Heterogeneous Ice Growth in Micron-Sized Water Droplets Due to Spontaneous Freezing

Understanding how ice nucleates and grows into larger crystals is of crucial importance for many research fields. The purpose of this study was to shed light on the phase and structure of ice once a nucleus is formed inside a metastable water droplet. Wide-angle X-ray scattering (WAXS) was performed on micron-sized droplets evaporatively cooled to temperatures where homogeneous nucleation occurs. We found that for our weak hits ice grows more cubic compared to the strong hits that are completely hexagonal. Due to efficient heat removal caused by evaporation, we propose that the cubicity of ice at the vicinity of the droplet’s surface is higher than for ice formed within the bulk of the droplet. Moreover, the Bragg peaks were classified based on their geometrical shapes and positions in reciprocal space, which showed that ice grows heterogeneously with a significant population of peaks indicative of truncation rods and crystal defects. Frequent occurrences of the (100) reflection with extended in-planar structure suggested that large planar ice crystals form at the droplet surface, then fracture into smaller domains to accommodate to the curvature of the droplets. Planar faulting due to misaligned domains would explain the increased cubicity close to the droplet surface.

B-factor accuracy in protein crystal structures

The accuracy of B factors in protein crystal structures has been determined by comparing the same atoms in numerous, independent crystal structures of Gallus gallus lysozyme. Both B-factor absolute differences and normal probability plots indicate that the estimated B-factor errors are quite large, close to 9 Å2 in ambient-temperature structures and to 6 Å2 in low-temperature structures, and surprisingly are comparable to values estimated two decades ago. It is well known that B factors are not due to local movements only but reflect several, additional factors from crystal defects, large-scale disorder, diffraction data quality etc. It therefore remains essential to normalize B factors when comparing different crystal structures, although it has clearly been shown that they provide useful information about protein dynamics. Improved, quantitative analyses of raw B factors require novel experimental and computational tools that are able to disaggregate local movements from other features and properties that affect B factors.

Challenges of Overcoming Defects in Wide Bandgap Semiconductor Power Electronics

The role of crystal defects in wide bandgap semiconductors and dielectrics under extreme environments (high temperature, high electric and magnetic fields, intense radiation, and mechanical stresses) found in power electronics is reviewed. Understanding defects requires real-time in situ material characterization during material synthesis and when the material is subjected to extreme environmental stress. Wide bandgap semiconductor devices are reviewed from the point of view of the role of defects and their impact on performance. It is shown that the reduction of defects represents a fundamental breakthrough that will enable wide bandgap (WBG) semiconductors to reach full potential. The main emphasis of the present review is to understand defect dynamics in WBG semiconductor bulk and at interfaces during the material synthesis and when subjected to extreme environments. High-brightness X-rays from synchrotron sources and advanced electron microscopy techniques are used for atomic-level material probing to understand and optimize the genesis and movement of crystal defects during material synthesis and extreme environmental stress. Strongly linked multi-scale modeling provides a deeper understanding of defect formation and defect dynamics in extreme environments.

V2O5/NaV6O15 nanocomposites synthesized by molten salt method as a high-performances cathode material for aqueous zinc-ion batteries

Aqueous zinc-ion batteries (ZIBs) is a potential energy storage system due to its advantages of low cost, good safety, and high theoretical capacity (820 mAh g-1). However, the lack of cathode materials with long cycle stability severely restricts the development of ZIBs. In this paper, V2O5/ NaV6O15 nanocomposites are synthesized by molten salt method in one step and used as cathode material for ZIBs, which have good electrochemical performances. The specific capacity of the materials remain 160 mAh g-1 when the current density is 0.5 A g-1 after 1000 cycles, and the capacity retention rate is 102.03% when the current density is 5 A g-1 for 1000 cycles. This is mainly due to the large number of active sites generated by crystal defects and the synergistic interaction between the dual-phase materials, which reduces the stress of ions inserted/extracted during the Zn2+ storage process and improves the electrochemical performance.

Variations in Microstructural and Physicochemical Properties of Candelilla Wax/Rice Bran Oil–Derived Oleogels Using Sunflower Lecithin and Soya Lecithin

Candelilla wax (CW) is a well-known oleogelator that displays tremendous oil-structuring potential. Lecithin acts as a crystal modifier due to its potential to alter the shape and size of the fat crystals by interacting with the wax molecules. The proposed work is an attempt to understand the impact of differently sourced lecithin, such as sunflower lecithin (SFL) and soya lecithin (SYL), on the various physicochemical properties of CW and rice bran oil (RBO) oleogels. The yellowish-white appearance of all samples and other effects of lecithin on the appearance of oleogels were initially quantified by using CIELab color parameters. The microstructural visualization confirmed grainy and globular fat structures of varied size, density, packing, and brightness. Samples made by using 5 mg of SFL (Sf5) and 1 mg of SYL (Sy1) in 20 g showed bright micrographs consisting of fat structures with better packing that might have been due to the improvised crystallinity in the said samples. The FTIR spectra of the prepared samples displayed no significant differences in the molecular interactions among the samples. Additionally, the slow crystallization kinetics of Sf5 and Sy1 correlated with better crystal packing and fewer crystal defects. The DSC endotherm displayed two peaks for melting corresponding to the melting of different molecular components of CW. However, all the formulations showed a characteristic crystallization peak at ~40 °C. The structural reorganization and crystal growth due to the addition of lecithin affected its mechanical property significantly. The spreadability test among all prepared oleogels showed better spreadable properties for Sf5 and Sy1 oleogel. The inclusion of lecithin in oleogels has demonstrated an enhancement in oleogel properties that allows them to be included in various food products.

Irradiation Hardening and Microstructure Characterization of Zr -1% Nb During Low Dose Neutron Irradiation

Due to low neutron absorption cross section, high mechanical strength, high thermal conductivity and good corrosion resistance in water and steam, Zirconium alloys are widely used as fuel cladding material in nuclear reactors. During life-time of a reactor the microstructure of this alloy is affected due to, among other factors, radiation damage and hydrogen damage. In this work mechanical properties changes on neutron irradiated Zr-1wt.% Nb at low temperatures (< 100 °C) and low dose (3.5 ´ 1023 n m-2 (E > 1 MeV)) were correlated with hydrides and crystal defects evolution during irradiation. To achieve this propose, tensile tests of: 1) Non-hydrided and non-irradiated material, 2) Hydrided and non-irradiated material and 3) Hydrided and irradiated material were performed at 25 ºC and 300 ºC. Different phases, hydrides and second phase precipitates were characterized by transmission electron microscopy (TEM) techniques. For the hydrided and irradiated material, the ductility decreased sharply with respect to the hydrided and non-irradiated material, among other factors, due to the change in the microstructure produced mainly by neutron irradiation. Even if the presence of the hydride ζ (zeta) was observed, both in the irradiated and non-irradiated material, tensile tests showed that ζ-hydrides did not affect ductility, since hydrided samples are more ductile than non-hydrided samples.