"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”

基本信息

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：
2017
资助国家：
加拿大
起止时间：
2017-01-01 至 2018-12-31
项目状态：
已结题

来源：
https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=638119
关键词：
Enhancing performance limits nano structured

项目摘要

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. Our focus will be on failure modeling in novel nano-structured material systems using computational materials science. State of the art atomistic modeling techniques will be employed to study failure in a variety of materials systems: nanocrystalline microtruss hybrid materials, nanocomposites and nano-engineered alloys. The current research program aims to achieve two major goals:(1) Develop and experimentally validate computational models that can accurately predict properties and failure of these materials without resorting to empirical parameters, and (2) Suggest routes for improving material performance limits through modification at the nanometer level. The applicant's hope is to develop novel material designs by efficiently combining atomistic failure modeling with experimental validation and design optimization.

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。我们的重点将是使用计算材料科学的新型纳米结构材料系统中的故障建模。将采用艺术原子建模技术来研究各种材料系统中的故障：纳米晶微晶状体混合材料，纳米复合材料和纳米工艺合金。当前的研究计划旨在实现两个主要目标：（1）开发和实验验证计算模型，这些模型可以准确预测这些材料的属性和失败而无需诉诸经验参数，（2）提出了通过修改在修改材料性能限制的途径，纳米水平。申请人的希望是通过有效地将原子故障建模与实验验证和设计优化相结合，开发新的材料设计。