Effect of cooling rate on the crystallization behavior of perovskite in high titanium-bearing blast furnace slag

The effect of cooling rate on the crystallization of perovskite in high Ti-bearing blast furnace（BF） slag was studied using confocal scanning laser microscopy（CSLM）. Results showed that perovskite was the primary phase formed during the cooling of slag. On the slag surface, the growth of perovskite proceeded via the successive production of quasi-particles along straight lines, which further extended in certain directions. The morphology and structure of perovskite was found to vary as a function of cooling rate. At cooling rates of 10 and 30 K/min, the dendritic arms of perovskite crossed obliquely, while they were orthogonal at a cooling rate of 20 K/min and hexagonal at cooling rates of 40 and 50 K/min. These three crystal morphologies thus obtained at different cooling rates respectively corresponded to the orthorhombic, cubic and hexagonal crystal structures of perovskite. The observed change in the structure of perovskite could probably be attributed to the deficiency of O^2-, when Ti2O3 was involved in the formation of perovskite.

A MATHEMATICAL EXPRESSION OF CRYSTAL GROWTH RATE DURING CRYSTALLIZATION OF AMORPHOUS ALLOYS

A mathematical expression of the crystal growth rate during crystallization of the amorphous alloys was derived from the micromechanism of crystallization newly developed by the authors. Thus, the satisfactory explanation of the experimental results obtained by Nunogaki et al., Heimendahl et al. and the authors might be found. It seems also to be modelled with the expression for the crystal growth and the crystal size influenced by time during the crystallization of amorphous Ni-P alloy foil at in situ heating. Based on the expression, the factors influencing the crystal growth rate, such as temperature, time and microstructure of amorphous alloys have been discussed.

Numerical Simulation of the Scavenging Rates of Ice Crystals of Various Microphysical Characteristics

Numerical models of trajectories of small aerosol spheres relative to oblate spheroids were used to determine ice crystal scavenging efficiencies. The models included the effects of aerodynamic flow about the ice particle, gravity, aerosol particle inertia and drag and electrostatic effects. Two electric configurations of the ice particle were investigated in detail. The first applied a net charge to the ice particle, of magnitude equal to the mean thunderstorm charge distribution, while the second applied a charge distribution, with no net charge, to the ice particle to model the electric multipole charge distribution. The results show that growing ice crystals with electric multipoles are better scavengers than single ice crystals with net thunderstorm charges, especially in the Greenfield gap (0.1 to 1.0 um), and that larger single crystals are better scavengers than smaller single crystals. The results also show that the low density ice crystals are more effective scavengers with net charges than they are with charge distribution.

Purification of 2,6-Diisopropylnaphthalene by Static Melt Crystallization from a Mixture Containing Diisopropylnaphthalene Isomers

2,6-Diisopropylnaphthalene （2,6-DIPN）, as the precursor of important monomer 2,6-naphthalene dicarboxylic acid, could be produced by the shape-selective isopropylation of naphthalene with propene resulting in an isomeric mixture having different alkylation levels. Since the boiling points of DIPNs were very close and the differences of melting points in-between isomers were quite distinctive, the static melt crystallization was applied to separate and purify 2,6-DIPN from its isomers. 2,6-DIPN with purity ≥99% was produced through a process of three stages： crystallization→sweating→melting. The phase diagram of 2,6-DIPN-2,7-DIPN binary system was plotted to opti- mize the temperature control of crystallization. By repeated crystallization of melts with different concentration levels, the yield of pure 2,6-DIPN could be enhanced to 87%. No solvent was necessary. Keywords 2,6-diisopropylnaphthalene, static melt crystallization, crystallization rate, sweating rate, eutectic temperature

Efficient and stable tin-based perovskite solar cells by introducing π-conjugated Lewis base

Tin-based perovskite solar cells(TPSCs)as the most promising candidate for lead-free PSCs have incurred extensive researches all over the world.However,the crystallization process of tin-based perovskite is too fast during the solution-deposited process,resulting in abundant pinholes and poor homogeneity that cause serious charge recombination in perovskite layer.Here,we employed theπ-conjugated Lewis base molecules with high electron density to systematically control the crystallization rate of FASnI3 perovskite by forming stable intermediate phase with the Sn-I frameworks,leading to a compact and uniform perovskite film with large increase in the carrier lifetime.Meanwhile,the introduction of theπ-conjugated systems also retards the permeation of moisture into perovskite crystal,which significantly suppresses the film degradation in air.These benefits contributed to a stabilizing power conversion efficiency(PCE)of 10.1%for the TPSCs and maintained over 90%of its initial PCE after 1000-h light soaking in air.Also,a steady-state efficiency of 9.2%was certified at the accredited test center.

Coarsening Behavior of Gamma Prime Precipitates in a Nickel Based Single Crystal Superalloy

The γ/γ＇ microstructural evolution in a nickel based single crystal superalloy during load-free thermal exposure at 900 ℃ has been further investigated in this paper. The growth characteristics of γ＇ precipitates were discussed in detail. The generation of interfacial dislocations would accelerate the rate of coalescence in the dendrite arms. The average sizes of precipitates were used to compare interface with diffusion controlled growth mechanism and no mechanism seems obviously dominant, although the square rate law gives slightly better fit. The coarsening behavior may be controlled by diffusion through the ragged interface between the γ＇ precipitate and the y matrix.

Molecular Dynamics Studies on the Kinetics of Phase Changes of Nanoparticles： Properties, Structures, and Crystal Nucleation of Copper Nanoparticle Cu453

Molecular dynamics （MD） computer simulations have been carried out to study the structures, properties and crystal nucleation of nanoparticles with 453 Cu atoms. Structure information was analyzed from the MD simulations, while properties of nanoparticles of Cu453, such as melting point, freezing temperature, heat capacity and mo- lar volumes, have been estimated. The face center cubic （FCC） phase and icosahedron （Ih） phase were observed during the quenching process, and nucleation rates of crystallization to FCC crystal of Cu453 at temperatures of 650, 700, 750, and 800 K were analyzed. Both classical nucleation theory （CNT） and diffuse interface theory （DIT） were used to interpret our observed nucleation rates. The free energy and diffuse interface thickness between the liquid and the FCC crystal phases were estimated by the CNT and DIT respectively, and the results show that the DIT does not work properly to the system.

Molecular Dynamics Studies of the Kinetics of Phase Changes in Clusters IV:Crystal Nucleation from Molten (NaCl)_(256) and (NaCl)_(500) Clusters

Molecular dynamics computer simulation based on the Born-Mayer-Huggins potential function has been carried out to study the effects of cluster size and temperature on the nucleation rate of sodium chloride clusters in the temperature range of 580 K to 630 K. Clusters with 256 and 500 NaCl molecules have been studied and the results have been compared with those obtained from 108 molecule clusters. The melting point (MP) of the clusters were observed to increase with the size of the clusters and can be well described by a linear equation MP=1107(37)-1229(23)N -1/3 (N is the number of molecules in the cluster). The nucleation rate was found to decrease with increasing the cluster size or temperature. Various nucleation theories have been used to interpret the nucleation rates obtained from this molecular dynamics simulation. It is possible to use a constant diffuse interface thickness to interpret the nucleation rate from the diffuse interface theory in the temperature range of this study. However,the interfacial free energy estimated from classical nucleation theory and diffuse interface theory increases too fast with increasing the temperature while that from Gran-Gunton theory does not change with changing temperatures. The sizes of critical nuclei estimated from all the theories are smaller than those estimated from our simulations.