Unquenched Charmonium with NRQCD - Lattice 2000

We present results from a series of NRQCD simulations of the charmonium system, both in the quenched approximation and with n_f = 2 dynamical quarks. The spectra show evidence for quenching effects of ~10% in the S- and P-hyperfine splittings. We compare this with other systematic effects. Improving the NRQCD evolution equation altered the S-hyperfine by as much as 20 MeV, and we estimate radiative corrections may be as large as 40%.Comment: Lattice 2000 (Heavy Quark Physics

In situ radiographic investigation of de lithiation mechanisms in a tin electrode lithium ion battery.

The lithiation and delithiation mechanisms of multiple Sn particles in a customized flat radiography cell were investigated by in amp; 8197;situ synchrotron radiography. For the first time, four de lithiation phenomena in a Sn electrode battery system are highlighted 1 amp; 8197;the de lithiation behavior varies between different Sn particles, 2 amp; 8197;the time required to lithiate individual Sn particles is markedly different from the time needed to discharge the complete battery, 3 amp; 8197;electrochemical deactivation of originally electrochemically active particles is reported, and 4 amp; 8197;a change of electrochemical behavior of individual particles during cycling is found and explained by dynamic changes of de lithiation pathways amongst particles within the electrode. These unexpected findings fundamentaly expand the understanding of the underlying de lithiation mechanisms inside commercial lithium ion batteries LIBs and would open new design principles for high performance next generation LIB

Heavy Quarks on Anisotropic Lattices: The Charmonium Spectrum

We present results for the mass spectrum of $c{\bar c}$ mesons simulated on anisotropic lattices where the temporal spacing $a_t$ is only half of the spatial spacing $a_s$. The lattice QCD action is the Wilson gauge action plus the clover-improved Wilson fermion action. The two clover coefficients on an anisotropic lattice are estimated using mean links in Landau gauge. The bare velocity of light $\nu_t$ has been tuned to keep the anisotropic, heavy-quark Wilson action relativistic. Local meson operators and three box sources are used in obtaining clear statistics for the lowest lying and first excited charmonium states of $^1S_0$, $^3S_1$, $^1P_1$, $^3P_0$ and $^3P_1$. The continuum limit is discussed by extrapolating from quenched simulations at four lattice spacings in the range 0.1 - 0.3 fm. Results are compared with the observed values in nature and other lattice approaches. Finite volume effects and dispersion relations are checked.Comment: 36 pages, 6 figur

Editors’ choice—4D neutron and X-ray tomography studies of high energy density primary batteries: Part II. multi-modal microscopy of LiSOCl2 cells

The ability to track electrode degradation, both spatially and temporally, is fundamental to understand performance loss during operation of lithium batteries. X-ray computed tomography can be used to follow structural and morphological changes in electrodes; however, the direct detection of electrochemical processes related to metallic lithium is difficult due to the low sensitivity to the element. In this work, 4-dimensional neutron computed tomography, which shows high contrast for lithium, is used to directly quantify the lithium diffusion process in spirally wound Li/SOCl$_{2}$ primary cells. The neutron dataset enables the quantification of the lithium transport from the anode and the accumulation inside the SOCl$_{2}$ cathode to be locally resolved. Complementarity between the collected neutron and X-ray computed tomographies is shown and by applying both methods in concert we have observed lithium diffusion blocking by the LiCl protection layer and identified all cell components which are difficult to distinguish using one of the methods alone

Performance of a sustainable asphalt mix incorporating high RAP content and novel bio-derived binder

The recent drive to find ways to increase sustainability and decrease costs in asphalt paving has led researchers to find innovative ways to incorporate more recycled materials and bio-derived binders into mixes with varying success. A new novel bio-derived binder made from refined pine chemistry stabilised with a polymer can increase the sustainability of asphalt mixes while maintaining pavement performance. Laboratory performance testing was conducted on asphalt mixes containing 50% Reclaimed Asphalt Pavement (RAP) by mix weight and the novel bio-derived binder. Results show that the bio-derived binder outperforms the conventional 50/70 pen grade binder mixes with respect to resistance to thermal cracking and adequately passes all requirements for pavements with 20-year design loadings of less than 30 million ESALs. This research shows that asphalt mixes containing 50% RAP and a bio-derived binder can be designed to pass performance criteria at low, intermediate, and high temperatures without the need of neat bitumen

Tadpole renormalization and relativistic corrections in lattice NRQCD

We make a comparison of two tadpole renormalization schemes in the context of the quarkonium hyperfine splittings in lattice NRQCD. Improved gauge-field and NRQCD actions are analyzed using the mean-link $u_{0,L}$ in Landau gauge, and using the fourth root of the average plaquette $u_{0,P}$. Simulations are done for $c\bar c$, $b\bar c$, and $b\bar b$ systems. The hyperfine splittings are computed both at leading and at next-to-leading order in the relativistic expansion. Results are obtained at lattice spacings in the range of about 0.14~fm to 0.38~fm. A number of features emerge, all of which favor tadpole renormalization using $u_{0,L}$. This includes much better scaling behavior of the hyperfine splittings in the three quarkonium systems when $u_{0,L}$ is used. We also find that relativistic corrections to the spin splittings are smaller when $u_{0,L}$ is used, particularly for the $c\bar c$ and $b\bar c$ systems. We also see signs of a breakdown in the NRQCD expansion when the bare quark mass falls below about one in lattice units. Simulations with $u_{0,L}$ also appear to be better behaved in this context: the bare quark masses turn out to be larger when $u_{0,L}$ is used, compared to when $u_{0,P}$ is used on lattices with comparable spacings. These results also demonstrate the need to go beyond tree-level tadpole improvement for precision simulations.Comment: 14 pages, 7 figures (minor changes to some phraseology and references

Comparison Studies of Finite Momentum Correlators on Anisotropic and Isotropic Lattices

We study hadronic two- and three-point correlators relevant for heavy to light pseudoscalar meson semi-leptonic decays, using Symanzik improved glue, D234 light quark and NRQCD heavy quark actions. Detailed comparisons are made between simulations on anisotropic and isotropic lattices involving finite momentum hadrons. We find evidence that having an anisotropy helps in extracting better signals at higher momenta. Initial results for the form factors f_+(q^2) and f_0(q^2) are presented with tree-level matching of the lattice heavy-light currents.Comment: 43 pages with 50 postscript figure

Yeast two-hybrid junk sequences contain selected linear motifs

Yeast two-hybrid (Y2H) screenings result in identification of many out-of-frame (OOF) clones that code for short (2-100 amino acids) peptides with no sequence homology to known proteins. We hypothesize that these peptides can reveal common short linear motifs (SLiMs) responsible for their selection. We present a new protocol to address this issue, using an existing SLIM detector (TEIRESIAS) as a base method, and applying filters derived from a mathematical model of SLiM selection in OOF clones. The model allows for initial analysis of likely presence of SLiM(s) in a collection of OOF sequences, assisting investigators with the decision of whether to invest resources in further analysis. If SLiM presence is detected, it estimates the length and number of amino acid residues involved in binding specificity and the amount of noise in the Y2H screen. We demonstrate that our model can double the prediction sensitivity of TEIRESIAS and improve its specificity from 0 to 1.0 on simulated data and apply the model to seven sets of experimentally derived OOF clones. Finally, we experimentally validate one SLiM found by our method, demonstrating its utility

Torsion of a rectangular bar Complex phase distribution in 304L steel revealed by neutron tomography

Metastable austenitic stainless steel 304L samples with a rectangular cross section were plastically deformed in torsion during which they experienced multiaxial stresses that led to a complex martensitic phase distribution owing to the transformation induced plasticity effect. A three dimensional characterization of the phase distributions in these cm sized samples was carried out by wavelength selective neutron tomography. It was found that quantitatively correct results are obtained as long as the samples do not exhibit any considerable preferential grain orientation. Optical microscopy, electron backscatter diffraction, and finite element modeling were used to verify and explain the results obtained by neutron tomography. Altogether, neutron tomography was shown to extend the range of microstructure characterization methods towards the meso and macroscal

Graph-based simulated annealing: a hybrid approach to stochastic modeling of complex microstructures

A stochastic model is proposed for the efficient simulation of complex three-dimensional microstructures consisting of two different phases. The model is based on a hybrid approach, where in a first step a graph model is developed using ideas from stochastic geometry. Subsequently, the microstructure model is built by applying simulated annealing to the graph model. As an example of application, the model is fitted to a tomographic image describing the microstructure of electrodes in Li-ion batteries. The goodness of model fit is validated by comparing morphological characteristics of experimental and simulated data