The influence of compact and ordered carbon coating on solid-state behaviors of silicon during electrochemical processes

To address the issues of large volume change and low conductivity of silicon (Si) materials, carbon coatings have been widely employed as surface protection agent and conductive medium to encapsulate the Si materials, which can improve the electrochemical performance of Si-based electrodes. There has been a strong demand to gain a deeper understanding of the impact of efficient carbon coating over the lithiation and delithiation process of Si materials. Here, we report the first observation of the extended two-phase transformation of carbon-coated Si nanoparticles (Si/C) during electrochemical processes. The Si/C nanoparticles were prepared by sintering Si nanoparticles with polyvinylidene chloride precursor. The Si/C electrode underwent a two-phase transition during the first 20 cycles at 0.2 C, but started to engage in solid solution reaction when the ordered compact carbon coating began to crack. Under higher current density conditions, the electrode was also found to be involved in solid solution reaction, which, however, was due to the overwhelming demand of kinetic property rather than the breaking of the carbon coating. In comparison, the Si/C composites prepared with sucrose possessed more disordered and porous carbon structures, and presented solid solution reaction throughout the entire cycling process

Distortion of genealogical properties when the sample is very large

Study sample sizes in human genetics are growing rapidly, and in due course it will become routine to analyze samples with hundreds of thousands if not millions of individuals. In addition to posing computational challenges, such large sample sizes call for carefully re-examining the theoretical foundation underlying commonly-used analytical tools. Here, we study the accuracy of the coalescent, a central model for studying the ancestry of a sample of individuals. The coalescent arises as a limit of a large class of random mating models and it is an accurate approximation to the original model provided that the population size is sufficiently larger than the sample size. We develop a method for performing exact computation in the discrete-time Wright-Fisher (DTWF) model and compare several key genealogical quantities of interest with the coalescent predictions. For realistic demographic scenarios, we find that there are a significant number of multiple- and simultaneous-merger events under the DTWF model, which are absent in the coalescent by construction. Furthermore, for large sample sizes, there are noticeable differences in the expected number of rare variants between the coalescent and the DTWF model. To balance the tradeoff between accuracy and computational efficiency, we propose a hybrid algorithm that utilizes the DTWF model for the recent past and the coalescent for the more distant past. Our results demonstrate that the hybrid method with only a handful of generations of the DTWF model leads to a frequency spectrum that is quite close to the prediction of the full DTWF model.Comment: 27 pages, 2 tables, 14 figure

Massive star evolution in close binaries:conditions for homogeneous chemical evolution

We investigate the impact of tidal interactions, before any mass transfer, on various properties of the stellar models. We study the conditions for obtaining homogeneous evolution triggered by tidal interactions, and for avoiding any Roche lobe overflow during the Main-Sequence phase. We consider the case of rotating stars computed with a strong coupling mediated by an interior magnetic field. In models without any tidal interaction (single stars and wide binaries), homogeneous evolution in solid body rotating models is obtained when two conditions are realized: the initial rotation must be high enough, the loss of angular momentum by stellar winds should be modest. This last point favors metal-poor fast rotating stars. In models with tidal interactions, homogeneous evolution is obtained when rotation imposed by synchronization is high enough (typically a time-averaged surface velocities during the Main-Sequence phase above 250 km s$^{-1}$), whatever the mass losses. In close binaries, mixing is stronger at higher than at lower metallicities. Homogeneous evolution is thus favored at higher metallicities. Roche lobe overflow avoidance is favored at lower metallicities due to the fact that stars with less metals remain more compact. We study also the impact of different processes for the angular momentum transport on the surface abundances and velocities in single and close binaries. In models where strong internal coupling is assumed, strong surface enrichments are always associated to high surface velocities in binary or single star models. In contrast, models computed with mild coupling may produce strong surface enrichments associated to low surface velocities. Close binary models may be of interest for explaining homogeneous massive stars, fast rotating Wolf-Rayet stars, and progenitors of long soft gamma ray bursts, even at high metallicities.Comment: 21 pages, 13 figures, 3 tables, accepted for publication in Astronomy and Astrophysic

Partitioning technique for a discrete quantum system

We develop the partitioning technique for quantum discrete systems. The graph consists of several subgraphs: a central graph and several branch graphs, with each branch graph being rooted by an individual node on the central one. We show that the effective Hamiltonian on the central graph can be constructed by adding additional potentials on the branch-root nodes, which generates the same result as does the the original Hamiltonian on the entire graph. Exactly solvable models are presented to demonstrate the main points of this paper.Comment: 7 pages, 2 figure