939 research outputs found
Combining nano-silicon with oxide glass in anodes for Li-ion batteries
Vanadium-tellurite glasses (VT) have emerged as promising anode materials for lithium-ion batteries (LIBs). Despite this, the Li-ion storage capacity of the VT glass anode is still insufficient to meet the demands for the next generation of advanced LIBs. Silicon (Si) anode has ultrahigh theoretical capacity but suffers from significant volume expansion during lithiation and delithiation. In this work, we combined Si nanoparticles with VT glass to prepare Si@VT composite anode for LIBs. The composite was produced through heat-treatment at different temperatures, some of which were hot-pressed under the isostatic pressure of 100 MPa. The Si@VT composite exhibited a synergistic effect that integrated the strengths of both VT glass and Si, resulting in a substantial enhancement of its electrochemical performance. The systematic characterizations of the composite-based anodes revealed the optimal conditions for fabricating the high-performance Si@VT composite: a silicon fraction of 10 wt% and a hot-pressing temperature of 620 K. This composite stood out as the optimal choice, exhibiting a capacity of 353 mA h g−1 at 1 A g−1 after 1000 cycles. This capacity surpasses that of VT glass anode by over threefold and that of pure Si anode by twelvefold.</p
Iron isotope compositions of coexisting sulfide and silicate minerals in Sudbury-type ores from the Jinchuan Ni-Cu- sulfide deposit: A perspective on possible core-mantle iron isotope fractionation
Many studies have shown that the average iron (Fe) isotope compositions of mantle-derived rocks, mantle peridotite and model mantle are close to those of chondrites. Therefore, it is considered that chondrite values represent the bulk Earth Fe isotope composition. However, this is a brave assumption because nearly 90% Fe of the earth is in the core, whose Fe isotope composition is unknown, but is required to construct bulk earth Fe isotope composition. We approach the problem by assuming that the earth’s core separation can be approximated in terms of the Sudbury-type Ni-Cu sulfide mineralization, where sulfide-saturated mafic magmas segregate into immiscible sulfide liquid and silicate liquid. Their density/buoyancy controlled stratification and solidification produced net-textured ores above massive ores and below disseminated ores. The coexisting sulfide minerals (pyrrhotite (Po) > pentlandite (Pn) > chalcopyrite (Cp)) and silicate minerals (olivine (Ol) > orthopyroxene (Opx) > clinopyroxene (Cpx)) are expected to hold messages on Fe isotope fractionation between the two liquids before their solidification. We studied the net-textured ores of the Sudbury-type Jinchuan Ni-Cu sulfide deposit. The sulfide minerals show varying δ56Fe values (-1.37 ~ -0.74‰ (Po) < 0.09 ~ 0.56‰ (Cp) < 0.53 ~ 1.05‰ (Pn), but silicate minerals (Ol, Opx, Cpx) have δ56Fe values close to chondrites (δ56Fe = -0.01±0.01‰). The heavy δ56Fe value (0.52 ~ 0.60‰) of serpentines may reflect Fe isotopes exchange with the coexisting pyrrhotite with light δ56Fe. We ob- tained an equilibrium fractionation factor of Δ56Fesilicate-sulfide = ~ 0.51‰ between reconstructed silicate liquid (δ56Fe = ~ 0.21‰) and sulfide liquid (δ56Fe = ~ -0.30‰), or Δ56Fesilicate-sulfide = ~ 0.36‰ between the weighted mean bulk-silicate minerals (δ56Fe[0.70ol,0.25opx,0.05cpx] = 0.06‰) with weighted mean bulk- sulfide minerals (δ56Fe = ~ -0.30‰). Our study indicates that significant Fe isotope fractionation does take place between silicate and sulfide liquids during the Sudbury-type sulfide mineralization. We hypothesize that significant iron isotope fractionation must have taken place during core-mantle segregation, and the bulk earth may have lighter Fe isotope composition than chondrites although Fe isotope analysis on experimental sulfide-silicate liquids produced under the varying mantle depth conditions is needed to test our results. We advocate the importance of further research on the subject. Given the close Fe-Ni association in the magmatic mineralization and the majority of Earth’s Ni is also in the core, we infer that Ni isotope fractionation must also have taken place during the core separation that needs attention
Towards Reliable Automatic Protein Structure Alignment
A variety of methods have been proposed for structure similarity calculation,
which are called structure alignment or superposition. One major shortcoming in
current structure alignment algorithms is in their inherent design, which is
based on local structure similarity. In this work, we propose a method to
incorporate global information in obtaining optimal alignments and
superpositions. Our method, when applied to optimizing the TM-score and the GDT
score, produces significantly better results than current state-of-the-art
protein structure alignment tools. Specifically, if the highest TM-score found
by TMalign is lower than (0.6) and the highest TM-score found by one of the
tested methods is higher than (0.5), there is a probability of (42%) that
TMalign failed to find TM-scores higher than (0.5), while the same probability
is reduced to (2%) if our method is used. This could significantly improve the
accuracy of fold detection if the cutoff TM-score of (0.5) is used.
In addition, existing structure alignment algorithms focus on structure
similarity alone and simply ignore other important similarities, such as
sequence similarity. Our approach has the capacity to incorporate multiple
similarities into the scoring function. Results show that sequence similarity
aids in finding high quality protein structure alignments that are more
consistent with eye-examined alignments in HOMSTRAD. Even when structure
similarity itself fails to find alignments with any consistency with
eye-examined alignments, our method remains capable of finding alignments
highly similar to, or even identical to, eye-examined alignments.Comment: Peer-reviewed and presented as part of the 13th Workshop on
Algorithms in Bioinformatics (WABI2013
Spinodal Decomposition in a Binary Polymer Mixture: Dynamic Self Consistent Field Theory and Monte Carlo Simulations
We investigate how the dynamics of a single chain influences the kinetics of
early stage phase separation in a symmetric binary polymer mixture. We consider
quenches from the disordered phase into the region of spinodal instability. On
a mean field level we approach this problem with two methods: a dynamical
extension of the self consistent field theory for Gaussian chains, with the
density variables evolving in time, and the method of the external potential
dynamics where the effective external fields are propagated in time. Different
wave vector dependencies of the kinetic coefficient are taken into account.
These early stages of spinodal decomposition are also studied through Monte
Carlo simulations employing the bond fluctuation model that maps the chains --
in our case with 64 effective segments -- on a coarse grained lattice. The
results obtained through self consistent field calculations and Monte Carlo
simulations can be compared because the time, length, and temperature scales
are mapped onto each other through the diffusion constant, the chain extension,
and the energy of mixing. The quantitative comparison of the relaxation rate of
the global structure factor shows that a kinetic coefficient according to the
Rouse model gives a much better agreement than a local, i.e. wave vector
independent, kinetic factor. Including fluctuations in the self consistent
field calculations leads to a shorter time span of spinodal behaviour and a
reduction of the relaxation rate for smaller wave vectors and prevents the
relaxation rate from becoming negative for larger values of the wave vector.
This is also in agreement with the simulation results.Comment: Phys.Rev.E in prin
Magnetic enhancement of CoZnFeO spinel oxide by mechanical milling
We report the magnetic properties of mechanically milled
CoZnFeO spinel oxide. After 24 hours milling of the
bulk sample, the XRD spectra show nanostructure with average particle size
20 nm. The as milled sample shows an enhancement in magnetization and
ordering temperature compared to the bulk sample. If the as milled sample is
annealed at different temperatures for the same duration, recrystallization
process occurs and approaches to the bulk structure on increasing the annealing
temperatures. The magnetization of the annealed samples first increases and
then decreases. At higher annealing temperature ( 1000C) the system
shows two coexisting magnetic phases {\it i.e.}, spin glass state and
ferrimagnetic state, similar to the as prepared bulk sample. The room
temperature M\"{o}ssbauer spectra of the as milled sample, annealed at
300C for different durations (upto 575 hours), suggest that the observed
change in magnetic behaviour is strongly related with cations redistribution
between tetrahedral (A) and octahedral (O) sites in the spinel structure. Apart
from the cation redistribution, we suggest that the enhancement of
magnetization and ordering temperature is related with the reduction of B site
spin canting and increase of strain induced anisotropic energy during
mechanical milling.Comment: 14 pages LaTeX, 10 ps figure
Electrical transport studies of quench condensed Bi films at the initial stage of film growth: Structural transition and the possible formation of electron droplets
The electrical transport properties of amorphous Bi films prepared by
sequential quench deposition have been studied in situ. A
superconductor-insulator (S-I) transition was observed as the film was made
increasingly thicker, consistent with previous studies. Unexpected behavior was
found at the initial stage of film growth, a regime not explored in detail
prior to the present work. As the temperature was lowered, a positive
temperature coefficient of resistance (dR/dT > 0) emerged, with the resistance
reaching a minimum before the dR/dT became negative again. This behavior was
accompanied by a non-linear and asymmetric I-V characteristic. As the film
became thicker, conventional variable-range hopping (VRH) was recovered. We
attribute the observed crossover in the electrical transport properties to an
amorphous to granular structural transition. The positive dR/dT found in the
amorphous phase of Bi formed at the initial stage of film growth was
qualitatively explained by the formation of metallic droplets within the
electron glass.Comment: 7 pages, 6 figure
BESII Detector Simulation
A Monte Carlo program based on Geant3 has been developed for BESII detector
simulation. The organization of the program is outlined, and the digitization
procedure for simulating the response of various sub-detectors is described.
Comparisons with data show that the performance of the program is generally
satisfactory.Comment: 17 pages, 14 figures, uses elsart.cls, to be submitted to NIM
Direct Measurements of the Branching Fractions for and and Determinations of the Form Factors and
The absolute branching fractions for the decays and
are determined using singly
tagged sample from the data collected around 3.773 GeV with the
BES-II detector at the BEPC. In the system recoiling against the singly tagged
meson, events for and events for decays are observed. Those yield
the absolute branching fractions to be and . The
vector form factors are determined to be
and . The ratio of the two form
factors is measured to be .Comment: 6 pages, 5 figure
A global spectral library to characterize the world's soil
Soil provides ecosystem services, supports human health and habitation, stores carbon and regulates emissions of greenhouse gases. Unprecedented pressures on soil from degradation and urbanization are threatening agro-ecological balances and food security. It is important that we learn more about soil to sustainably manage and preserve it for future generations. To this end, we developed and analyzed a global soil visible-near infrared (vis-NIR) spectral library. It is currently the largest and most diverse database of its kind. We show that the information encoded in the spectra can describe soil composition and be associated to land cover and its global geographic distribution, which acts as a surrogate for global climate variability. We also show the usefulness of the global spectra for predicting soil attributes such as soil organic and inorganic carbon, clay, silt, sand and iron contents, cation exchange capacity, and pH. Using wavelets to treat the spectra, which were recorded in different laboratories using different spectrometers and methods, helped to improve the spectroscopic modelling. We found that modelling a diverse set of spectra with a machine learning algorithm can find the local relationships in the data to produce accurate predictions of soil properties. The spectroscopic models that we derived are parsimonious and robust, and using them we derived a harmonized global soil attribute dataset, which might serve to facilitate research on soil at the global scale. This spectroscopic approach should help to deal with the shortage of data on soil to better understand it and to meet the growing demand for information to assess and monitor soil at scales ranging from regional to global. New contributions to the library are encouraged so that this work and our collaboration might progress to develop a dynamic and easily updatable database with better global coverage. We hope that this work will reinvigorate our community's discussion towards larger, more coordinated collaborations. We also hope that use of the database will deepen our understanding of soil so that we might sustainably manage it and extend the research outcomes of the soil, earth and environmental sciences towards applications that we have not yet dreamed of
Study of J/psi decays to Lambda Lambdabar and Sigma0 Sigma0bar
The branching ratios and Angular distributions for J/psi decays to Lambda
Lambdabar and Sigma0 Sigma0bar are measured using BESII 58 million J/psi.Comment: 11 pages, 5 figure
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