了解HCP Zr多晶体中的化物沉机制:微机械方法
Yang Liu1,2, Mark R Wenman1, Catrin M Davies3
1Department of Materials, Imperial College London, London, SW7 2AZ UK.
概括
这项研究模拟了反应堆条件下的多晶体中化物沉. 调查结果显示,微观结构和度在Zircaloy-4中显著影响化物形成.
科学领域:
- 材料科学 材料科学 材料科学
- 核工程 核工程是指核工程.
- 计算力学 计算力学 计算力学
背景情况:
- 合金中的化物沉是核反应堆安全的一个关键问题.
- 了解在热力学负荷下介质级化物行为的理解对于材料完整性至关重要.
- 基-4是一种广泛用于核燃料外的合金.
研究的目的:
- 为了建模和分析Zircaloy-4中中尺度化物的降水和溶解.
- 为了研究晶体学,热力学负荷和异构性对化物形成的影响.
- 为在工业相关的反应堆条件下提供有关化物沉的见解.
主要方法:
- 使用晶体可塑性有限元素方法 (CPFEM) 进行建模.
- 集成的DFT信息的子基网度.
- 分析了Zircaloy-4的三晶和多晶模型.
主要成果:
- 晶体学,热力学负荷和elasto-plastic异质性显著影响化物核和生长.
- 多晶体模型为复杂的化物沉提供了新的见解,与实验观测保持一致.
- 微力学发现强调了微观结构,热前条件和度极限的重要性.
结论:
- 这项研究增强了对在热力学循环过程中基-4中化物形成机制的理解.
- 结果为进一步研究核反应堆中合金的行为提供了基础.
- 准确的建模对于在操作环境中预测和减轻化物相关问题至关重要.
相关概念视频
Precipitation Processes
332
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...
332
Types of Coprecipitation
518
Coprecipitation is the contamination of a precipitate by otherwise soluble species and occurs via different processes. In colloidal precipitates, coprecipitation occurs via surface adsorption. For instance, barium sulfate has a primary layer of adsorbed barium ions and a secondary layer of nitrate counterions. This results in contamination of the precipitate by barium nitrate.
Sometimes, ions in a crystal lattice can undergo isomorphous replacement by inclusions of similar charge and size. For...
Sometimes, ions in a crystal lattice can undergo isomorphous replacement by inclusions of similar charge and size. For...
518
Washing, Drying, and Ignition of Precipitates
772
After filtration, the precipitate is washed to remove coprecipitated impurities and any remaining mother liquor. Colloidal precipitates, such as silver chloride, are washed with an electrolyte (such as dilute nitric acid) to prevent the peptization of the precipitate. In the case of slightly soluble precipitates, the wash solution contains a common ion to reduce solubility. Lead sulfate, which is slightly soluble in water, is washed with dilute sulfuric acid. Similarly, wash solutions may be...
772
Metallic Solids
18.0K
Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and...
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and...
18.0K
Qualitative Analysis
19.9K
For solutions containing mixtures of different cations, the identity of each cation can be determined by qualitative analysis. This technique involves a series of selective precipitations with different chemical reagents, each reaction producing a characteristic precipitate for a specific group of cations. Metal ions within a group are further separated by varying the pH, heating the mixture to redissolve a precipitate, or adding other reagents to form complex ions.
For instance, group IV...
For instance, group IV...
19.9K
Acid Halides to Carboxylic Acids: Hydrolysis
2.4K
Hydrolysis of acid halides is a nucleophilic acyl substitution reaction in which acid halides react with water to give carboxylic acids. The reaction occurs readily and does not require acid or a base catalyst.
As shown below, the mechanism involves a nucleophilic attack by water at the carbonyl carbon to form a tetrahedral intermediate. This is followed by the reformation of the carbon–oxygen π bond along with the departure of a halide ion. A final proton transfer step yields...
As shown below, the mechanism involves a nucleophilic attack by water at the carbonyl carbon to form a tetrahedral intermediate. This is followed by the reformation of the carbon–oxygen π bond along with the departure of a halide ion. A final proton transfer step yields...
2.4K


