molecular simulationstructural defectsTight-binding molecular dynamics simulations have been performed to investigate the effect of quenching rate of the Si melt on the resulting local structure of amorphous silicon. Different quenching rates were used to cool liquid silicon in the simulations to ...
Following melt-quenching realizes the glass formation of a family of carboxylate MOFs (UiO-67, UiO-68 and DUT-5), which are usually believed to be un-meltable. Our work opens up an avenue for melt-quenching porous molecular solids into glasses....
For nucleation, we induce elongation under constant load before quenching, to accelerate the process in accord with experimental observations. We observe multiple nucleation events, increased perfection of crystalline lamella on the 5nm length scale, and lamellar thickening. Nucleation is characterized by...
MOLECULAR dynamicsMETAL halidesX-ray imagingGlass is a group of materials with appealing qualities, including simplicity in fabrication, durability, and high transparency, and they play a crucial role in the optics field. In this paper, a new organic–inorganic metal halide lumine...
hexagonal and cubic phase selection exists in the quenching process of BaTiO3(BT) melt11,12. To obtain a desired phase, a certain condition at which precipitation of one phase is preferential to other possible polymorphs is required13. However, searching for such appropriate condition can be diff...
The dynamics of homogeneous nucleation and growth of crystalline nickel from the supercooled melt is examined during rapid quenching using molecular dynami... FJ Cherne,MI Baskes,RB Schwarz,... - 《Modelling & Simulation in Materials Science & Engineering》 被引量: 29发表: 2003年 Hit and miss...
1. The process for preparing uniformly oriented textile yarn which comprises extruding a molten synthetic linear polymer from a spinneret to form filaments, quenching said filaments to provide a solid structure by cooling them to a tempe... Kilian, Joseph J. - US 被引量: 85发表: 1961年 Proce...
Both thermal analysis and quenching... CF Weaver,RE Thoma,H Insley,... - 《Journal of the American Ceramic Society》 被引量: 6发表: 2010年 Investigation of ionic local structure in molten salt fast reactor LiF-ThF4-UF4 fuel by EXAFS experiments and molecular dynamics simulations This article...
In the nylon 6 melt spinning process at speeds of 900 and 1200 m/min the quenching is done in a stepwise manner. The effect on physical data of the drawn yarn is investigated and correlation between quench height, water takeup, and boiloff shrinkage discussed. Length changes across the ...
Upon quenching, the nucleation of small crystallites was found to occur preferentially within these domains. This behavior is at odds with classical nucleation theory, wherein it is typically assumed that nucleation occurs uniformly throughout the melt with equal rate. Comparisons are drawn between ...