Semi-Numerical Simulation of Reionization with Semi-Analytical Modeling of Galaxy Formation

In a semi-numerical model of reionization, the evolution of ionization fraction is simulated approximately by the ionizing photon to baryon ratio criterion. In this paper we incorporate a semi-analytical model of galaxy formation based on the Millennium II N-body simulation into the semi-numerical modeling of reionization. The semi-analytical model is used to predict the production of ionizing photons, then we use the semi-numerical method to model the reionization process. Such an approach allows more detailed modeling of the reionization, and also connects observations of galaxies at low and high redshifts to the reionization history. The galaxy formation model we use was designed to match the low-$z$ observations, and it also fits the high redshift luminosity function reasonably well, but its prediction on the star formation falls below the observed value, and we find that it also underpredicts the stellar ionizing photon production rate, hence the reionization can not be completed at $z \sim 6$ without taking into account some other potential sources of ionization photons. We also considered simple modifications of the model with more top heavy initial mass functions (IMF), with which the reionization can occur at earlier epochs. The incorporation of the semi-analytical model may also affect the topology of the HI regions during the EoR, and the neutral regions produced by our simulations with the semi-analytical model appeared less poriferous than the simple halo-based models.Comment: 13 pages, 8 figures, RAA accepte

Positive temperature-dependent thermal conductivity induced by wavelike phonons in complex Ag-based argyrodites

The phonon transport mechanisms and the anomalous temperature-dependent lattice thermal conductivities (kL) in Ag-based argyrodites have not been fully understood. Herein, we systematically study the phonon thermal transport of five Ag-based crystalline argyrodites Ag7PS6, Ag7AsS6, Ag8SnS6, Ag8GeS6 and Ag9GaS6 utilizing perturbation theory and the unified theory thermal transport model. Our results show that, as the complexity of the unit cell increases, the proportion of the population terms falls while the coherence contributions become more significant, leading to the relatively weak temperature-dependent kL of Ag7PS6 and Ag7AsS6, while the more complex crystalline argyrodites, Ag8SnS6, Ag8GeS6 and Ag9GaS6, exhibiting a glass-like behavior in their temperature dependence of kL. We attribute the positive temperature-dependent and ultralow kL of Ag8SnS6, Ag8GeS6 and Ag9GaS6 to the dominance of wavelike phonons and the strong phonon broadening. Furthermore, using laser flash measurements and the homogeneous non-equilibrium molecular dynamics simulations based on accurate machine learning neuroevolution potentials, we provide further evidence for the glass-like temperature-dependent kL of Ag8SnS6 and Ag8GeS6.Comment: 6 pages, 4 figure

Evaluating Performance of Different RNA Secondary Structure Prediction Programs Using Self-cleaving Ribozymes

Accurate identification of the correct, biologically relevant RNA structures is critical to understanding various aspects of RNA biology since proper folding represents the key to the functionality of all types of RNA molecules and plays pivotal roles in many essential biological processes. Thus, a plethora of approaches have been developed to predict, identify, or solve RNA structures based on various computational, molecular, genetic, chemical, or physicochemical strategies. Purely computational approaches hold distinct advantages over all other strategies in terms of the ease of implementation, time, speed, cost, and throughput, but they strongly underperform in terms of accuracy that significantly limits their broader application. Nonetheless, the advantages of these methods led to a steady development of multiple in silico RNA secondary structure prediction approaches including recent deep learning-based programs. Here, we compared the accuracy of predictions of biologically relevant secondary structures of dozens of self-cleaving ribozyme sequences using seven in silico RNA folding prediction tools with tasks of varying complexity. We found that while many programs performed well in relatively simple tasks, their performance varied significantly in more complex RNA folding problems. However, in general, a modern deep learning method outperformed the other programs in the complex tasks in predicting the RNA secondary structures, at least based on the specific class of sequences tested, suggesting that it may represent the future of RNA structure prediction algorithms

Unveiling the Roles of Binder in the Mechanical Integrity of Electrodes for Lithium-Ion Batteries

In lithium-ion secondary batteries research, binders have received the least attention, although the electrochemical performance of Li-ion batteries such as specific capacity and cycle life cannot be achieved if the adhesion strengths between electrode particles and between electrode films and current collectors are insufficient to endure charge-discharge cycling. In this paper, the roles of binders in the mechanical integrity of electrodes for lithium-ion batteries were studied by coupled microscratch and digital image correlation (DIC) techniques. A microscratch based composite model was developed to decouple the carbon particle/particle cohesion strength from the electrode-film/copper-current-collector adhesion strength. The dependences of microscratch coefficient of friction and the critical delamination load on the PVDF binder content suggest that the strength of different interfaces is ranked as follows: Cu/PVDF \u3c carbon-particle/PVDF \u3c PVDF/PVDF. The particle/particle cohesion strength increases while electrode-film/current-collector adhesion strength decreases with increasing PVDF binder content (up to 20% of binder). The electrolyte soaking-and-drying process leads to an increase in particle/particle cohesion but a decrease in electrode-film/copper-current-collector adhesion. Finally, the methodology developed here can provide new guidelines for binder selection and electrode design and lay a constitutive foundation for modeling the mechanical properties and performance of the porous electrodes in lithium-ion batteries

Local-to-Global Registration for Bundle-Adjusting Neural Radiance Fields

Neural Radiance Fields (NeRF) have achieved photorealistic novel views synthesis; however, the requirement of accurate camera poses limits its application. Despite analysis-by-synthesis extensions for jointly learning neural 3D representations and registering camera frames exist, they are susceptible to suboptimal solutions if poorly initialized. We propose L2G-NeRF, a Local-to-Global registration method for bundle-adjusting Neural Radiance Fields: first, a pixel-wise flexible alignment, followed by a frame-wise constrained parametric alignment. Pixel-wise local alignment is learned in an unsupervised way via a deep network which optimizes photometric reconstruction errors. Frame-wise global alignment is performed using differentiable parameter estimation solvers on the pixel-wise correspondences to find a global transformation. Experiments on synthetic and real-world data show that our method outperforms the current state-of-the-art in terms of high-fidelity reconstruction and resolving large camera pose misalignment. Our module is an easy-to-use plugin that can be applied to NeRF variants and other neural field applications. The Code and supplementary materials are available at https://rover-xingyu.github.io/L2G-NeRF/.Comment: arXiv admin note: text overlap with arXiv:2104.06405 by other author

Tunable Sample-wide Electronic Kagome Lattice in Low-angle Twisted Bilayer Graphene

Overlaying two graphene layers with a small twist angle can create a moire superlattice to realize exotic phenomena that are entirely absent in graphene monolayer. A representative example is the predicted formation of localized pseudo-Landau levels (PLLs) with Kagome lattice in tiny-angle twisted bilayer graphene (TBG) with theta < 0.3 deg when the graphene layers are subjected to different electrostatic potentials. However, this was shown only for the model of rigidly rotated TBG which is not realized in reality due to an interfacial structural reconstruction. It is believed that the interfacial structural reconstruction strongly inhibits the formation of the PLLs. Here, we systematically study electronic properties of the TBG with 0.075 deg < theta < 1.2 deg and demonstrate, unexpectedly, that the PLLs are quite robust for all the studied TBG. The structural reconstruction suppresses the formation of the emergent Kagome lattice in the tiny-angle TBG. However, for the TBG around magic angle, the sample-wide electronic Kagome lattices with tunable lattice constants are directly imaged by using scanning tunneling microscope. Our observations open a new direction to explore exotic correlated phases in moire systems.Comment: 4 figures in main text. PRL in pres

Probing the Roles of Polymeric Separators in Lithium-Ion Battery Capacity Fade at Elevated Temperatures

The high temperature mechanical property of separators is very important for safety of lithium-ion batteries. However, the mechanical integrity of polymeric separators in lithium-ion batteries at elevated temperatures is still not well characterized. In this paper, the temperature dependent micro-scale morphology change of PP (polypropylene)-PE (polyethylene)-PP sandwiched separators (Celgard 2325) was studied by in-situ high temperature surface imaging using an atomic force microscope (AFM) coupled with power spectral density (PSD) analysis and digital image correlation (DIC) technique. Both PSD and DIC analysis results show that the PP phase significantly closes its pores by means of dilation of the nanofibrils surrounding the pores in the transverse direction and shrinkage in the machine direction, when cycled at 90◦C, even below the separator’s shutdown temperature (∼120◦C) and its own melting temperature (165◦C). This is presumably due to surface melting effect in nanostructures and should be size dependent–the surface melting temperature may decrease with the diameter of nanofibrils. Therefore, some pore closing might happen even at operating temperatures, it will lead to capacity fade that is undesired for battery performance