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Electrohydrodynamic Interaction of a Pair of Spherical Drops

The axisymmetric electrohydrodynamic interaction between two spherical emulsion drops has been examined, using the leaky dielectric model to represent the constitutive behavior of the liquid phases. The results follow from the general solutions in bispherical coordinates to the Laplace equation for the electric potential and the Stokes equations for the velocity field. For drops of similar composition, the electrical interactions induced between the drops by the imposition of the electric field are always attractive, meaning they favor coalescence of the drop pair. The hydrodynamic interactions, however, are not always favorable and, indeed, are shown in certain circumstances to drive the drops apart.

Erker, J. A.↗

On the optical properties of carbon nanotubes. Part I. A general formula for the dynamical optical conductivity

This paper is the first one in a series of two articles in which we revisit the optical properties of single-walled carbon nanotubes (SWNTs). Produced by rolling up a graphene sheet, SWNTs owe their intriguing properties to their cylindrical quasi-one-dimensional (quasi-1D) structure (the ratio length/radius is experimentally of order of 10{sup 3}). We model SWNT by circular cylinders of small diameters on the surface of which the conduction electron gas is confined by the electric field generated by the fixed carbon ions. The pair-interaction potential considered is the 3D Coulomb potential restricted to the cylinder. To reflect the quasi-1D structure, we introduce a 1D effective many-body Hamiltonian which is the starting-point of our analysis. To investigate the optical properties, we consider a perturbation by a uniform time-dependent electric field modeling an incident light beam along the longitudinal direction. By using Kubo’s method, we derive within the linear response theory an asymptotic expansion in the low-temperature regime for the dynamical optical conductivity at fixed density of particles. The leading term only involves the eigenvalues and associated eigenfunctions of the (unperturbed) 1D effective many-body Hamiltonian and allows us to account for the sharp peaks observed in the optical absorption spectrum of SWNT.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Friction and Wear of Nanoadditive-Based Biolubricants in Steel–Steel Sliding Contacts: A Comparative Study

The present work deals with the study of tribo-pair interaction in lubricated sliding contacts. By considering the environmental issues, the sunflower oil was extracted from the sunflower seeds and used as a base lubricant. The two types of the nanoadditives, i.e., CuO and CeO{sub 2}, varying concentrations from 0.10 to 0.50% w/v were used to formulate the nanolubricants. The compatibility/synergism of the nanoadditives was examined from antifriction and antiwear behavior study with four-ball tester. Also, sunflower oil was modified by the chemical method to improve its fatty acid structure. A comparative tribological and compatibility study was also done in modified oil at similar concentration levels with both types of nanoparticles. The tribological test result exhibits 0.10% w/v concentration of the nanoadditive as optimum due to lowest wear scar and coefficient of friction. Higher concentration of the nanoparticles impaired the base oil performance. Different analytical tools were used to characterize the oil modification and worn surfaces. Moreover, the role of subsurface of the contacting material with the tribological performance has been reported.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Enhancing Adhesion: Relative Merits of Different Approaches

Adhesive performance is improved mainly by manipulation of the bimaterials interface zone, which is only a few molecules thick. There are three approaches to enhancement of interfacial adhesion at the molecular level. They are 1) changing the nonchemically bonded interactions across the interface from weak ones to strong ones, 2) making the true interfacial area much larger than the simple geometric area, and 3) inducing chemical bonding between the two materials forming the interface. Our goal this summer was to question some of the built-in assumptions contained within these approaches and to determine the most promising approach, both theoretically and practically, for enhancing adhesion in NASA structures. Our computations revealed that all three of these approaches have, in theory, the potential to enhance molecular adhesion approximately ten-fold. Experiments, however, revealed that this excellent level of enhancement is not likely to be reached in practice. Each approach was found to be severely limited by practical problems. In addition, some of the built-in assumptions associated with these approaches were found to be insufficient or inadequate. The first approach, changing the nonchemically bonded interactions from weak to strong, Is an example of one containing inadequate assumptions. The extensive literature on intermolecular interactions, based on solution studies, shows that certain functional group pairs interact much more strongly than others. It has always been assumed that these data can be reliably extended to systems where only one member of the pair is in solution and the other Is contained in a solid surface. Our experiments this summer demonstrated that solution data do not adequately predict the strength of functional group interaction at the solid-liquid interface. Furthermore, the strong solvents needed to dissolve the monomers or polymers to which the functional groups of interest are attached compete successfully with the solid surface for the functional group. As a result, functional groups in solution cannot pair with the complementary groups in the solid surface, and the expected enhancement of nonchemically bonded interactions is not realized. The second approach, increasing the true interfacial area, is an example of one containing inadequate assumptions and suffering from numerous practical problems. First, practitioners have assumed that material removal, such as bead blasting or etching, increases true surface area (and therefore interfacial area) in a meaningful way. Our geometric analysis demonstrated that removal methods increase area by a factor of two at most. To increase interfacial area by an order of magnitude or more. a thin layer of high porosity must be added to the substrate surface prior to application of the adhesive phase. Consistent with this finding, we attempted to create a thin layer of rigid, highly porous glass on the surface of our smooth glass substrate by means of sol-gel technology. We were unable to surmount a wide variety of practical problems and obtained only collapsed, nonporous layers. Thus this approach, appealing in principle, would require long term development and is not promising in the near term. The third approach, inducing chemical bonding at the interface, is an example of one having neither inadequate assumptions nor insurmountable practical problems. When silicate glass is the substrate, there are only a few chemical reactions that can be successfully conducted to create these chemical bonds, and these reactions usually involve silicon-containing reagents. We compared the silazane reagents to the silane reagents and found through experiment that the silazanes react with the glass surface much more readily, and under milder conditions, than the silanes. The functional groups attached to the glass surface by silazane reactions were not able to be removed by solvent extraction, elevated temperature exposure, or mechanical action. This clearly indicates that the formation of chemical bonds at the interface is the most effective approach for enhancing molecular adhesion.

Penn, L. S.↗

Directly visualizing the sign change of d-wave superconducting gap in Bi 2 Sr 2 CaCu 2 O 8+δ by phase-referenced quasiparticle interference

The superconducting state is formed by the condensation of Cooper pairs and protected by the superconducting gap. The pairing interaction between the two electrons of a Cooper pair determines the gap function. Thus, it is pivotal to detect the gap structure for understanding the mechanism of superconductivity. In cuprate superconductors, it has been well established that the gap may have a d-wave function. This gap function has an alternative sign change in the momentum space. It is however hard to visualize this sign change. Here we report the measurements of scanning tunneling spectroscopy in Bi 2 Sr 2 CaCu 2 O 8+δ and conduct the analysis of phase-referenced quasiparticle interference (QPI). We see the seven basic scattering vectors that connect the octet ends of the banana-shaped contour of Fermi surface. The phase-referenced QPI clearly visualizes the sign change of the d -wave gap. Lastly, our results illustrate an effective way for determining the sign change of unconventional superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Transformer spin-triplet superconductivity at the onset of isospin order in bilayer graphene

We consider the origin of superconductivity found recently in Bernal bilayer graphene at the onset of isospin-polarized order, trying to infer the pairing mechanism and superconducting order from the measurements available to date. The superconductivity is induced by a parallel magnetic field and persists well above the Pauli limit, indicating an unconventional scenario of quantum-critical pairing, where soft fluctuations of isospin give rise to spin-triplet superconductivity. We consider the scenario in which the pairing interaction is entirely repulsive, which stands in contrast to the typical quantum-critical pairing mechanisms. Superconductivity emerges through a “transformer” mechanism where, in the presence of an in-plane magnetic field, the incipient valley polarization converts a frequency-independent repulsion into one with a strong nonmonotonic frequency dependence. Such an interaction enables a nonzero solution for the pairing gap function that changes sign as a function of frequency. Furthermore, the same mechanism holds at zero field in the presence of spin-orbit coupling, providing a likely explanation for the recently observed superconductivity in bilayer graphene on the WSe 2 monolayer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Modeling fission dynamics at the barrier in a discrete-basis formalism

A configuration-interaction model is presented for the barrier region of induced fission. The configuration space is composed of seniority-zero configurations constructed from self-consistent mean-field wave functions. The Hamiltonian matrix elements between configurations include diabatic and pairing interactions between particles. Other aspects of the Hamiltonian are treated statistically, guided by phenomenological input of compound-nucleus transmission coefficients. In this exploratory study the configuration space is restricted to neutron excitations only. A key observable calculated in the model is the fission-to-capture branching ratio. We find that both pairing and diabatic interactions are important for achieving large branching to the fission channels. In accordance with the transition-state theory of fission, the calculated branching ratio is found to be quite insensitive to the fission decay widths of the pre-scission configurations. Furthermore, the barrier-top dynamics appear to be quite different from transition-state theory in that the transport is distributed over many excited configurations at the barrier top.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Unconventional pairing symmetry of interacting Dirac fermions on a π -flux lattice

The pairing symmetry of interacting Dirac fermions on the π-flux lattice is studied with the determinant quantum Monte Carlo and numerical linked-cluster expansion methods. The s*- (i.e., extended s-) and d-wave pairing symmetries, which are distinct in the conventional square lattice, are degenerate under the Landau gauge. We demonstrate that the dominant pairing channel at strong interactions is an unconventional ds*-wave phase consisting of alternating stripes of s*- and d-wave phases. A complementary mean-field analysis shows that while the s*- and d-wave symmetries individually have nodes in the energy spectrum, the ds* channel is fully gapped. The results represent a new realization of pairing in Dirac systems, connected to the problem of chiral d-wave pairing on the honeycomb lattice, which might be more readily accessed by cold-atom experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Possible signatures of mixed-parity superconductivity in doped polar SrTi O 3 films

Superconductors that possess both broken spatial inversion symmetry and spin-orbit interactions exhibit a mix of spin singlet and triplet pairing. In this work, we report on measurements of the superconducting properties of electron-doped, strained SrTiO 3 films. These films have an enhanced superconducting transition temperature and were previously shown to undergo a transition to a polar phase prior to becoming superconducting.We show that some films show signatures of an unusual superconducting state, such as an in-plane critical field that is higher than both the paramagnetic and orbital pair breaking limits. Furthermore, nonreciprocal transport, which reflects the ratio of odd versus even pairing interactions, is observed. Together, these characteristics indicate that these films provide a tunable platform for investigations of unconventional superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Critical temperature T c and Pauli limited critical field of Sr 2 RuO 4 : Uniaxial strain dependence

Variations of critical temperature T c and in-plane critical field H c 2 of Sr 2 Ru O 4 under uniaxial stress were recently reported. We compare the strain dependence of T c and H c 2 in various pairing channels ( d wave, extended s wave, and p -wave) with the experimental observations by studying a three-band tight-binding model that includes effects of spin-orbit and Zeeman couplings and a separable pairing interaction. Our study helps narrow down the possibility of pairing channels. The importance of the multiband nature of Sr 2 Ru O 4 is also highlighted.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Minimal nuclear energy density functional

In this paper, we present a minimal nuclear energy density functional (NEDF) called “SeaLL1” that has the smallest number of possible phenomenological parameters to date. SeaLL1 is defined by seven significant phenomenological parameters, each related to a specific nuclear property. It describes the nuclear masses of even-even nuclei with a mean energy error of 0.97 MeV and a standard deviation of 1.46 MeV , two-neutron and two-proton separation energies with rms errors of 0.69 MeV and 0.59 MeV respectively, and the charge radii of 345 even-even nuclei with a mean error ε r = 0.022 fm and a standard deviation σ r = 0.025 fm . SeaLL1 incorporates constraints on the equation of state (EoS) of pure neutron matter from quantum Monte Carlo calculations with chiral effective field theory two-body ( NN ) interactions at the next-to-next-to-next-to leading order (N3LO) level and three-body ( NNN ) interactions at the next-to-next-to leading order (N2LO) level. Two of the seven parameters are related to the saturation density and the energy per particle of the homogeneous symmetric nuclear matter, one is related to the nuclear surface tension, two are related to the symmetry energy and its density dependence, one is related to the strength of the spin-orbit interaction, and one is the coupling constant of the pairing interaction. Finally, we identify additional phenomenological parameters that have little effect on ground-state properties but can be used to fine-tune features such as the Thomas-Reiche-Kuhn sum rule, the excitation energy of the giant dipole and Gamow-Teller resonances, the static dipole electric polarizability, and the neutron skin thickness.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Transition from Sign-Reversed to Sign-Preserved Cooper-Pairing Symmetry in Sulfur-Doped Iron Selenide Superconductors

Here, an essential step toward elucidating the mechanism of superconductivity is to determine the sign or phase of the superconducting order parameter, as it is closely related to the pairing interaction. In conventional superconductors, the electron-phonon interaction induces attraction between electrons near the Fermi energy and results in a sign-preserved s-wave pairing. For high-temperature superconductors, including cuprates and iron-based superconductors, prevalent weak coupling theories suggest that the electron pairing is mediated by spin fluctuations which lead to repulsive interactions, and therefore that a sign-reversed pairing with an s± or d-wave symmetry is favored. Here, by using magnetic neutron scattering, a phase sensitive probe of the superconducting gap, we report the observation of a transition from the sign-reversed to sign-preserved Cooper-pairing symmetry with insignificant changes in T c in the S-doped iron selenide superconductors K x Fe 2-y (Se 1-z S z ) 2 . We show that a rather sharp magnetic resonant mode well below the superconducting gap (2Δ) in the undoped sample (z=0) is replaced by a broad hump structure above 2Δ under 50% S doping. These results cannot be readily explained by simple spin fluctuation-exchange pairing theories and, therefore, multiple pairing channels are required to describe superconductivity in this system. Our findings may also yield a simple explanation for the sometimes contradictory data on the sign of the superconducting order parameter in iron-based materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Incorporating seed fate into plant–frugivore networks increases interaction diversity across plant regeneration stages

Plant–animal mutualistic interactions, such as pollination and seed dispersal, affect ecosystem functioning by driving plant population dynamics. However, little is known of how the diversity of interactions in these mutualistic networks determines plant regeneration dynamics. To fill this gap, interaction networks should not only account for the number of seeds dispersed by animals, but also for seed fate after dispersal. Here, we compare plant–animal networks at both the seed dispersal and seedling recruitment stage to evaluate how interaction diversity, represented by different network metrics, changes throughout the process of plant regeneration. We focused on a system with six species of frugivorous birds and three species of fleshy‐fruited trees in the temperate secondary forest of the Cantabrian Range (northern Iberian Peninsula). We considered two plant cohorts corresponding to two fruiting years showing strong differences in fruit and frugivore abundance. Seed dispersal interactions were estimated from a spatially‐explicit, field‐validated model predicting tree and bird species‐specific seed deposition in different microhabitats. These interactions were further transformed into interactions at the seedling recruitment stage by accounting for plant‐ and microhabitat‐specific seed fates estimated from field sampling. We found that network interaction diversity varied across plant regeneration stages and cohorts, both in terms of the evenness and the number of paired interactions. Tree–bird interactions were more evenly distributed across species pairs at the recruitment stage than at the seed deposition stage, although some interactions disappeared in the seed‐to‐seedling transition for one plant cohort. The variations in interaction diversity were explained by between‐plant differences in post‐dispersal seed fate and in inter‐annual fruit production, rather than by differences between frugivores in seed deposition patterns. These results highlight the need for integrating plant traits and disperser quality to predict the functional outcome of plant–animal mutualistic networks.

Donoso, Isabel↗

Pairing statistics for infrared-luminous galaxies

A knowledge of the pairing fraction of IR-selected galaxies is important in understanding the role of interactions in star formation and nuclear activity. It is clear that interactions are extremely common among the most IR-luminous systems, but results have been inconsistent for less luminous systems; this may result from using peculiar morphology as an indicator of an interaction. Since features associated with milder interactions (e.g., tidal tails) tend to be faint, their detection necessarily depends on the depth of the survey used to identify interacting pairs. We present a sample of IR- and optically-selected galaxies for which we have computed pairing fractions using strictly geometrical, quantitative criteria. For the analysis we used a likelihood ratio technique developed by Keel and van Soest (1992). We find that the pairing fraction for IR-selected galaxies is roughly 30 percent, comparable to that found by Keel and van Soest for optically-selected starbursts. We also detect a strong correlation (r above 0.99) between the 60 micron luminosity of a galaxy sample and its pairing fraction. We conclude that although tidal interactions do not guarantee enhanced activity (AGN or starburst), they can amplify internal properties that would feed such activity.

Gallimore, J. F.↗

Probing the influence of ion-pairing on ligand-field excited-state dynamics

Exploration of the photophysical and photochemical properties of transition metal complexes has driven ground-breaking advancements in solar energy conversion technologies, including photoredox catalysis. While significant research has been devoted to understanding excited state properties of second- and third-row transition metal complexes, earth-abundant first-row metal complexes have received comparatively little attention in this context until very recently. In particular, the role of ion-pairing – which has been identified as a potentially significant factor for Ir(III)-based photosensitizers – has not been examined with regard to its influence on the ligand-field excited states that dominate much of first-row photophysics. A key challenge in studying ion-pair interactions lies in quantifying the extent and nature of ion-pairing, particularly in non-aqueous media where the vast majority of photophysical studies are performed. Cobalt(III) polypyridyl complexes provide an attractive platform to address such questions due to their demonstrated potential for applications in photoredox catalysis involving ligand-field excited states. In the present study, we prepared a cobalt(III) polypyridyl complex, [Co(4,4′-OMebpy) 3 ](BAr F 4 ) 3 (where 4,4′-OMebpy is 4,4′-dimethoxy-2,2′-bipyridine and BAr F 4 is tetrakis(3,5-bis(trifluoromethyl)-phenyl)borate) to probe ion-pairing in non-aqueous solutions. Specifically, analysis of data acquired from both variable-temperature diffusion ordered spectroscopy (DOSY) NMR and 1-D rotating-frame nuclear Overhauser effect (ROE) experiments allowed us to identify and differentiate between solvent-separated ion pairs in high-dielectric media and contact ion pairs in a low-dielectric solvent. Time-resolved absorption spectroscopy was then used to measure ground-state recovery dynamics under these varying conditions of ion-pairing, the results of which revealed an increase in excited-state lifetime for contact ion-pairs that we suggest arises from a reduction in outer-sphere reorganization energy relative to conditions which favored solvent-separated ion pairs. We believe this study demonstrates that one can leverage broadly available NMR-based methods to understand ion-pairing in non-aqueous solutions, which in turn can provide a microscopic picture of intermolecular interactions that can impact the photophysical properties of transition metal-based chromophores.

Ghosh, Atanu [Michigan State University, East Lans↗

Many-body factorization and position–momentum equivalence of nuclear short-range correlations

While mean-field approximations, such as the nuclear shell model, provide a good description of many bulk nuclear properties, they fail to capture the important effects of nucleon–nucleon correlations such as the short-distance and high-momentum components of the nuclear many-body wave function1. Here, we study these components using the effective pair-based generalized contact formalism and ab initio quantum Monte Carlo calculations of nuclei from deuteron to 40 Ca. We observe a universal factorization of the many-body nuclear wave function at short distance into a strongly interacting pair and a weakly interacting residual system. The residual system distribution is consistent with that of an uncorrelated system, showing that short-distance correlation effects are predominantly embedded in two-body correlations. Spin- and isospin-dependent ‘nuclear contact terms’ are extracted in both coordinate and momentum space for different realistic nuclear potentials. The contact coefficient ratio between two different nuclei shows very little dependence on the nuclear interaction model. These findings thus allow extending the application of mean-field approximations to short-range correlated pair formation by showing that the relative abundance of short-range pairs in the nucleus is a long-range (that is, mean field) quantity that is insensitive to the short-distance nature of the nuclear force.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Interatomic Potentials Models for Cu-Ni and Cu-Zr Alloys

This study explores a Bayesian calibration framework for the RAMPAGE alloy potential model for Cu-Ni and Cu-Zr systems, respectively. In RAMPAGE potentials, it is proposed that once calibrated potentials for individual elements are available, the inter-species interactions can be described by fitting a Morse potential for pair interactions with three parameters, while densities for the embedding function can be scaled by two parameters from the elemental densities. Global sensitivity analysis tools were employed to understand the impact each parameter has on the MD simulation results. A transitional Markov Chain Monte Carlo algorithm was used to generate samples from the multimodal posterior distribution consistent with the discrepancy between MD simulation results and DFT data. For the Cu-Ni system the posterior predictive tests indicate that the fitted interatomic potential model agrees well with the DFT data, justifying the basic RAMPAGE assumptions. For the Cu-Zr system, where the phase diagram suggests more complicated atomic interactions than in the case of Cu-Ni, the RAMPAGE potential captured only a subset of the DFT data. The resulting posterior distribution for the 5 model parameters exhibited several modes, with each mode corresponding to specific simulation data and a suboptimal agreement with the DFT results.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Atomistic Modeling of the Interphase Structure between Alumina and Al12Fe2Cr Quasicrystal Approximant

Molecular dynamics simulations are performed to study the stability of an fcc metallic interlayer phase between an iron aluminide quasicrystal approximant (QCA) phase (84.2 Al, 5.7 Fe, 5.4 Ni, and 4.7 at.% Cr) and aluminum oxides (α-Al 2 O 3 and γ-Al 2 O 3 ). The presence of the interlayer phase was experimentally observed in some regions of the inner diameter surface of a TPBAR cladding tube. The simulations employed existing many-body (MEAM and EAM) interatomic potentials to describe atomic interactions in the interlayer and QCA phases, and Buckingham+Coulomb pair interactions for the alumina and between the alumina and the QCA (or fcc). Interface systems of QCA/alumina, fec/alumina, and QCA/fcc are modeled and the fracture energy of the interfaces is calculated. Based on the fracture energies, for the γ-Al 2 O 3 , both MEAM and EAM suggest that the fcc interlayer phase would not form. For the α-Al 2 O 3 , the MEAM predicts that the fcc phase would form, however, the EAM predicts that it forms only if the α-Al 2 O 3 is Al-terminated at the interface. For the O-terminated α-Al 2 O 3 , the EAM predicts the fcc phase would not form, consistent with the results for γ-Al 2 O 3 .

36 MATERIALS SCIENCE↗