"Enhancing the performance limits of nano-structured materials through atomistic modeling, experimental validation and design optimization"

“通过原子建模、实验验证和设计优化提高纳米结构材料的性能极限”

• 批准号: 418392-2012
• 负责人: Singh, ChandraVeer
• 金额: $ 1.75万
• 依托单位: University of Toronto
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2016
• 资助国家: 加拿大
• 起止时间: 2016-01-01 至 2017-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=596334
• 关键词: Enhancing; performance; limits; nano; structured

It is often remarked that the road to success is paved with failure. This is particularly true for materials technology; understanding how materials fail paves the way to make them better. Despite significant breakthroughs in recent decades through nanotechnology, advanced materials typically fail at one-tenth or less of their intrinsic limits, and we do not understand why this is. This failure of advanced structural materials is a principal bottleneck for developing future technologies in a wide range of industrial sectors such as energy, healthcare and aerospace. By itself failure modeling is an age old problem - the novelty comes from the accuracy of details you put in the mathematical model that describes failure. In the past, modeling material failure has been ad-hoc and empirical. The material scientist's dream is to put in basic details of the material into a model and then predict its failure precisely without resorting to ad-hoc parameters. This dream is starting to become achievable through a judicious coordination of computational materials science and experimental validation. This project aims to take empiricism out of failure modeling and make clear-cut progress towards computational materials design.

经常指出，成功之路被失败铺平了。材料技术尤其如此。了解材料如何铺平道路以使其变得更好。尽管近几十年来通过纳米技术取得了重大突破，但高级材料通常会在其内在限制的十分之一或更少的情况下失败，我们不明白为什么这是这样。先进结构材料的这种失败是用于在能源，医疗保健和航空航天等广泛工业领域开发未来技术的主要瓶颈。从本身就失败建模是一个古老的问题 - 新颖性来自您在描述失败的数学模型中提出的细节的准确性。过去，建模材料故障一直是临时和经验性的。物质科学家的梦想是将材料的基本细节纳入模型，然后准确地预测其失败而不诉诸于临时参数。通过对计算材料科学和实验验证的明智协调，这个梦想开始实现。该项目旨在使经验主义摆脱故障建模，并在计算材料设计方面取得明显的进步。