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Some of the authors of the present research group have previously reported mass spectrometric detection of [PdAu9(PPh3)8(CN)]2+ (PdAu9CN) by atmospheric pressure plasma (APP) irradiation of [MAu8(PPh3)8]2+ (PdAu8) in methanol and proposed based on density functional theory (DFT) calculations that PdAu9CN is constructed by inserting a CNAu or NCAu unit into the Au–PPh3 bond of PdAu8 [Emori et al., J. Chem. Phys. 155, 124312 (2021)]. In this follow-up study, we revisited the structure of PdAu9CN by high-resolution ion mobility spectrometry on an isolated sample of PdAu9CN with the help of dispersion-corrected DFT calculation. In contradiction to the previous proposal, we conclude that isomers in which an AuCN unit is directly bonded to the central Pd atom of PdAu8 are better candidates. This assignment was supported by Fourier transform infrared and ultraviolet–visible spectroscopies of isolated PdAu9CN. The simultaneous formation of [Au(PPh3)2]+ and PdAu9CN suggests that the AuCN species are formed by APP irradiation at the expense of a portion of PdAu8. These results indicate that APP may offer a unique method for transforming metal clusters into novel ones by generating in situ active species that were not originally added to the solution. [ABSTRACT FROM AUTHOR]

The ability to visualize x-ray and neutron emission from fusion plasmas in 3D is critical to understand the origin of the complex shapes of the plasmas in experiments. Unfortunately, this remains challenging in experiments that study a fusion concept known as Magnetized Liner Inertial Fusion (MagLIF) due to a small number of available diagnostic views. Here, we present a basis function-expansion approach to reconstruct MagLIF stagnation plasmas from a sparse set of x-ray emission images. A set of natural basis functions is "learned" from training volumes containing quasi-helical structures whose projections are qualitatively similar to those observed in experimental images. Tests on several known volumes demonstrate that the learned basis outperforms both a cylindrical harmonic basis and a simple voxel basis with additional regularization, according to several metrics. Two-view reconstructions with the learned basis can estimate emission volumes to within 11% and those with three views recover morphology to a high degree of accuracy. The technique is applied to experimental data, producing the first 3D reconstruction of a MagLIF stagnation column from multiple views, providing additional indications of liner instabilities imprinting onto the emitting plasma. [ABSTRACT FROM AUTHOR]

In magnetized liner inertial fusion (MagLIF), a cylindrical liner filled with fusion fuel is imploded with the goal of producing a one-dimensional plasma column at thermonuclear conditions. However, structures attributed to three-dimensional effects are observed in self-emission x-ray images. Despite this, the impact of many experimental inputs on the column morphology has not been characterized. We demonstrate the use of a linear regression analysis to explore correlations between morphology and a wide variety of experimental inputs across 57 MagLIF experiments. Results indicate the possibility of several unexplored effects. For example, we demonstrate that increasing the initial magnetic field correlates with improved stability. Although intuitively expected, this has never been quantitatively assessed in integrated MagLIF experiments. We also demonstrate that azimuthal drive asymmetries resulting from the geometry of the "current return can" appear to measurably impact the morphology. In conjunction with several counterintuitive null results, we expect the observed correlations will encourage further experimental, theoretical, and simulation-based studies. Finally, we note that the method used in this work is general and may be applied to explore not only correlations between input conditions and morphology but also with other experimentally measured quantities. [ABSTRACT FROM AUTHOR]

In this Letter, we investigate coherent phonon dynamics in the incommensurate LaVS3 crystal by femtosecond pump-probe spectroscopy. Two coherent phonon modes are systematically observed in the transient reflectivity, centered at 1.8 and 2.85 THz, respectively, while a third mode centered at 4.5 THz is observed only at high pump fluence. The experimental results obtained at two different polarization configurations as well as a comparison with recent theoretical results allow to assign the two main modes to the interlayer shearing mode and to an intralayer mode, respectively. Two possible assignments are discussed for the third mode, by invoking a possible emergence of nonlinear phonon processes. [ABSTRACT FROM AUTHOR]

We report on a series of Magnetized Liner Inertial Fusion (MagLIF) experiments conducted on the Z pulsed power facility that utilized high aspect ratio (ratio of outer radius to wall thickness) liners with dielectric coatings and low-mix laser preheat configurations. The liners consisted of an aspect ratio of 10.6 beryllium tube coated with 75 μm of epoxy on the outside that have been shown to maintain a better implosion stability than uncoated beryllium and have demonstrated consistent stagnation performances in previous experiments [Ampleford et al., Phys. Plasmas 31, 022703 (2024)]. Two-dimensional HYDRA simulations were used to design three different "co-injection" laser configurations, whereby a second laser is used to provide an early prepulse before the main pulse, to reduce LEH foil mix while increasing the fuel density and coupled energy. The laser preheat energy for each configuration was constrained using dedicated laser experiments before being applied to the integrated MagLIF experiments on Z. The DD neutron yield for experiments using co-injection preheat configurations is found to increase with the specific preheat energy in line with simulations. The highest neutron yield achieved in this study of 1.1 × 1013 matches the highest reported in a MagLIF experiment to date and is a factor 3.5 times higher than similar experiments using preheat with no phase plate smoothing. We attempt to assess the effects of mix and morphology to explain the improved performance; however, neither factor is found to be conclusive within the uncertainty of the measurements. [ABSTRACT FROM AUTHOR]

The hypothesis that the anomalous behavior of liquid water is related to the existence of a second critical point in deeply supercooled states has long been the subject of intense debate. Recent, sophisticated experiments designed to observe the transformation between the two subcritical liquids on nano- and microsecond time scales, along with demanding numerical simulations based on classical (rigid) models parameterized to reproduce thermodynamic properties of water, have provided support to this hypothesis. A stronger numerical proof requires demonstrating that the critical point, which occurs at temperatures and pressures far from those at which the models were optimized, is robust with respect to model parameterization, specifically with respect to incorporating additional physical effects. Here, we show that a liquid–liquid critical point can be rigorously located also in the WAIL model of water [Pinnick et al., J. Chem. Phys. 137, 014510 (2012)], a model parameterized using ab initio calculations only. The model incorporates two features not present in many previously studied water models: It is both flexible and polarizable, properties which can significantly influence the phase behavior of water. The observation of the critical point in a model in which the water–water interaction is estimated using only quantum ab initio calculations provides strong support to the viewpoint according to which the existence of two distinct liquids is a robust feature in the free energy landscape of supercooled water. [ABSTRACT FROM AUTHOR]

We report on progress implementing and testing cryogenically cooled platforms for Magnetized Liner Inertial Fusion (MagLIF) experiments. Two cryogenically cooled experimental platforms were developed: an integrated platform fielded on the Z pulsed power generator that combines magnetization, laser preheat, and pulsed-power-driven fuel compression and a laser-only platform in a separate chamber that enables measurements of the laser preheat energy using shadowgraphy measurements. The laser-only experiments suggest that ∼89% ± 10% of the incident energy is coupled to the fuel in cooled targets across the energy range tested, significantly higher than previous warm experiments that achieved at most 67% coupling and in line with simulation predictions. The laser preheat configuration was applied to a cryogenically cooled integrated experiment that used a novel cryostat configuration that cooled the MagLIF liner from both ends. The integrated experiment, z3576, coupled 2.32 ± 0.25 kJ preheat energy to the fuel, the highest to-date, demonstrated excellent temperature control and nominal current delivery, and produced one of the highest pressure stagnations as determined by a Bayesian analysis of the data. [ABSTRACT FROM AUTHOR]

In magneto-inertial fusion, the ratio of the characteristic fuel length perpendicular to the applied magnetic field R to the α-particle Larmor radius ϱ α is a critical parameter setting the scale of electron thermal-conduction loss and charged burn-product confinement. Using a previously developed deep-learning-based Bayesian inference tool, we obtain the magnetic-field fuel-radius product B R ∝ R / ϱ α from an ensemble of 16 magnetized liner inertial fusion (MagLIF) experiments. Observations of the trends in BR are consistent with relative trade-offs between compression and flux loss as well as the impact of mix from 1D resistive radiation magneto-hydrodynamics simulations in all but two experiments, for which 3D effects are hypothesized to play a significant role. Finally, we explain the relationship between BR and the generalized Lawson parameter χ. Our results indicate the ability to improve performance in MagLIF through careful tuning of experimental inputs, while also highlighting key risks from mix and 3D effects that must be mitigated in scaling MagLIF to higher currents with a next-generation driver. [ABSTRACT FROM AUTHOR]

We studied chemical stability of atomic layer deposition-grown Al2O3 artificial solid electrolyte interphases (SEIs) on lithium and sodium upon contact with liquid electrolyte by electrochemical impedance spectroscopy (EIS) and in the case of Li also by x-ray photoelectron spectroscopy. Both methods show that the formed Al2O3 is porous for all nominal thicknesses, and that the natural SEI grows in its pores and cracks. EIS shows that the porosity of the SEI on Na is higher than the one observed on Li, in particular at higher nominal thicknesses of Al2O3. The observed values of activation energies related to the transport through the SEI indicate either a denser natural SEI in the pores of Al2O3 and/or considerable space charge effect between Al2O3 and the SEI phase. [ABSTRACT FROM AUTHOR]

Laser propagation experiments using four beams of the National Ignition Facility to deliver up to 35 kJ of laser energy at 351 nm laser wavelength to heat magnetized liner inertial fusion-scale (1 cm-long), hydrocarbon-filled gas pipe targets to ∼keV electron temperatures have demonstrated energy coupling >20 kJ with essentially no backscatter in 15% critical electron density gas fills with 0–19 T applied axial magnetic fields. The energy coupling is also investigated for an electron density of 11.5% critical and for applied field strengths up to 24 T at both densities. This spans a range of Hall parameters 0 < ω c e τ e i ≲ 2, where a Hall parameter of 0.5 is expected to reduce electron thermal conduction across the field lines by a factor of 4–5 for the conditions of these experiments. At sufficiently high applied field strength (and therefore Hall parameter), the measured laser propagation speed through the targets increases in the measurements, consistent with reduced perpendicular electron thermal transport; this reduces the coupled energy to the target once the laser burns through the gas pipe. The results compare well with a 1D analytic propagation model for inverse Bremsstrahlung absorption. [ABSTRACT FROM AUTHOR]

Cobalt complexes that undergo charge-transfer induced spin-transitions or valence tautomerism from low spin CoIII to high spin (HS) CoII are potential candidates for magneto-optical switches. We use M2,3-edge X-ray absorption near-edge structure (XANES) spectroscopy with 40 fs time resolution to measure the excited-state dynamics of CoIII(Cat-N-SQ)(Cat-N-BQ), where Cat-N-BQ and Cat-N-SQ are the singly and doubly reduced forms of the 2-(2-hydroxy-3,5-di-tert-butylphenyl-imino)-4,6-di-tert-butylcyclohexa-3,5-dienone ligand. The extreme ultraviolet probe pulses, produced using a tabletop high-harmonic generation light source, measure 3p → 3d transitions and are sensitive to the spin and oxidation state of the Co center. Photoexcitation at 525 nm produces a low-spin CoII ligand-to-metal charge transfer state which undergoes intersystem crossing to high-spin CoII in 67 fs. Vibrational cooling from this hot HS CoII state competes on the hundreds-of-fs time scale with back-intersystem crossing to the ground state, with 60% of the population trapped in a cold HS CoII state for 24 ps. Ligand field multiplet simulations accurately reproduce the ground-state spectra and support the excited-state assignments. This work demonstrates the ability of M2,3-edge XANES to measure ultrafast photophysics of molecular Co complexes. [ABSTRACT FROM AUTHOR]

We report on experimental measurements of how an externally imposed magnetic field affects plasma heating by kJ-class, nanosecond laser pulses. The experiments reported here took place in gas cells analogous to magnetized liner inertial fusion targets. We observed significant changes in laser propagation and energy deposition scale lengths when a 12T external magnetic field was imposed in the gas cell. We find evidence that the axial magnetic field reduces radial electron thermal transport, narrows the width of the heated plasma, and increases the axial plasma length. Reduced thermal conductivity increases radial thermal gradients. This enhances radial hydrodynamic expansion and subsequent thermal self-focusing. Our experiments and supporting 3D simulations in helium demonstrate that magnetization leads to higher thermal gradients, higher peak temperatures, more rapid blast wave development, and beam focusing with an applied field of 12T. [ABSTRACT FROM AUTHOR]

Aerosol particles are one of the main routes of transmission of COVID-19. Mobile air purifiers are used to reduce the risk of infection indoors. We focus on an air purifier that generates a defined volumetric air flow through a highly efficient filter material. We investigate the transport of aerosol particles from an infected dummy equipped with an aerosol generator to receiving thermal dummies. For analysis, we use up to 12 particle sensors to monitor the particle concentration with high spatial resolution. Based on the measurement data, a computational fluid dynamics (CFD) model is set up and validated. The experimental and numerical methods are used to investigate how the risk of infection suggested by the particle exposure in an exemplary lecture hall can be reduced by a clever choice of orientation of the air purifier. It turns out that obstructing the outlet stream of the air purifier may be particularly advantageous. The particle concentration at the head height deviates by 13% for variations of the location and orientation. At an air change per hour of 5, the cumulated PM1 mass at the head level was reduced by 75%, independently of the location of the infected dummy, compared to the "natural decay" case, showing that filtration is an effective means of reducing aerosol particle concentrations. Finally, CFD simulation was used to monitor the particle fates. The steady simulation results fit quite well with the experimental findings and provide additional information about the particle path and for assessing the comfort level due to air flow. [ABSTRACT FROM AUTHOR]

At the Z Facility at Sandia National Laboratories, the magnetized liner inertial fusion (MagLIF) program aims to study the inertial confinement fusion in deuterium-filled gas cells by implementing a three-step process on the fuel: premagnetization, laser preheat, and Z-pinch compression. In the laser preheat stage, the Z-Beamlet laser focuses through a thin polyimide window to enter the gas cell and heat the fusion fuel. However, it is known that the presence of the few μm thick window reduces the amount of laser energy that enters the gas and causes window material to mix into the fuel. These effects are detrimental to achieving fusion; therefore, a windowless target is desired. The Lasergate concept is designed to accomplish this by "cutting" the window and allowing the interior gas pressure to push the window material out of the beam path just before the heating laser arrives. In this work, we present the proof-of-principle experiments to evaluate a laser-cutting approach to Lasergate and explore the subsequent window and gas dynamics. Further, an experimental comparison of gas preheat with and without Lasergate gives clear indications of an energy deposition advantage using the Lasergate concept, as well as other observed and hypothesized benefits. While Lasergate was conceived with MagLIF in mind, the method is applicable to any laser or diagnostic application requiring direct line of sight to the interior of gas cell targets. [ABSTRACT FROM AUTHOR]

Organic light-emitting diode (OLED) displays using flexible substrates have many attractive features. Since transparent conductive oxides do not fit the requirements of flexible devices, conductive polymer poly(3,4-ethylenedioxythiophene):poly(4-styrenesulfonate) (PEDOT:PSS) has been proposed as an alternative. The charge injection and accumulation in OLED devices with PEDOT:PSS anodes are investigated and compared with indium tin oxide anode devices. Higher current density and electroluminescence light intensity are achieved for the OLED device with a PEDOT:PSS anode. The electric field induced second-harmonic generation technique is used for direct observation of temporal evolution of electric fields. It is clearly demonstrated that the improvement in the device performance of the OLED device with a PEDOT:PSS anode is associated with the smooth charge injection and accumulation. [ABSTRACT FROM AUTHOR]

Motivated by the intriguing phase behavior of charged colloidal platelets, we investigate the structure and dynamics of charged repulsive disks by means of Monte Carlo simulations. The electrostatic interactions are taken into account through an effective two-body potential, obtained within the nonlinear Poisson-Boltzmann formalism, which has the form of anisotropic screened Coulomb potential. Recently, we showed that the original intrinsic anisotropy of the electrostatic potential in competition with excluded volume effects leads to a rich phase behavior that not only includes various liquid-crystalline phases but also predicts the existence of novel structures composed of alternating nematic-antinematic sheets. Here, we examine the structural and dynamical signatures of each of the observed structures for both translational and rotational degrees of freedom. Finally, we discuss the influence of effective charge value and our results in relation to experimental findings on charged platelet suspensions. [ABSTRACT FROM AUTHOR]

We present an experimental study of the laser-induced luminescence spectra of Mn atoms in solid helium matrices. We observe transitions of the valence electron and of inner-shell electrons. We find that the Mn-He interaction perturbs the inner-shell transitions to a lesser extent than the valence-electron transitions. The observed lineshapes of the inner-shell transitions of Mn are similar to those of an inner-shell transition in Ba studied earlier. At the same time, they are more strongly perturbed than the corresponding transitions in Au and Cu under the same conditions. We suggest a qualitative explanation of these observations based on the atomic bubble model. Our results also suggest that the inner-shell transitions of Mn in solid He are more strongly perturbed than the same lines of Mn isolated in solid Ar or Kr matrices. [ABSTRACT FROM AUTHOR]

The existence of a ferroelectric fluid phase for systems of 1000-2000 dipolar hard or soft spheres is well established by numerical simulations. Theoretical approaches proposed to determine the stability of such a phase are either in qualitative agreement with the simulation results or disagree with them. Experimental results for systems of molecules or particles with large electric or magnetic dipole moments are also inconclusive. As a contribution to the question of existence and stability of a fluid ferroelectric phase this simulation work considers system sizes of the order of 10 000 particles, thus an order of magnitude larger than those used in previous studies. It shows that although ferroelectricity is not affected by an increase of system size, different spatial arrangements of the dipolar hard spheres in such a phase are possible whose free energies seem to differ only marginally. [ABSTRACT FROM AUTHOR]

The core-shell arrangement of binary compound plasmonic nanoparticles (NPs) is usually verified by plasmonic extinction spectra, since microscopy-based methods cannot provide analysis of many NPs. Here, we discuss possible scenarios of different metal arrangements: (i) core-shell model, (ii) bimetallic model, and (iii) mixture of pure metal NPs. The possibility of distinguishing individual cases is discussed in accordance with numerical simulations and an alternative characterization is suggested. [ABSTRACT FROM AUTHOR]

Optimizing the performance of the Magnetized Liner Inertial Fusion (MagLIF) platform on the Z pulsed power facility requires coupling greater than 2 kJ of preheat energy to an underdense fuel in the presence of an applied axial magnetic field ranging from 10 to 30 T. Achieving the suggested optimal preheat energies has not been experimentally achieved so far. In this work, we explore the preheat design space for cryogenically cooled MagLIF targets, which represent a viable candidate for increasing preheat energies. Using 2D and 3D HYDRA MHD simulations, we first discuss the various physical effects that occur during laser preheat, such as laser energy deposition, self-focusing, and filamentation. After identifying the changes that different phase plates, gas-fill densities, and magnetic fields bring to the aforementioned physical effects, we, then, consider higher laser energies that are achievable with modest upgrades to the Z Beamlet laser. Finally, with a 6.0-kJ upgraded laser, 3D calculations suggest that it is possible to deliver 4.25 kJ into the MagLIF fuel, resulting in an expected deuterium neutron yield of Y DD ≃ 1.5 × 10 14 , or roughly 50 kJ of DT equivalent yield, at 20-MA current drive. This represents a 10-fold increase in the currently achieved yields for MagLIF. [ABSTRACT FROM AUTHOR]

The magnetized liner inertial fusion (MagLIF) scheme relies on coupling laser energy into an underdense fuel raising the fuel adiabat at the start of the implosion. To deposit energy into the fuel, the laser must first penetrate a laser entrance hole (LEH) foil which can be a significant energy sink and introduce mix. In this paper, we report on experiments investigating laser energy coupling into MagLIF-relevant gas cell targets with LEH foil thicknesses varying from 0.5 lm to 3 lm. Two-dimensional (2D) axisymmetric simulations match the experimental results well for 0.5 lm and 1 lm thick LEH foils but exhibit whole-beam self-focusing and excessive penetration of the laser into the gas for 2 lm and 3 lm thick LEH foils. Better agreement for the 2 lm-thick foil is found when using a different thermal conductivity model in 2D simulations, while only 3D Cartesian simulations come close to matching the 3 lm-thick foil experiments. The study suggests that simulations may over-predict the tendency for the laser to self-focus during MagLIF preheat when thicker LEH foils are used. This effect is pronounced with 2D simulations where the azimuthally symmetric density channel effectively self-focuses the rays that are forced to traverse the center of the plasma. The extra degree of freedom in 3D simulations significantly reduces this effect. The experiments and simulations also suggest that, in this study, the amount of energy coupled into the gas is highly correlated with the laser propagation length regardless of the LEH foil thickness. [ABSTRACT FROM AUTHOR]

The morphology of the stagnated plasma resulting from magnetized liner inertial fusion is measured by imaging the self-emission x rays coming from the multi-keV plasma. Equivalent diagnostic responses can be generated by integrated radiation-magnetohydrodynamic (rad-MHD) simulations from programs such as HYDRA and GORGON. There have been only limited quantitative ways to compare the image morphology, that is the texture, of simulations and experiments. We have developed a metric of image morphology based on the Mallat scattering transformation (MST), a transformation that has proved to be effective at distinguishing textures, sounds, and written characters. This metric is designed, demonstrated, and refined by classifying ensembles (i.e., classes) of synthetic stagnation images and by regressing an ensemble of synthetic stagnation images to the morphology (i.e., model) parameters used to generate the synthetic images. We use this metric to quantitatively compare simulations to experimental images, experimental images to each other, and to estimate the morphological parameters of the experimental images with uncertainty. This coordinate space has proved to be very adept at doing a sophisticated relative background subtraction in the MST space. This was needed to compare the experimental self-emission images to the rad-MHD simulation images. [ABSTRACT FROM AUTHOR]

We present a systematic experimental study of absorption and fluorescence spectra of Au atoms in bulk liquid and solid helium matrices. The results are compared to the spectra of Cu atoms studied earlier. We investigate the dependence of the observed spectral lineshapes on the helium pressure. The observed splitting of the 5d106p - 5d96s2 transitions of Au in hcp solid He gives evidence for an anisotropic trapping site structure formed either by a non-spherical atomic bubble or a four-vacancy center. [ABSTRACT FROM AUTHOR]

We investigate, by Monte Carlo simulation, the effect of the steepness of the short range repulsive potential on mesostructure formation in dipolar particles submitted to a strong external field. Columnar clusters made of several dipolar chains are only observed when the short-range potential is sufficiently steep. The confinement of the dipolar liquid in a slit geometry instead of bulk conditions suppresses the formation of columns. [ABSTRACT FROM AUTHOR]

Significant variations in plasma formation have been observed for thick aluminum rods with varying initial surface conditions when pulsed by an intense current in a z-pinch configuration. Rods were fabricated on a lathe to a diameter of 1.0 mm followed by a 300 μm wide and 6 mm long strip milled on the surface to remove a portion of the azimuthally extended machining marks left by the lathe. A subset of these rods was then electropolished, reducing the azimuthally extended machining marks and reducing the mean surface roughness. The fabrication process provided two types of rods with several surface finishes: a smooth surface (both the milled flat face and curved region), a rough surface (milled flat faced region), and an azimuthally extended rough surface (curved region), to study the effect of surface finish on plasma formation. Rods with azimuthally extended surface defects left by the machining process form plasma early compared to rods that have had the azimuthally extended features removed and/or reduce by electropolishing the surface or milling away a section of the surface. [ABSTRACT FROM AUTHOR]

Prior to implosion in Magnetized Liner Inertial Fusion (MagLIF), the fuel is heated to temperatures on the order of several hundred eV with a multi-kJ, multi-ns laser pulse. We present two laser heated plasma experiments, relevant to the MagLIF preheat stage, performed at Z with beryllium liners filled with deuterium and a trace amount of argon. In one experiment, there is no magnetic field and, in the other, the liner and fuel are magnetized with an 8.5 T axial magnetic field. The recorded time integrated, spatially resolved spectra of the Ar K-shell emission are sensitive to electron temperature Te. Individual analysis of the spatially resolved spectra produces electron temperature distributions Te(z) that are resolved along the axis of laser propagation. In the experiment with magnetic field, the plasma reaches higher temperatures and the heated region extends deeper within the liner than in the unmagnetized case. Radiation magnetohydrodynamics simulations of the experiments are presented and post-processed. A comparison of the results from experimental and simulated data reveals that the simulations underpredict Te in both cases but the differences are larger in the case with magnetic field. [ABSTRACT FROM AUTHOR]

[Co0.4 nm/Pd0.7 nm]50 multilayers with Pd film thicknesses in the first ferromagnetic maximum of interlayer exchange coupling display almost purely perpendicular-to-plane anisotropy and labyrinth stripe domain patterns in remanence. Their magnetization reversal is characterized by domain nucleation starting at a defined field HN and domain wall movement in a defined magnetic field range. The modification of the magnetization reversal by 10 keV He ion bombardment due to the reduced magnetic anisotropy has been investigated by polar magneto-optical Kerr effect, by vibrating sample magnetometry, and by magnetic force microscopy at room temperature. It is shown that the ion bombardment creates and increases areas with ferromagnetic in-plane anisotropy and proportions of the sample showing superparamagnetism, the latter predominantly in the deeper layers. [ABSTRACT FROM AUTHOR]

A thermally accelerated aging for degradation study was used to evaluate the degradation of organic transistor with shallow and deeps traps. A negative threshold voltage shift related to the increase of trapped charge density during the aging was only observed for device with initial shallow traps, while no shift was recorded for devices with deep traps. However, a decrease in the mobility was detected, and an almost constant contact resistance was estimated for both types of devices. Analysis of the potential distribution revealed the conservation of the potential drop on the injection electrode and across the channel region during the entire degradation process. As a result, the ratio of the injection and transit times was conserved and was independent from the shallow traps that were induced by accelerated aging. [ABSTRACT FROM AUTHOR]

The structures of bismuth cluster cations in the range between 4 and 14 atoms have been assigned by a combination of gas phase ion mobility and trapped ion electron diffraction measurements together with density functional theory calculations. We find that above 8 atoms the clusters adopt prolate structures with coordination numbers between 3 and 4 and highly directional bonds. These open structures are more like those seen for clusters of semiconducting-in-bulk elements (such as silicon) rather than resembling the compact structures typical for clusters of metallic-in-bulk elements. An accurate description of bismuth clusters at the level of density functional theory, in particular of fragmentation pathways and dissociation energetics, requires taking spin-orbit coupling into account. For n = 11 we infer that low energy isomers can have fragmentation thresholds comparable to their structural interconversion barriers. This gives rise to experimental isomer distributions which are dependent on formation and annealing histories. [ABSTRACT FROM AUTHOR]

A monodispersed fullerene material comprising exclusively C58 cages was doped with Cs to generate CsxC58 films of various compositions. The resulting modified properties have been studied using a variety of surface analysis methods with emphasis on thermal desorption and ultraviolet photoelectron spectroscopies. Cs doping raises the thermal stability of C58 films which are characterized by quasi-covalent cage-cage bonds between annelated pentagon sites. Desorption mass spectra show emission of significant amounts of C60 at elevated temperatures implying that Cs doping can activate C58→C60 conversion in the condensed phase. In the case of saturated CsxC58 films, up to 4.5% of the initially deposited C58 can be desorbed as C60. From the spectroscopic data, we infer that Cs insertion and transport into the interstitial sites of the C58 solid is accompanied by spontaneous electron transfer to the electronegative fullerene framework-leading to a weakening of intercage carbon-carbon bonds. At the same time, the overall cohesion of the solid film is enhanced by the formation of multiple ionic Cs+βC58-δ interactions. Near 800 K, Cs+ activates/catalyzes concerted disproportionation reactions resulting in the transfer of C2 from C58-δ to neighbouring cages to yield C60 (and C56). Heating CsxC58 films to beyond this temperature range yields a (high temperature) stable reaction product with a significantly modified UP spectrum and a finite density of states at the Fermi level. [ABSTRACT FROM AUTHOR]

The gradual channel approximation is widely used for organic field-effect transistors with an assumption of linear potential profile across the channel. However, this is in contradiction with reported potential profiles. Here, we discuss linear and nonlinear potential profiles in the meaning of the space-charge field generated by injected carriers. The influence on current-voltage relation used for mobility evaluation in linear and saturated regions is proposed as well as transition between these states. In addition, the effect of the space-charge on the potential drop and field around the drain electrode in the saturation region is discussed. [ABSTRACT FROM AUTHOR]

The current-voltage (I-V) measurement is one of the most common indirect measurements of ferroelectric phenomena. Here, we show that the I-V characteristic of a pentacene/poly(vinylidene fluoride - trifluoroethylene) double-layer device sandwiched between two metal electrodes can be converted into the electric field-voltage plot on the basis of the Maxwell-Wagner (MW) model. The model-predicted result is in agreement with the experimental result of the electric field, which is directly probed by optical second-harmonic generation measurement. The proposed MW model is suitable for analyzing the double-layer device with a ferroelectric layer. [ABSTRACT FROM AUTHOR]

The material formed by depositing C2- anions onto/into thin C60 films (on graphite) at room temperature has been studied by means of thermal desorption mass spectroscopy, ultraviolet photoionization spectroscopy, atomic force microscopy (AFM), and surface enhanced Raman spectroscopy. As-prepared, C2/C60 films manifest thermal desorption behaviour which differs significantly from pure C60 films. Whereas the latter can be fully sublimed, we observe decomposition of C2/C60 films to a high-temperature-stable material while predominantly C60, C62, and C64 are desorbed in parallel. Deposition of C2- also leads to significantly modified electronic and vibrational properties. Based on DFT model calculations of the Raman spectra, we suggest that as-prepared C2/C60 films contain appreciable amounts of polymeric networks comprising -C2-C60-C2-C60- chains. Detection of sublimed C62 and C64 upon heating implies that thermal decomposition of C2/C60 films involves addition/uptake of C2 units into individual fullerene cages. Correspondingly, annealing films up to various intermediate temperatures results in significant modifications to valence-band UP spectra as well as to surface topographies as imaged by AFM. The novel carbonaceous material obtained by heating to T > 950 K has a finite density of states at the Fermi level in contrast to as-prepared C2/C60. It comprises fused fullerene cages. [ABSTRACT FROM AUTHOR]

Sputter deposited Mn83Ir17(30 nm)/Co70Fe30(10 nm)/Ta thin films have been investigated for their thermal exchange bias field drift at different storage temperatures after 10 keV He+ ion bombardment in an externally applied in-plane magnetic field. It is experimentally shown that the drift coefficient in an intermediate time interval, as given in a recently developed model, is proportional to T and proportional to the initial number of coupling sites in the polycrystalline exchange bias layer system used. [ABSTRACT FROM AUTHOR]

By using time-resolved optical electric-field-induced second-harmonic generation measurement, we directly probed photo-voltage generation process in organic double-layer (pentacene/C60) solar cells. Results showed that photoillumination induced negative excess charge Qs = -3.6 × 10-9 C/cm2 at the pentacene/C60 interface, and the induced charge caused generation of the open-circuit voltage 0.26 V. Using an equivalent circuit based on a Maxwell-Wagner (MW) effect model well accounted for the excess charge accumulation process. The MW model analysis also well accounted for the open-circuit voltage, the short-circuit current, and the fill-factor of organic solar cells (OSCs). We concluded that the excess charges due to the MW effect give a significant effect on the photovoltaic effect of OSCs. [ABSTRACT FROM AUTHOR]

Mesostructures formed by dipolar particles confined between two parallel walls and subjected to an external field are studied by Monte Carlo simulations. The main focus of the work is the structural behavior of the Stockmayer fluid in the low density regime. The dependence of cluster thickness and ordering is estimated as a function of density and wall separation, the two most influential parameters, for large dipole moments and high field strengths. The great sensitivity of the structure to details of the short-range part of the interactions is pointed out. In particular, the attractive part of the Lennard-Jones potential is shown to play a major role in driving chain aggregation. The effect of confinement, evaluated by comparison with results for a bulk system, is most pronounced for a short range hard sphere potential. No evidence is found for a novel 'gel-like' phase recently uncovered in low density dipolar colloidal suspensions [A. K. Agarwal and A. Yethiraj, Phys. Rev. Lett. 102, 198301 (2009)]. [ABSTRACT FROM AUTHOR]

The effect of Si-doping on the morphology, structure, and transport properties of nanowires was investigated. The nanowires were deposited by selective-area metal organic vapor phase epitaxy in an N2 ambient. It is observed that doping systematically affects the nanowire morphology but not the structure of the nanowires. However, the transport properties of the wires are greatly affected. Room-temperature four-terminal measurements show that with an increasing dopant supply the conductivity monotonously increases. For the highest doping level the conductivity is higher by a factor of 25 compared to only intrinsically doped reference nanowires. By means of back-gate field-effect transistor measurements it was confirmed that the doping results in an increased carrier concentration. Temperature dependent resistance measurements reveal, for lower doping concentrations, a thermally activated semiconductor-type increase of the conductivity. In contrast, the nanowires with the highest doping concentration show a metal-type decrease of the resistivity with decreasing temperature. [ABSTRACT FROM AUTHOR]

The instability of organic monolayer composed of polar molecules at the air-water interface has been a spotlight in interface science for many decades. However, the effect of electrostatic energy contribution to the free energy in the system is still not understood. Herein, we investigate the mechanical and electrical properties by studying the isobaric relaxation process of a dipalmitoyl phosphatidylcholine monolayer on water subphase with various concentrations of divalent ions to reveal the effect of electrostatic energy on thermodynamics and kinetics of the collapse mechanism. Our results demonstrate that electrical energy among the dipolar molecules plays an important role in the stability of monolayer and enhances the formation of micelles into subphase under high pressure. In addition, to confirm the electrostatic energy contribution, the well-known thermal effect on the stability of the film is compared. Hence, the general description of the monolayer free energy with contribution of electrostatic energy is suggested to describe the phase transition. [ABSTRACT FROM AUTHOR]

The effect of silver nanoparticles self-assembled monolayer (Ag NPs SAM) on charge transport in pentacene organic field-effect transistors (OFET) was investigated by both steady-state and transient-state methods, which are current-voltage measurements in steady-state and time-resolved microscopic (TRM) second harmonic generation (SHG) in transient-state, respectively. The analysis of electronic properties revealed that OFET with SAM exhibited significant charge trapping effect due to the space-charge field formed by immobile charges. Lower transient-state mobility was verified by the direct probing of carrier motion by TRM-SHG technique. It was shown that the trapping effect rises together with increase of SAM layers suggesting the presence of traps in the bulk of NP films. The model based on the electrostatic charge barrier is suggested to explain the phenomenon. [ABSTRACT FROM AUTHOR]

The thermal exchange bias field drift of sputter deposited Mn83Ir17(15 nm)/Co70Fe30(10 nm)/Ta thin films at room temperature after 10 keV He+ ion bombardment in an externally applied in-plane magnetic field for different ion fluences was studied. Although field cooling of the layer system resulted in a temporally stable exchange bias field at room temperature the exchange bias field starts to drift after ion bombardment like in non-annealed samples. Between 1 and 648 h after ion bombardment a logarithmic increase in the absolute magnitude of the exchange bias field is observed. A tentative model is presented for its description based on noninteracting domains in the antiferromagnet. A comparison between experimental data and the model reveals the delicate interplay between the ion bombardment modified average antiferromagnetic anisotropy constants, exchange coupling constants, and relaxation time distributions in the polycrystalline layer system influencing the thermal drift velocities. [ABSTRACT FROM AUTHOR]

By a combination of gas phase ion mobility measurements and relativistic density functional theory calculations with inclusion of spin-orbit coupling, we assign structures of lead cluster cations and anions in the range between 4 and 15 atoms. We find a planar rhombus for the tetramer, a trigonal bipyramid for the pentamer, and a pentagonal bipyramid for the heptamer, independent of charge state. For the hexamer, the cation and anion structures differ: we find an octahedron for the anion while the cation consists of fused tetrahedra. For the octamer, we find in both cases structures based on the pentagonal bipyramid motif plus adatom. For the larger clusters investigated we always find different structures for cations and anions. For example, Pb12- is confirmed to be a hollow icosahedron while Pb12+ is a truncated filled icosahedron. Pb13+ is a filled icosahedron but Pb13- is a hollow icosahedron with the additional atom capping a face. In order to get experimental information on the relative stabilities, we investigated the collision induced dissociation mass spectra for the different cluster sizes and charge states, and observe a strong correlation with the calculated fragmentation energies. Up to n = 13 the main fragmentation channel is atom loss; for the larger cluster sizes we observe fission into two large fragments. This channel is dominant for larger anions, less pronounced but clearly present for the cations. [ABSTRACT FROM AUTHOR]

Considering a system of Gaussian particles confined between two hard, parallel plates, we investigate at T = 0, ordered equilibrium configurations that the system forms as the distance D between the plates gradually increases. Using a very sensitive and reliable optimization technique that is based on ideas of genetic algorithms, we are able to identify the emerging sequences of the energetically most favorable structures. Although the resulting phase diagram is rather complex, its essential features can be reduced to the discussion of two archetypes of structural transitions: (i) a continuous transformation at a fixed number of layers, leading from a square to a centered rectangular and then to a hexagonal lattice; (ii) a discontinuous transition, transforming a hexagonal to a square lattice via complex intermediate structures, i.e., the so-called buckling transition, which is encountered as the system forms a new layer. Detailed Monte Carlo simulations are able to confirm the theoretical predictions on a semiquantitative level but are not able to grasp the tiny energetic differences between competing structures. [ABSTRACT FROM AUTHOR]

We employ a combination of ion mobility measurements and an unbiased systematic structure search with density functional theory methods to study structure and energetics of gas phase tin cluster cations, Snn+, in the range of n = 3-15. For Sn13+ we also carry out trapped ion electron diffraction measurements to ascertain the results obtained by the other procedures. The structures for the smaller systems are most easily described by idealized point group symmetries, although they are all Jahn-Teller distorted: D3h (trigonal bipyramid), D4h (octahedron), D5h (pentagonal bipyramid) for n = 5, 6, and 7. For the larger systems we find capped D5h for Sn8+ and Sn9+, D3h (tricapped trigonal prism) and D4d (bicapped squared antiprism) plus adatoms for n = 10, 11, 14, and 15. A centered icosahedron with a peripheral atom removed is the dominant motif in Sn12+. For Sn13+ the calculations predict a family of virtually isoenergetic isomers, an icosahedron and slightly distorted icosahedra, which are about 0.25 eV below two C1 structures. The experiments indicate the presence of two structures, one from the Ih family and a prolate C1 isomer based on fused deltahedral moieties. [ABSTRACT FROM AUTHOR]

We present comparative experimental and theoretical studies of the absorption and fluorescence spectra of the alkali-metal dimer molecules Cs2 and RbCs immersed in a solid helium matrix, thereby extending our recent observations of Rb2 in solid 4He. The laser-excited molecular states are mostly quenched by the interaction with the He matrix. The quenching efficiently populates the second lowest excited state of the molecule, i.e., (1) 3Π(u) that is metastable in the homonuclear dimers. Molecular excitation and emission bands are modeled by calculating Franck-Condon factors that give a reasonable agreement with the experimental findings. [ABSTRACT FROM AUTHOR]

Copper atoms and molecules are laser ablated into bulk liquid and solid helium, and the emission spectra of the laser excited D→X, B→X, and a→X transitions of Cu2 are observed to exhibit clearly resolved vibrational bands. Surprisingly, for the D→X and the B→X transitions, no differences were observed for superfluid He at 1.5 K, for the normal liquid at 2.65 K, or for the 1.5 K solid at higher pressures of about 30 bars. An interpretation based on the bubble model indicates that the interaction with the He matrix is much weaker than in the case of the alkali atoms. Compared to other solid rare gas matrices, the line shifts and line widths in condensed helium are much smaller by nearly an order of magnitude. [ABSTRACT FROM AUTHOR]

To understand the physical meaning of threshold voltage in organic field-effect transistors (OFETs), we studied the threshold voltage (shift) dependence on gate-insulator thickness as well as active-layer thickness, by using pentacene OFETs with and without a dipole interlayer between pentacene active layer and SiO2 gate insulator. Results showed that the presence of dipole monolayer caused a large threshold voltage shift and there was a linear relationship between the threshold voltage shift and the layer thickness of pentacene as well as SiO2. Assuming the pentacene film is a dielectric layer and the threshold voltage in pentacene OFET is determined from a zero-electric-field condition at the gate insulator interface, we propose a model based on compensation of the local electric field in the vicinity of semiconductor and gate insulator interface. The model well accounts for both the large negative threshold voltage shift and the linear relation. These findings reveal the importance of interfacial electric field for analyzing organic devices. [ABSTRACT FROM AUTHOR]

A pillared interlayered clay is represented by a two-dimensional quenched charged disordered medium, in which the pillar configuration is produced by the quench of a two-dimensional electrolyte and the subsequent removal of the anions (that act as a template). The cation charge is counterbalanced by a neutralizing background that is an ideal representation of the layer’s negative charge in the experimental system. In this paper we investigate the adsorption of electrolyte particles in this charged disordered medium resorting both to the use of the replica Ornstein–Zernike equation in the hypernetted chain approximation and grand canonical Monte Carlo simulations. The theoretical approach qualitatively reproduces the simulated behavior of the adsorbed fluids. Theoretical estimates of the material porosities obtained for various types of pillar distributions are in good agreement with the simulation. We investigate the influence of the matrix on correlation functions and adsorption isotherms. [ABSTRACT FROM AUTHOR]