Phase field modeling of phase patterns and domain structures in functional nano-composite films

功能纳米复合薄膜中相图案和域结构的相场建模

• 批准号: 155157-2010
• 负责人: Artemev, Andrei
• 金额: $ 1.46万
• 依托单位: Carleton University
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2011
• 资助国家: 加拿大
• 起止时间: 2011-01-01 至 2012-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=475993
• 关键词: Phase; field; modeling; phase; patterns

The purpose of the proposed research is to develop a set of computational models that can be used for the analysis and design of thin films with nano-composite self-assembling structures. The self-assembling nano-composite films are a new group of materials with unique properties. Different types of such films can have different special properties: some of them can be used as ultra hard coatings with a very high fracture resistance, while others can provide unique electrical or magnetic properties. There are systems wherein the interaction between the components with ferromagnetic and ferroelectric (a ferroelectric material can maintain electric polarization similarly to a ferromagnetic material maintaining magnetization) properties can produce effects that cannot be obtained in individual components, such as a magnetic response to an electric field or an electric response to a magnetic field. Thin films with different combinations of unique properties can be used in a wide range of different applications. The pattern formed by different components in the structure of a self-assembling nano-composite film is sensitive to elastic interactions between components and between the film and substrate. It is possible to control this pattern by controlling different factors affecting elastic interactions. The first goal of this research is to develop a computational model that can predict the conditions under which different types of patterns in the structure of nano-composites can be produced. The information about the pattern is important because different patterns will produce different properties. The second part of the research will address the problem of the relationship between the component pattern in a nano-composite and its electric and/or magnetic properties. Models of the domain structure will allow us to predict the difference between the functional behavior of different patterns. Together the developed computational models will allow us to predict the conditions under which thin films with the optimum properties can be produced.

拟议的研究的目的是开发一组计算模型，这些模型可用于用纳米复合材料自组装结构的薄膜分析和设计。自组装的纳米复合膜是具有独特特性的新材料。不同类型的此类膜可以具有不同的特殊特性：其中一些可以用作具有很高断裂性的超硬涂层，而另一些则可以提供独特的电气或磁性。在某些系统中，与铁电磁和铁电的组件之间的相互作用（铁电材料可以维持电力极化类似于维持磁化的铁磁材料）的性能可以产生在单个组件中无法获得的效果，例如对电场的磁反应或对磁场的电响应。具有不同特性组合的薄膜可以在各种不同的应用中使用。自组装纳米复合膜结构中不同组件形成的模式对组件之间以及膜和底物之间的弹性相互作用敏感。可以通过控制影响弹性相互作用的不同因素来控制这种模式。这项研究的第一个目标是开发一个计算模型，该模型可以预测可以产生纳米复合材料结构中不同类型的模式的条件。有关该模式的信息很重要，因为不同的模式将产生不同的属性。研究的第二部分将解决纳米复合材料中组件模式与其电和/或磁性特性之间关系之间关系的问题。域结构的模型将使我们能够预测不同模式的功能行为之间的差异。共同开发的计算模型将使我们能够预测具有最佳特性的薄膜的条件。