find that the slope, β, which characterizes the dependence of M200m,SZ on the BCG+ICL stellar mass, increases with radius. The outskirts are more strongly correlated with the halo than the core, which supports that the BCG+ICL system follows a two-phase growth, where recent growth (z < 2) occurs beyond the BCG’s core. Additionally, we compare our observed SMHM relation results to the IllustrisTNG300-1 cosmological hydrodynamic simulations and find moderate qualitative agreement in the amount of diffuse light. However, the SMHM relation’s slope is steeper in TNG300-1 and the intrinsic scatter is lower, likely from the absence of projection effects in TNG300-1. Additionally, we find that the ICL exhibits a colour gradient such that the outskirts are bluer than the core. Moreover, for the lower halo mass clusters (log10(M200m,SZ/M⊙) < 14.59), we detect a modest change in the colour gradient’s slope with lookback time, which combined with the absence of stellar mass growth may suggest that lower mass clusters have been involved in growth via tidal stripping more recently than their higher mass counterparts.
79 ASTRONOMY AND ASTROPHYSICS↗
Direct measurement of electron heating in electron-only reconnection in a laboratory mini-magnetosphere
We report on the experimental observation of electron heating in electron-only magnetic reconnection in laser-driven laboratory mini-magnetosphere on the Large Plasma Device (LAPD) at the University of California, Los Angeles. In this experiment, a fast-flowing plasma impacts a pulsed magnetic dipole embedded within LAPD’s magnetized ambient plasma, creating an ion-scale magnetosphere and driving electron-only magnetic reconnection between the background and dipole field lines. The electron velocity distribution is measured across the reconnection region using noncollective Thomson scattering, enabling determination of electron temperature and density. Significant electron heating is observed in the electron diffusion region, increasing from an initial temperature of 1.8 to 9.5 eV, corresponding to a 40% local conversion of Poynting flux into electron enthalpy flux. Particle-in-cell simulations that provide insights into the heating mechanisms are also presented.
Rovige, Lucas [Department of Physics and Astronomy↗
Phonon focusing and temperature dependences of thermal conductivity of silicon nanofilms
The effect of phonon focusing on the anisotropy and temperature dependences of the thermal conductivities of silicon nanofilms is analyzed using the three-mode Callaway model. The orientations of the film planes and the directions of the heat flux for maximal or minimal heat removal from silicon chip elements at low temperatures, as well as at room temperature, are determined. It is shown that in the case of diffuse reflection of phonons from the boundaries, the plane with the (100) orientation exhibits the lowest scattering ability (and the highest thermal conductivity), while the plane with the (111) orientation is characterized by the highest scattering ability (and the lowest thermal conductivity). The thermal conductivity of wide films is determined to a considerable extent by the orientation of the film plane, while for nanowires with a square cross section, the thermal conductivity is mainly determined by the direction of the heat flux. The effect of elastic energy anisotropy on the dependences of the thermal conductivity on the geometrical parameters of films is analyzed. The temperatures of transition from boundary scattering to bulk relaxation mechanisms are determined.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Water dynamics in pristine and porous Ti 3 C 2 T x MXene as probed by quasielastic neutron scattering
MXenes are a novel class of two-dimensional (2D) materials whose applications in energy-storage systems have attracted substantial attention. Still, the rate performance of these materials is often diminished by sheet restacking, which is attenuated via controlled etching in H 2 SO 4 solution. With this process, micropores are formed in MXene sheets that allow transport across 2D layers. As a result, the intercalation and diffusivity of ions are facilitated resulting in improved capacitance retention at high charge-discharge rates. In the present work, we used quasielastic neutron scattering to evaluate the potential changes in water dynamics as a consequence of this mechanism by assessing the behavior of weakly and strongly confined water populations in pristine and porous MXenes. First, we have found that the porous sample accommodates a noticeably higher content of both water populations. Additionally, the fraction of mobile molecules is higher either under strong or weak confinement. Interestingly, regardless of the abundance of weakly confined water in the porous sample, no considerable changes in the dynamical behavior were detected in comparison with the dynamics measured in the pristine material. Finally, for the strongly confined populations of water, our results show that water is able to permeate the micropores introduced by etching and perform unlocalized motions.
36 MATERIALS SCIENCE↗
Anisotropic dynamics of water ultra-confined in macroscopically oriented channels of single-crystal beryl: A multi-frequency analysis
The properties of fluids can be significantly altered by the geometry of their confining environments. While there has been significant work on the properties of such confined fluids, the properties of fluids under ultraconfinement, environments where, at least in one plane, the dimensions of the confining environment are similar to that of the confined molecule, have not been investigated. This paper investigates the dynamic properties of water in beryl (Be3Al2Si6O18), the structure of which contains approximately 5-A-diam channels parallel to the c axis. Three techniques, inelastic neutron scattering, quasielastic neutron scattering, and dielectric spectroscopy, have been used to quantify these properties over a dynamic range covering approximately 16 orders of magnitude. Because beryl can be obtained in large single crystals we were able to quantify directional variations, perpendicular and parallel to the channel directions, in the dynamics of the confined fluid. These are significantly anisotropic and, somewhat counterintuitively, show that vibrations parallel to the c-axis channels are significantly more hindered than those perpendicular to the channels. The effective potential for vibrations in the c direction is harder than the potential in directions perpendicular to it. There is evidence of single-file diffusion of water molecules along the channels at higher temperatures, but below 150 K this diffusion is strongly suppressed. No such suppression, however, has been observed in the channel-perpendicular direction. Inelastic neutron scattering spectra include an intramolecular stretching O-H peak at 465 meV. As this is nearly coincident with that known for free water molecules and approximately 30 meV higher than that in liquid water or ice, this suggests that there is no hydrogen bonding constraining vibrations between the channel water and the beryl structure. However, dielectric spectroscopic measurements at higher temperatures and lower frequencies yield an activation energy for the dipole reorientation of 16.4 0.14 kJ/mol, close to the energy required to break a hydrogen bond in bulk water. This may suggest the presence of some other form of bonding between the water molecules and the structure, but the resolution of the apparent contradiction between the inelastic neutron and dielectric spectroscopic results remains uncertain.
Mamontov, Eugene↗
Mixtures of octanol and an ionic liquid: Structure and transport
Ionic liquids (ILs) with long alkyl substituents are amphiphilic, which leads to a bicontinuous liquid structure. The strongly interacting anionic and cationic head groups form a long range charge network, with the hydrocarbon tails forming a nonpolar domain. Such nonpolar domains have been shown to dissolve a variety of neutral organic solvents. In mixtures of ILs with solvents the neutral organic molecules residing in the nonpolar domains experience different environments and friction from the charged cations and anions. Thus, the neutral molecules diffuse much faster than predicted by hydrodynamic scaling using the average viscosity of the mixture. Here, we report studies on the structure and transport properties of mixtures of 1-octanol with the IL trihexyltetradecylphosphonium bis(trifluoromethylsulfonyl)imide (P 6,6,6,14 + /NTf 2 – ). The majority of the atom fraction in the P 6,6,6,14 + cation comprises four hydrocarbon substituents. The unique amphiphilic nature of ILs with the P 6,6,6,14 + cation makes 1-octanol fully miscible with the IL at ambient temperatures. X-ray scattering experiments show that the IL structure persists in the mixtures for 1-octanol mole fractions as large as x oct = 0.90. The self-diffusion coefficients of the three molecular species in the mixtures were measured by NMR experiments. The self-diffusion of the P 6,6,6,14 + cation is well described by the Stokes–Einstein equation, while the diffusivity of the NTf 2 – anion is slightly lower than the hydrodynamic prediction. The measured diffusivities of octanol in these mixtures are 1.3–4 times higher than the hydrodynamic predictions.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Benchmark calculations of pure neutron matter with realistic nucleon-nucleon interactions
Here, we report benchmark calculations of the energy per particle of pure neutron matter as a function of the baryon density using three independent many-body methods: Brueckner–Bethe–Goldstone, Fermi hypernetted chain/single-operator chain, and auxiliary-field diffusion Monte Carlo. Significant technical improvements are implemented in the latter two methods. The calculations are made for two distinct families of realistic coordinate-space nucleon-nucleon potentials fit to scattering data, including the standard Argonne v 18 interaction and two of its simplified versions, and four of the new Norfolk Δ -full chiral effective field theory potentials. Primarily because of the advancements in the auxiliary-field diffusion Monte Carlo, we observe good agreement among the three many-body techniques up to nuclear saturation density—the maximum difference in the energy per particle is within 1.5 MeV for all the potentials we consider. At higher densities, the divergences become more important, and are mainly driven by the Fermi hypernetted chain/single-operator calculations. We also study the connection between nucleon-nucleon scattering data and the energy per particle of pure neutron matter. Our results suggest that fitting to higher-energy nucleon-nucleon scattering helps reduce the spread of energies among the models.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Understanding and controlling water-organic co-transport in amorphous microporous materials
The transport of molecules in microporous material is a significant and active area of research in separation applications. The movement of vapor/liquid molecules in a high-loading condition in microporous spaces is especially challenging to interrogate. This project aims to understand and control the transport of complex water and organic solvent mixtures in varying structures of microporous carbon molecular sieve (CMS) and activated carbon membranes. Modeling of transport behavior in such carbonaceous samples using computational modeling is difficult due to their amorphous structure. Therefore, this research intends to study the transport mechanism of water-organic mixtures by experimentally revealing fundamental transport properties, such as guest sorption amounts as well as diffusion and permeation rates. Considering the different size and guest-host affinity of water and organic solvent molecules, the objective of this research is to understand the structural conditions within the ultramicropores and micropores that generate different types of molecular transport and selection mechanisms within such complex systems. Carbonaceous materials are developed using tailored pyrolysis techniques to pyrolyze polymeric precursors, including polyvinylidene chloride (PVDC),polyvinylidene fluoride (PVDF), polymer of intrinsic microporosity (PIM) -1, and fully aromatic polyamide. The initial stage of the research will focus on the microscopic diffusion and sorption studies of pure component water, xylene isomers, and n,n- dimethylformamide within various carbons. Additional structural investigation on CMS, such as gas physisorption and neutron scattering studies, will be executed to gain deeper insight into these structure-transport relationships. Scanning electron microscopy and X-ray photoelectron microscopy are also used to further characterize these materials. The research will progress to probe mutual diffusion of complex water-organic mixtures within various CMS microstructures. Competitive sorption and permeation studies of the binary mixtures in different microstructural CMS will be followed. The obtained binary mixture transport parameters were used to predict binary water-organic mixtures transport.
36 MATERIALS SCIENCE↗
Influence of tungsten substitution and oxygen deficiency on the thermoelectric properties of CaMnO{sub 3−δ}
Polycrystalline tungsten-substituted CaMn{sub 1−x}W{sub x}O{sub 3−δ} (0.00 ≤ x ≤ 0.05) powders were synthesized from a polymeric precursor, pressed and sintered to high density. The impact of tungsten substitution on the crystal structure, thermal stability, phase transition, electronic and thermal transport properties is assessed. Tungsten acts as an electron donator and strongly affects high-temperature oxygen stoichiometry. Oxygen vacancies form in the high figure-of-merit (ZT)-region starting from about T = 1000 K and dominate the carrier concentration and electronic transport far more than the tungsten substitution. The analysis of the transport properties yields that in the investigated regime the band filling is sufficiently high to overcome barriers of polaron transport. Therefore, the Cutler-Mott approach describes the electrical transport more accurately than the Mott approach for small polaron transport. The lattice thermal conductivity near room temperature is strongly suppressed with increasing tungsten concentration due to mass-difference impurity scattering. A ZT of 0.25 was found for x = 0.04 at 1225 K.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Resolution of a Few Problems in the Application of Quasilinear Theory to Calculating Diffusion Coefficients in Heliophysics
A theory of quasilinear diffusion for obliquely propagating electromagnetic waves was developed in the 1960's and applied in the 1970's to model scattering of relativistic electrons by a prescribed distribution of waves. In the latter work, a transformation of variables, from wavevector space to the temporal frequency and tangent of the wave normal angle, was used so that simple Gaussian functions of frequency and tangent of the wave normal angle could be multiplied together to define the distribution of wave power, although arbitrary distributions of power in these two variables is also permitted. Finally, in 2005, previous work was consolidated and has been widely used in heliophysics studies that require computation of quasilinear diffusion coefficients. Here it is shown that this transformation is inppropriate when the precise wave vector distribution is known. The correct transformation is derived and used to produce diffusion coefficients that can differ by orders of magnitude from those computed using the inappropriate transformation. The differences are largest when the distribution of wave power extends to wave normal angles near the resonance cone. When the ratio of the plasma frequency to the gyrofrequency is large, only low energies (keV) are affected, but as the ratio decreases higher energies (MeV) also show differences. It is also shown that the derivation from the 1960's uses a notation that results in the diffusion coefficients depending on the distribution of wave power with respect to the wave azimuthal angle whereas there should be no such dependence.
79 ASTRONOMY AND ASTROPHYSICS↗
Edge States Drive Exciton Dissociation in Ruddlesden–Popper Lead Halide Perovskite Thin Films
Efficient photovoltaic cells based on thin films of solution-processed 2D Ruddlesden–Popper hybrid perovskites (RPPs) represent an exciting breakthrough due to their enhanced tunability and chemical stability relative to those fabricated from 3D phases. However, reports of efficient charge separation and current collection are in apparent contradiction with the well-known enhancement of the exciton binding energy in multilayered halide perovskites, which should lower the device’s internal quantum efficiency and voltage. This controversy has led to various proposals for the electronic and physical structure of RPP thin films, including phase inhomogeneity as the driving force for exciton dissociation and transport. We address this apparent paradox in high-quality hot-cast RPP films by correlating ultrafast transient absorption spectroscopy with X-ray scattering measurements. We show that a hot-casting fabrication method produces highly phase pure n = 3 (BA) 2 (MA) n-1 Pb n I 3n+1 RPP structures. The high-phase purity and large grain sizes allow us to observe vertical transport of excitons via a diffusive process and allow us to determine that charge separation is primarily driven by dissociation at surface localized subgap electronic states. Furthermore, we analyze the differential absorption kinetics in films of varying thickness to directly determine that the excitonic diffusion constant is ~0.18 cm 2 s –1 . We propose that a surface localized structural distortion, observed using surface selective grazing incidence X-ray scattering measurements, is responsible for the creation of the surface localized defect states. We find that the density and spatial distribution of these defect states is a function of preparation conditions.
77 NANOSCIENCE AND NANOTECHNOLOGY↗
Neutron Reflectometry Reveals Diffusion in Contrast-Matched Brush Particle Bilayers
A material system for performing layer-spread experiments on brush particle bilayers is presented and used to determine the diffusion constant of brush particles in the melt state. Selective deuteration of the core and shell of organo-silica nanoparticles grafted with poly(methyl methacrylate) was used to match the scattering length density of the core and the polymer canopy layer. This subdued the scattering of particle cores (i.e., formfactor scattering) and enabled the analysis of the interdiffusion kinetics using neutron reflectivity. For low molecular grafts, i.e., grafts with a molecular weight below the entanglement limit, the interdiffusion kinetics revealed both a sub- and Fickian diffusion regime. The former was attributed to the local dynamics that was constrained by the slow-moving cores of neighboring brush particles that acted as long-lived physical cross-links. No transition to Fickian diffusion was observed for entangled systems, even at prolonged annealing times. This suggested a higher level of kinetic restraint in entangled brush particle melts as compared to, for example, star polymers with a comparable chain length for which Fickian diffusion has been reported under similar conditions.
Diffusion, Polymer Grafted Nanoparticles, Neutron ↗
Penetration and scattering of lower hybrid waves by density fluctuations
Lower Hybrid [LH] ray propagation in toroidal plasma is controlled by a combination of the azimuthal spectrum launched from the antenna, the poloidal variation of the magnetic field, and the scattering of the waves by the density fluctuations. The width of the poloidal and radial RF wave spectrum increases rapidly as the rays penetrate into higher density and scatter from the turbulence. The electron temperature gradient [ETG] spectrum is particularly effective in scattering the LH waves due to its comparable wavelengths and parallel phase velocities. ETG turbulence is also driven by the radial gradient of the electron current density giving rise to an anomalous viscosity spreading the LH-driven plasma currents. The scattered LH spectrum is derived from a Fokker-Planck equation for the distribution of the ray trajectories with a diffusivity proportional to the fluctuations. The LH ray diffusivity is large giving transport in the poloidal and radial wavenumber spectrum in one - or a few passes - of the rays through the core plasma.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Temperature dependence of diffusion length, lifetime and minority electron mobility in GaInP
The mobility of electrons in double heterostructures of p-type Ga{sub 0.50}In{sub 0.50}P has been determined by measuring minority carrier diffusion length and lifetime. The minority electron mobility increases monotonically from 300 K to 5 K, limited primarily by optical phonon and alloy scattering. Comparison to majority electron mobility over the same temperature range in comparably doped samples shows a significant reduction in ionized impurity scattering at lower temperatures, due to differences in interaction of repulsive versus attractive carriers with ionized dopant sites. These results should be useful in modeling and optimization for multi-junction solar cells and other optoelectronic devices.
36 MATERIALS SCIENCE↗
DYNAMICS OF HIGH ENERGY IONS AT A STRUCTURED COLLISIONLESS SHOCK FRONT
Ions undergoing first-order Fermi acceleration at a shock are scattered in the upstream and downstream regions by magnetic inhomogeneities. For high energy ions this scattering is efficient at spatial scales substantially larger than the gyroradius of the ions. The transition from one diffusive region to the other occurs via crossing the shock, and the ion dynamics during this crossing is mainly affected by the global magnetic field change between the upstream and downstream region. We study the effects of the fine structure of the shock front, such as the foot-ramp-overshoot profile and the phase-standing upstream and downstream magnetic oscillations. We also consider time dependent features, including reformation and large amplitude coherent waves. We show that the influence of the spatial and temporal structure of the shock front on the dependence of the transition and reflection on the pitch angle of the ions is already weak at ion speeds five times the speed of the upstream flow.
79 ASTRONOMY AND ASTROPHYSICS↗