相关实验视频
Updated: Jul 16, 2025

08:43
Molten-Salt Synthesis of Complex Metal Oxide Nanoparticles
Published on: October 27, 2018
18.1K
通过调整金属化的结构来控制核化过程中的多态选择
Qi Zhang1, Junjie Li1, Zhijun Wang1
1State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi'an 710072, P. R. China. jchwang@nwpu.edu.cn.
Physical chemistry chemical physics : PCCP
|September 15, 2023
概括
了解晶体多态是新金属材料的关键. 这项研究揭示了核化过程中多态选择的原子化机制,表明前体对称性决定了最终的晶体结构.
科学领域:
- 材料科学 材料科学 材料科学
- 结晶科学 结晶科学
- 计算材料科学科学 计算材料科学
背景情况:
- 控制晶体多态性对于设计具有定制性质的金属材料至关重要.
- 控制结晶过程中的多态选择的原子化机制尚未完全理解.
- 多态性显著影响材料性能和应用.
研究的目的:
- 探索FCC和铜核化过程中的多态选择的原子机制.
- 阐明自由能量表面和前体对称性在核化途径中的作用.
- 为控制核化和多态选择在实践中提供理论指导.
主要方法:
- 采用了分子动力学 (MD) 模拟.
- 利用温和的元动力学模拟来探索自由能量景观.
- 在低温的FCC和铜中研究核化过程.
主要成果:
- 对于FCC金属而言,不同的核化路径来自不同的自由能量表面和前体对称性.
- 最初形成的阶段通常具有与核化前体最接近的对称性.
- 具有特定对称性的微小种子可以诱导有序的前体,降低核化屏障并促进核化.
结论:
- 前体对称性是确定核化过程中选择的晶体多态的关键因素.
- 通过使用量身定制的种子调整前体对称性,可以实现控制多态选择.
- 结果提供了对多态选择和控制结晶的实际策略的基本见解.
相关概念视频
Ziegler–Natta Chain-Growth Polymerization: Overview
3.4K
Ziegler–Natta polymerization is another form of addition or chain‐growth polymerization used for synthesizing linear polymers over branched polymers. The catalyst used for polymerization is the Ziegler–Natta catalyst, named after Karl Ziegler and Giulio Natta, who developed it in 1953. This catalyst is an organometallic complex of titanium tetrachloride and triethyl aluminum, with the active form of the catalyst being an alkyl titanium compound. Using the Ziegler–Natta...
3.4K
Recrystallization: Solid–Solution Equilibria
1.1K
Recrystallization is a purification technique used to separate impurities from solid compounds. In this technique, no chemical reactions occur. Instead, it exploits physical properties only, specifically, the solubility differences between the desired compound and impurities, either at a single temperature or at different temperatures, and under other selected conditions. The solid-solution equilibrium (solubility equilibrium) of each component in the solution represents a binary phase...
1.1K
Polymer Classification: Crystallinity
2.9K
Unlike ionic or small covalent molecules, polymers do not form crystalline solids due to the diffusion limitations of their long-chain structures. However, polymers contain microscopic crystalline domains separated by amorphous domains.
Crystalline domains are the regions where polymer chains are aligned in an orderly manner and held together in proximity by intermolecular forces. For example, chains in the crystalline domains of polyethylene and nylon are bound together by van der Waals...
Crystalline domains are the regions where polymer chains are aligned in an orderly manner and held together in proximity by intermolecular forces. For example, chains in the crystalline domains of polyethylene and nylon are bound together by van der Waals...
2.9K
Crystal Growth: Principles of Crystallization
2.1K
Crystallization is a phase transformation process in which crystals are precipitated from a supersaturated solution or formed from other sources. During crystallization, atoms or molecules arrange themselves into a well-defined, rigid crystal lattice to minimize energy.
Initiating crystallization involves manipulating the concentration of the solute and the temperature of the solution. Since crystal growth occurs when the ratio of concentration and solubility of the solute in the solvent...
Initiating crystallization involves manipulating the concentration of the solute and the temperature of the solution. Since crystal growth occurs when the ratio of concentration and solubility of the solute in the solvent...
2.1K
Precipitation Processes
484
The experimental conditions in a gravimetric analysis should be optimized to maximize the particle size and purity of the obtained precipitate. Ideally, the concentration of the precipitating reagent should be low with effective stirring to maintain low relative supersaturation for the growth of large crystals. In homogeneous precipitation, the precipitant is slowly generated by a chemical reaction in the solution to avoid local reagent excesses. For example, urea decomposes gradually to...
484
Polymer Classification: Stereospecificity
2.5K
Polymerization generates chiral centers along the entire backbone of a polymer chain. Accordingly, the stereochemistry of the substituent group has a significant effect on polymer properties. Polymers formed from monosubstituted alkene monomers feature chiral carbons at every alternate position in the polymer backbone. Relative to the predominant orientation of substituents at the adjacent chiral carbons, the polymer can exist in three different configurations: isotactic, syndiotactic, and...
2.5K

