High performing ionanofluid electrolyte with higher lithium salt concentration for safer lithium metal batteries

A new class of high-performance pyrrolidinium cation based ionanofluid electrolytes with higher lithium salt concentration are developed. The electrolytes are formed by dispersing imidazolium ionic liquid functionalized TiO2 nanoparticles in low conducting, 0.6 M lithium salt doped N-alkyl-N-butylpyrrolidinium bis(trifluoromethylsulfonyl)imide (Pyr14TFSI) ionic liquid (IL) hosted electrolyte. Viscosity, ionic conductivity and thermal properties of these electrolytes are compared with well studied 0.2 M salt doped Pyr14TFSI IL-based electrolyte. The highly crystalline 0.6 M lithium salt dissolved IL-based electrolytes gradually become amorphous with the increasing dispersion of surface functionalized nanoparticles within it. The ionic conductivity of the electrolytes shows unusual viscosity decoupled characteristics and at the 5.0 wt% nanoparticle dispersion it attains a maximum value, higher than that of pure IL host. As compared to pure IL-based electrolytes, the ionanofluid electrolyte also possesses a significantly higher value of lithium ion transference number. The Li/LiMn2O4 cell with the best conducting ionanofluid electrolyte delivers a discharge capacity of about 131 mAh g-1 at 25 degree C at a current density of 24 mA g-1, much higher than that obtained in 0.2 M Li salt dissociated Pyr14TFSI electrolyte (87 mAh g-1). Superior interfacial compatibility between ionanofluid electrolyte and electrodes as indicated by the excellent rate performance with outstanding capacity retention of the cell as compared to pure IL-based analogue, further establish great application potentiality of this optimized newly developed electrolyte for safer LMBs.

Fission fragment mass distribution in $^{210}$Po and $^{213}$At

Background: The influence of shell effect on the dynamics of the fusion fission process and its evolution with excitation energy in the pre-actinide Hg-Pb region in general is a matter of intense research in recent years. In particular, a strong ambiguity remains for the neutron shell closed $^{210}$Po nucleus regarding the role of shell effect in fission around $approx$ 30 - 40 MeV of excitation energy. Purpose: We have measured the fission fragment mass distribution of $^{210}$Po populated using fusion of $^{4}$He + $^{206}$Pb at different excitation energies and compare the result with recent theoretical predictions as well as with our previous measurement for the same nucleus populated through a different entrance channel. Mass distribution in the fission of the neighbouring nuclei $^{213}$At is also studied for comparison. Methods: Two large area Multi-wire Proportional Counters (MWPC) were used for complete kinematical measurement of the coincident fission fragments. The time of flight differences of the coincident fission fragments were used to directly extract the fission fragment mass distributions. Results: The measured fragment mass distribution for the reactions $^{4}$He + $^{206}$Pb and $^{4}$He + $^{209}$Bi were symmetric and the width of the mass distributions were found to increase monotonically with excitation energy above 36.7 MeV and 32.9 MeV, respectively, indicating the absence of shell effects at the saddle. However, in the fission of $^{210}$Po, we find minor deviation from symmetric mass distributions at the lowest excitation energy (30.8 MeV). Conclusion: Persistence of shell effect in fission fragment mass distribution of $^{210}$Po was observed at the excitation energy $approx$ 31 MeV as predicted by the theory; at higher excitation energy, however, the present study reaffirms the absence of any shell correction in the fission of $^{210}$Po.

Broadband pump-probe study of biexcitons in chemically exfoliated layered WS$_{2}$

Strong light-matter interactions in layered transition metal dichalcogenides (TMDs) open up vivid possibilities for novel exciton-based devices. The optical properties of TMDs are dominated mostly by the tightly bound excitons and more complex quasiparticles, the biexcitons. Instead of physically exfoliated monolayers, the solvent-mediated chemical exfoliation of these 2D crystals is a cost-effective, large-scale production method suitable for real device applications. We explore the ultrafast excitonic processes in WS$_{2}$ dispersion using broadband femtosecond pump-probe spectroscopy at room temperature. We detect the biexcitons experimentally and calculate their binding energies, in excellent agreement with earlier theoretical predictions. Using many-body physics, we show that the excitons act like Weiner-Mott excitons and explain the origin of excitons via first-principles calculations. Our detailed time-resolved investigation provides ultrafast radiative and non-radiative lifetimes of excitons and biexcitons in WS$_{2}$. Indeed, our results demonstrate the potential for excitonic quasiparticle-controlled TMDs-based devices operating at room temperature.

Curvilinear polyhedra as dynamical arenas, illustrated by an example of self-organized locomotion

Experiment shows that dumbbells, placed inside a tilted hollow cylindrical drum that rotates slowly around its axis, climb uphill by forming dynamically stable pairs, seemingly against the pull of gravity. Analysis of this experiment shows that the dynamics takes place in an underlying space which is a curvilinear polyhedron inside a six dimensional manifold, carved out by unilateral constraints that arise from the non-interpenetrability of the dumbbells. The energetics over this polyhedron localizes the configuration point within the close proximity of a corner of the polyhedron. This results into a strong entrapment, which provides the configuration of the dumbbells with its observed shape that leads to its functionality -- uphill locomotion. The stability of the configuration is a consequence of the strong entrapment in the corner of the polyhedron.

CMB Lensing Power Spectrum Biases from Galaxies and Clusters using High-angular Resolution Temperature Maps

The lensing power spectrum from cosmic microwave background (CMB) temperature maps will be measured with unprecedented precision with upcoming experiments, including upgrades to ACT and SPT. Achieving significant improvements in cosmological parameter constraints, such as percent level errors on sigma_8 and an uncertainty on the total neutrino mass of approximately 50 meV, requires percent level measurements of the CMB lensing power. This necessitates tight control of systematic biases. We study several types of biases to the temperature-based lensing reconstruction signal from foreground sources such as radio and infrared galaxies and the thermal Sunyaev-Zeldovich effect from galaxy clusters. These foregrounds bias the CMB lensing signal due to their non-Gaussian nature. Using simulations as well as some analytical models we find that these sources can substantially impact the measured signal if left untreated. However, these biases can be brought to the percent level if one masks galaxies with fluxes at 150 GHz above 1 mJy and galaxy clusters with masses above M_vir = 10^14 M_sun. To achieve such percent level bias, we find that only modes up to a maximum multipole of l_max ~ 2500 should be included in the lensing reconstruction. We also discuss ways to minimize additional bias induced by such aggressive foreground masking by, for example, exploring a two-step masking and in-painting algorithm.

Snowmass Energy Frontier Simulations using the Open Science Grid (A Snowmass 2013 whitepaper)

Snowmass is a US long-term planning study for the high-energy community by the American Physical Societys Division of Particles and Fields. For its simulation studies, opportunistic resources are harnessed using the Open Science Grid infrastructure. Late binding grid technology, GlideinWMS, was used for distributed scheduling of the simulation jobs across many sites mainly in the US. The pilot infrastructure also uses the Parrot mechanism to dynamically access CvmFS in order to ascertain a homogeneous environment across the nodes. This report presents the resource usage and the storage model used for simulating large statistics Standard Model backgrounds needed for Snowmass Energy Frontier studies.

Band structures and intruder $pi$$i_{13/2}$ state in $^{197}$Tl

The excited states in the odd-$A$ $^{197}$Tl nucleus have been studied by populating them using the $^{197}$Au($alpha$, 4$n$)$^{197}$Tl reaction at the beam energy of 48 MeV. The $gamma-gamma$ coincidence data were taken using a combination of clover, LEPS and single crystal HPGe detectors. Precise spin and parity assignments of the excited states have been done through the polarization and the DCO measurements. A new band structure has been identified and the evidence for a possible intruder $pi i_{13/2}$ state has been found for the first time. Possible configurations of the observed bands have been discussed. The total Routhian surface calculations have been performed to study the shape of $^{197}$Tl for different configurations.

A measurement of the secondary-CMB and millimeter-wave-foreground bispectrum using 800 square degrees of South Pole Telescope data

We present a measurement of the angular bispectrum of the millimeter-wave sky in observing bands centered at roughly 95, 150, and 220 GHz, on angular scales of $1^prime lesssim theta lesssim 10^prime$ (multipole number $1000 lesssim l lesssim 10000$). At these frequencies and angular scales, the main contributions to the bispectrum are expected to be the thermal Sunyaev-Zeldovich (tSZ) effect and emission from extragalactic sources, predominantly dusty, star-forming galaxies (DSFGs) and active galactic nuclei. We measure the bispectrum in 800 $mathrm{deg}^2$ of three-band South Pole Telescope data, and we use a multi-frequency fitting procedure to separate the bispectrum of the tSZ effect from the extragalactic source contribution. We simultaneously detect the bispectrum of the tSZ effect at $>$10$sigma$, the unclustered component of the extragalactic source bispectrum at $>$5$sigma$ in each frequency band, and the bispectrum due to the clustering of DSFGs---i.e., the clustered cosmic infrared background (CIB) bispectrum---at $>$5$sigma$. This is the first reported detection of the clustered CIB bispectrum. We use the measured tSZ bispectrum amplitude, compared to model predictions, to constrain the normalization of the matter power spectrum to be $sigma_8 = 0.787 pm 0.031$ and to predict the amplitude of the tSZ power spectrum at $l = 3000$. This prediction improves our ability to separate the thermal and kinematic contributions to the total SZ power spectrum. The addition of bispectrum data improves our constraint on the tSZ power spectrum amplitude by a factor of two compared to power spectrum measurements alone and demonstrates a preference for a nonzero kinematic SZ (kSZ) power spectrum, with a derived constraint on the kSZ amplitude at $l=3000$ of A_kSZ $ = 2.9 pm 1.6 mu$K$^2$, or A_kSZ $ = 2.6 pm 1.8 mu$K$^2$ if the default A_kSZ > 0 prior is removed.

Band gap engineering by functionalization of BN sheet

From first principles calculations, we investigate the stability and physical properties of single layer h-BN sheet chemically functionalized by various groups viz. H, F, OH, CH3, CHO, CN, NH2 etc. We find that full functionalization of h-BN sheet with these groups lead to decrease in its electronic band gap, albeit to different magnitudes varying from 0.3 eV to 3.1 eV, depending upon the dopant group. Functionalization by CHO group, in particular, leads to a sharp decrease in the electronic band gap of the pristine BN sheet to ~ 0.3 eV, which is congenial for its usage in transistor based devices. The phonon calculations on these sheets show that frequencies corresponding to all their vibrational modes are real (positive), thereby suggesting their inherent stability. The chemisorption energies of these groups to the B and N atoms of the sheet are found to lie in the range of 1.5 -6 eV.

Strain induced band gap deformation of H/F passivated graphene and h-BN sheet

Strain induced band gap deformations of hydrogenated/fluorinated graphene and hexagonal BN sheet have been investigated using first principles density functional calculations. Within harmonic approximation, the deformation is found to be higher for hydrogenated systems than for the fluorinated systems. Interestingly, our calculated band gap deformation for hydrogenated/fluorinated graphene and BN sheets are positive, while those for pristine graphene and BN sheet are found to be negative. This is due to the strong overlap between nearest neighbor {pi} orbitals in the pristine sheets, that is absent in the passivated systems. We also estimate the intrinsic strength of these materials under harmonic uniaxial strain, and find that the in-plane stiffness of fluorinated and hydrogenated graphene are close, but larger in magnitude as compared to those of fluorinated and hydrogenated BN sheet.