A checklist of the Auchenorrhyncha of Belarus: (Hemiptera, Fulgoromorpha et Cicadomorpha)

A checklist of the Auchenorrhyncha species of Belarus is provided, with data of their occurrence in geographic provinces, habitat and moisture preferences, life forms of food plants, and phenology. The list includes 331 species belonging to 10 families

Dynamic Structure Discovery Applied to the Ion Transport in the Ubiquitous Lithium-ion Battery Electrolyte LP30

The electrolytes of the today omnipresent lithium-ion batteries (LIBs) have for more than 25 years been based upon 1 M LiPF6 in a 50:50 EC:DMC mixture-commonly known as LP30. The success of the basic design of the LP30 electrolyte, with many variations and additions made over the years, is unchallenged. Yet, some molecular level fundamentals of LP30 are surprisingly elusive: the structure of the first solvation shell of the Li+ cation is still a topic of current debate; the details of the dynamics are not fully understood; the interpretation of structural and dynamic properties is highly dependent on the analysis methods used; the contributions by different species to the ion transport and the energetics involved are not established. We here apply dynamic structure discovery analysis as implemented in CHAMPION to molecular dynamics simulation trajectories to bring new light on the structure and dynamics within LP30 and especially the (Li+) ion transport to rationalize further development of LIB electrolytes

Nonflammable Lithium Metal Full Cells with Ultra-high Energy Density Based on Coordinated Carbonate Electrolytes

Coupling thin Li metal anodes with high-capacity/high-voltage cathodes such as LiNi0.8Co0.1Mn0.1O2 (NCM811) is a promising way to increase lithium battery energy density. Yet, the realization of high-performance full cells remains a formidable challenge. Here, we demonstrate a new class of highly coordinated, nonflammable carbonate electrolytes based on lithium bis(fluorosulfonyl)imide (UFSI) in propylene carbonate/fluoroethylene carbonate mixtures. Utilizing an optimal salt concentr ation (4 M LiFSI) of the electrolyte results in a unique coordination structure of Li+-FSI-solvent cluster, which is critical for enabling the formation of stable interfaces on both the thin Li metal anode and high-voltage NCM811 cathode. Under highly demanding cell configuration and operating conditions (Li metal anode = 35 mu m, areal capacity/charge voltage of NCM811 cathode = 4.8 mAh cm(-2)/4 .6 V, and anode excess capacity [relative to the cathode] = 0.83), the Li metal-based full cell provides exceptional electrochemical performance (energy densities = 679 Wh kg(cell)(-1)/1,024 Wh L-cell(-1)) coupled with nonflammability

Defect-induced fracture topologies in Al₂O₃ ceramic-graphene nanocomposites

Models of ceramic-graphene nanocomposites are used to study how the manufacturing process-dependent arrangement of reduced graphene oxide (rGO) inclusions governs nano-crack network development. The work builds upon recent studies of such composites where a novel combinatorial approach was used to investigate the effect of rGO arrangements on electrical conductivity and porosity. This approach considers explicitly the discrete structure of the composite and represents it as a collection of entities of different dimensions - grains, grain boundaries, triple junctions, and quadruple points. Here, the combinatorial approach is developed further by considering the effects of rGO agglomerations, stress concentrators and adhesion energies on intergranular cracking. The results show that the fracture networks can be effectively controlled by the local ordering of rGO inclusions to allow for a concurrent increase in the strength and conductivity of the ceramic composites. It is shown that the ratio of local stress concentrators related to rGO inclusions and cracks is the most significant factor affecting the nano-crack network topology. The local spatial arrangement of rGO inclusions becomes an effective tool for controlling nano-crack network topology only when this ratio approaches one. It is anticipated that these results will inform future design of toughness-enhanced composites

Discrete model for discontinuous dynamic recrystallisation applied to grain structure evolution inside adiabatic shear bands

Discontinuous dynamic recrystallisation (DDRX) is a well-known phenomenon playing a significant role in the high-temperature processing of metals, including industrial forming and severe plastic deformations. The ongoing discussion on the Zener–Hollomon (Z–H) parameter as a descriptor of materials’ propensity to DDRX and a measure of microstructure homogeneity leaves more questions than answers and prevents its practical application. Most of the existing DDRX models are continuous, and so the geometry and topology of real grain microstructures cannot be considered. The present study uses a fully discrete representation of polycrystalline aluminium alloys as 2D/3D Voronoi space tessellations corresponding to EBSD maps. Such tessellations are geometric realisations of combinatorial structures referred to as polytopal cell complexes. Combining discrete models with FEM LS-Dyna simulations of shock-wave propagation in AA1050 and AW5083 aluminium alloys makes it possible to estimate for the first time the contribution of DDRX to the final material microstructure inside adiabatic shear bands. It is shown that the increase of the initial fraction of high-angle grain boundaries, caused by preliminary deformation, significantly increases the spatial homogeneity and decreases the clustering of DDRX grains. The obtained results contradict the conventional assumption that the microstructures obtained by severe plastic deformation under quasi-static and dynamic deformation conditions are similar due to the similar value of the Z–H parameter: competition between the two recrystallisation mechanisms leads to almost unpredictable final grain structures inside share bands that require further comprehensive experimental studies. This agrees with experimental evidence for high material sensitivity to the Z–H parameter

Morphological reassessment of the movable calcar of delphacid planthoppers (Hemiptera: Fulgoromorpha: Delphacidae)

This study presents the morphology of calcar in adult Delphacidae based on representatives of the genera Ugyops Guérin-Meneville, 1834, Notuchus Fennah, 1969 (Ugyopini), Asiraca Latreille, 1798 (Asiracini), Kelisia Fieber, 1866, (Kelisini), Stenocranus Fieber, 1866 (Stenocranini), Chloriona Fieber, 1866, Megadelphax Wagner, 1963, Muellerianella Wagner, 1963, Javesella Fennah, 1963, Conomelus Fieber, 1866, Euconomelus Haupt, 1929, Hyledelphax Vilbaste, 1968, Stiroma Fieber, 1866, Struebingianella Wagner, 1963 and Xanthodelphax Wagner, 1963 (Delphacini). We used SEM electron microscopy, to define seven types of calcar structure (Types 1, 2, 5, 6, 7, 8, and 9) based on combinations of characters including shape, number of teeth and differentiation of sensory structures in species from fifteen genera. Additionally, two other types (Types 3 and 4) were determined based on the calcar descriptions from previous studies. Similarities and differences in calcar structure and function were discussed and emerging relationships between planthopper species and their particular habitats were indicated

Ab Initio Characterization of the Electrochemical Stability and Solvation Properties of Condensed-Phase Ethylene Carbonate and Dimethyl Carbonate Mixtures

A central challenge in the refinement of lithium-ion batteries is to control cathode-induced oxidative decomposition of electrolyte solvents, such as ethylene carbonate (EC) and dimethyl carbonate (DMC). We study the oxidation potentials of neat EC, neat DMC, and 1:1 mixtures of EC and DMC using the newly developed projection-based embedding method, which we demonstrate to be capable of correcting qualitative inaccuracies in the electronic densities and ionization energies obtained from conventional Kohn–Sham density functional theory (DFT) methods. Our wave function-in-DFT embedding approach enables accurate calculation of the vertical ionization energy (IE) of individual molecules at the CCSD(T) level of theory while explicitly accounting for the solvent using a combination of DFT and molecular mechanics interactions. We find that the ensemble-averaged distributions of vertical IEs are consistent with a linear response interpretation of the statistics of the solvent configurations, enabling determination of both the intrinsic oxidation potential of the solvents and the corresponding solvent reorganization energies. Interestingly, we reveal that large contributions to the solvation properties of DMC originate from quadrupolar interactions, resulting in a much larger solvent reorganization energy than that predicted using simple dielectric continuum models. Demonstration that the solvation properties of EC and DMC are governed by fundamentally different intermolecular interactions provides insight into key aspects of lithium-ion batteries, with relevance to electrolyte decomposition processes, solid–electrolyte interphase formation, and the local solvation environment of lithium cations

Investigation of Structure and Transport in Li-Doped Ionic Liquid Electrolytes: [pyr14][TFSI], [pyr13][FSI], [EMIM][BF4]

Ionic liquid electrolytes have been proposed as a means of improving the safety and cycling behavior of advanced lithium batteries; however, the properties of these electrolytes under high lithium doping are poorly understood. Here, we employ both polarizable molecular dynamics simulation and experiment to investigate the structure, thermodynamics and transport of three potential electrolytes, N-methyl-N-butylpyrrolidinium bis(trifluoromethylsufonyl)imide ([pyr14][TFSI]), N- methyl-N-propylpyrrolidinium bis(fluorosufonyl)imide ([pyr13][FSI]), and 1-ethyl-3-- methylimidazolium boron tetrafluoride ([EMIM][BF4]), as a function of Li (-) salt concentration and temperature. Structurally, Li(+) is shown to be solvated by three anion neighbors in [pyr14][TFSI] and four anion neighbors in both [pyr13][FSI] and [EMIM][BF4], and at all levels of xLi we find the presence of lithium aggregates. Furthermore, the computed density, diffusion, viscosity, and ionic conductivity show excellent agreement with experimental data. While the diffusion and viscosity exhibit a systematic decrease and increase, respectively, with increasing xLi, the contribution of Li(+) to ionic conductivity increases until reaching a saturation doping level of xLi 0.10. Comparatively, the Li(+) conductivity of [pyr14][TFSI] is an order of magnitude lower than that of the other liquids, which range between 0.1-0.3 mScm. The differences in Li(+) transport are reflected in the residence times of Li(+) with the anions, which are revealed to be much larger for [pyr14][TFSI] (up to 100 ns at the highest doping levels) than in either [EMIM][BF4] or [pyr13][FSI]. Finally, we comment on the relative kinetics of Li(+) transport in each liquid and we present strong evidence for transport through anion exchange (hopping) as opposed to the net motion of Li(+) with its solvation shell (vehicular)