Collaborative Research: Mesoscopic Defect Field Interactions in Materials with High Number Density of Interfaces

合作研究：高界面数密度材料中的细观缺陷场相互作用

基本信息

批准号：
1761512
负责人：
Youping Chen
金额：
$ 20.27万
依托单位：
University of Florida
依托单位国家：
美国
项目类别：
Standard Grant
财政年份：
2018
资助国家：
美国
起止时间：
2018-08-15 至 2022-07-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=1761512&HistoricalAwards=false
关键词：
Collaborative Research Mesoscopic Defect Field

项目摘要

Deformation behavior of crystalline materials is highly complex, owing to a hierarchy of length scales that describes their structural makeup. Interfaces link distinct crystal structures or material phases at these various length scales. The interactions of crystalline defects with interfaces are chiefly responsible for the emergent material behavior at the application scale. The collective interactions of defects and interfaces through multiple scales up to the higher scale of everyday applications have been extremely challenging to resolve experimentally and have also not been captured using computer simulations to the desired sophistication. This is a significant obstacle to the understanding of the behavior of complex materials, where high density of specific interfaces is instrumental in achieving superior functional and/or mechanical properties. This research aims to address this challenge through the study of superlattices and metamaterials by exploiting and further advancing an atomistic-to-continuum scale method. It is expected that this research will significantly promote the fields of mechanics of materials and computational materials science, with commensurate impact on the rapidly developing field of computational materials design, which will advance national health, prosperity, and welfare. This work is also expected to have substantial broader impact through training of undergraduate students in high-performance computing, graduate curriculum enhancements, and dissemination of codes to the wider community. The project will also reach out to engage students from underrepresented groups.Superlattices and metamaterials represent two emerging material systems that derive their exceptional properties from structure rather than composition. With their well-ordered periodic interfaces and structure, superlattices and metamaterials provide model systems amenable to systematic study of the collective role of interfaces on evolving defect structures. The goal of this collaborative effort is to demonstrate the collective role of interfaces and defects on mechanical properties by studying this special class of material systems by using an advanced Concurrent Atomistic-Continuum (CAC) approach. It is expected that this research will identify the dominant deformation mechanisms as well as the key structural variables that control the materials behavior and the underlying mechanisms, explore the critical length scale or structural parameters at which the materials exhibit a transition from ductile to brittle behavior, and investigate the fundamental phenomena that control the plastic flow and fracture behaviors in these material systems.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

晶体材料的变形行为非常复杂，这是由于描述其结构构成的长度尺度的层次结构。接口在这些各个长度尺度上连接不同的晶体结构或材料相。结晶缺陷与界面的相互作用主要负责应用量表的新兴物质行为。通过多个尺度到较高的日常应用程序，缺陷和接口的集体相互作用非常具有挑战性，无法实验解决，并且还没有使用计算机模拟来捕获所需的复杂性。这是理解复杂材料行为的重要障碍，其中高密度的特定接口密度有助于实现卓越的功能和/或机械性能。这项研究旨在通过研究超晶格和超材料来解决这一挑战，并进一步推进一种原子至颈量表方法。可以预期，这项研究将大大促进材料和计算材料科学的机制领域，并对迅速发展的计算材料设计领域的影响相称，这将促进国家健康，繁荣和福利。预计这项工作将通过对高性能计算，研究生课程的增强和向更广泛社区的代码传播方面的培训，对本科生进行培训，从而产生更广泛的影响。该项目还将伸出援手，吸引来自代表性不足的群体的学生。Superlattices和超材料代表了两个新兴的材料系统，这些系统从结构而不是组成中得出了其出色的特性。凭借其有序的周期性界面和结构，超晶格和超材料提供了模型系统，可系统地研究界面在不断发展的缺陷结构上的集体作用。这种协作努力的目的是通过使用先进的并发原子 - 基因图（CAC）方法来研究这种特殊的材料系统的界面和机械性能的缺陷。可以预期，这项研究将确定控制材料行为和基础机制的主要结构变量，并探索材料从暴力行为到脆性行为过渡到脆性的临界长度或结构性参数，并研究这些材料系统的基本现象，并研究了这些元素的范围，并在范围内进行了宣传。通过使用基金会的知识分子和更广泛影响的评论标准来通过评估来支持。