Collaborative Research: Novel Atomistic-Continuum Simulation of Sequential Grain Boundary-Dislocation Slip Transfer Reactions

合作研究:连续晶界位错滑移传递反应的新型原子连续模拟

基本信息

  • 批准号:
    1233113
  • 负责人:
  • 金额:
    $ 14.07万
  • 依托单位:
  • 依托单位国家:
    美国
  • 项目类别:
    Standard Grant
  • 财政年份:
    2012
  • 资助国家:
    美国
  • 起止时间:
    2012-09-01 至 2016-08-31
  • 项目状态:
    已结题

项目摘要

The research objective of this award is to advance a coupled atomistic-continuum simulation method to explore slip transfer at grain boundaries. Lack of such a method is a current obstacle to progress towards developing constitutive relations that reflect the structure and behavior of grain boundaries, for example in polycrystal plasticity. The problem is complicated by the need to account for long range interactions of dislocation fields while also considering the atomic-level structural detail of the interface. This research will explore processes of sequential dislocation reactions with bicrystal interfaces by maintaining full atomistic resolution of the interface reactions and successively coarse graining the field description away from the interfaces at distances that are normally inaccessible to fully resolved molecular dynamics. Such a capability will enable parametric studies of dislocation-grain boundary slip transfer reactions over the full range of grain boundary degrees of freedom, including tilt and twist boundaries, as well as asymmetric boundaries that often have faceted structure and can give rise to profuse dislocation nucleation. Nanotwinned structures with a wide range of twin spacing will also be considered. This work will use state-of-the-art embedded atom method potentials which have proven quite accurate for fcc metals such as Cu in modeling various aspects of dislocation nucleation, formation of stacking faults, and dislocation interactions This research will advance a computational method that couples fully atomistic descriptions of nanoscale metallic behavior to mesoscale and macroscale constitutive behavior. It will permit study of the complex interactions that occur between dislocations and grain boundaries in polycrystalline metals which will lead to physics-based predictive constitutive models for metals. This research will advance the multiscale modeling of metals and lead to improved simulation and ultimately design of materials. Results of the research will be incorporated into graduate courses at both institutions.
该奖项的研究目标是提出一种耦合原子连续模拟方法,以探索晶界滑移转移。缺乏这样的方法是目前发展本构关系,反映晶界的结构和行为,例如在多晶塑性进展的障碍。这个问题是复杂的,需要考虑的位错场的长程相互作用,同时也考虑到原子级的界面结构的细节。 本研究将探讨连续位错反应与双晶体界面的过程,通过保持全原子分辨率的界面反应和连续粗粒化的字段描述远离界面的距离,通常是无法完全解决的分子动力学。这样的能力将使参数研究的位错晶界滑移转移反应在整个范围内的晶界自由度,包括倾斜和扭曲的边界,以及不对称的边界,往往有多面结构,可以引起丰富的位错成核。也将考虑具有宽范围的孪晶间距的纳米孪晶结构。这项工作将使用国家的最先进的嵌入式原子方法的潜力,已被证明相当准确的面心立方金属,如铜在模拟位错成核,堆垛层错的形成,和位错相互作用的各个方面。这项研究将推进一个计算方法,耦合完全原子的描述纳米尺度的金属行为的介观和宏观本构行为。它将允许研究多晶金属中位错和晶界之间发生的复杂相互作用,这将导致基于物理的金属预测本构模型。这项研究将推进金属的多尺度建模,并导致改进的模拟和最终的材料设计。研究结果将纳入这两个机构的研究生课程。

项目成果

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Youping Chen其他文献

A coherent phonon pulse model for transient phonon thermal transport
瞬态声子热传输的相干声子脉冲模型
  • DOI:
    10.1016/j.cpc.2015.05.008
  • 发表时间:
    2015
  • 期刊:
  • 影响因子:
    0
  • 作者:
    Xiang Chen;A. Chernatynskiy;Liming Xiong;Youping Chen
  • 通讯作者:
    Youping Chen
Multiscale modeling of polycrystalline silicon
多晶硅的多尺度建模
Modeling and simulation of osteoporosis and fracture of trabecular bone by meshless method
无网格法骨质疏松及骨小梁骨折建模与模拟
  • DOI:
    10.1016/j.ijengsci.2007.03.007
  • 发表时间:
    2007
  • 期刊:
  • 影响因子:
    6.6
  • 作者:
    James D. Lee;Youping Chen;Xiaowei Zeng;A. Eskandarian;M. Oskard
  • 通讯作者:
    M. Oskard
Multipoint Remote Methane Measurement System Based on Spectrum Absorption and Reflective TDM
基于光谱吸收和反射式TDM的多点远程甲烷测量系统
  • DOI:
    10.1109/lpt.2016.2601625
  • 发表时间:
    2016
  • 期刊:
  • 影响因子:
    2.6
  • 作者:
    Chao Sun;Youping Chen;Gang Zhang;Feng Wang;Guangsen Liu;Jianjun Ding
  • 通讯作者:
    Jianjun Ding
Past, present and future changes in the annual streamflow of the Lancang-Mekong River and their driving mechanisms
澜沧江-湄公河年径流量的过去、现在和未来变化及其驱动机制
  • DOI:
    10.1016/j.scitotenv.2024.174707
  • 发表时间:
    2024-10-15
  • 期刊:
  • 影响因子:
    8.000
  • 作者:
    Shijie Wang;Feng Chen;Mao Hu;Youping Chen;Honghua Cao;Weipeng Yue;Xiaoen Zhao
  • 通讯作者:
    Xiaoen Zhao

Youping Chen的其他文献

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{{ truncateString('Youping Chen', 18)}}的其他基金

Collective Dynamics and Resonances of Phonons and Dislocations in Thermal Transport
热传输中声子和位错的集体动力学和共振
  • 批准号:
    2121895
  • 财政年份:
    2023
  • 资助金额:
    $ 14.07万
  • 项目类别:
    Continuing Grant
Towards a New Framework for the Mechanics of Nonequilibrium Continua
走向非平衡连续体力学的新框架
  • 批准号:
    2054607
  • 财政年份:
    2021
  • 资助金额:
    $ 14.07万
  • 项目类别:
    Standard Grant
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
  • 批准号:
    1761512
  • 财政年份:
    2018
  • 资助金额:
    $ 14.07万
  • 项目类别:
    Standard Grant
Linking and Unifying Atomistic and Continuum Mechanics Formulation
连接和统一原子力学和连续力学公式
  • 批准号:
    1129976
  • 财政年份:
    2012
  • 资助金额:
    $ 14.07万
  • 项目类别:
    Standard Grant
Reproducing the Extraordinary Mechanical Properties of Biominerals through Multiscale Simulation
通过多尺度模拟再现生物矿物的非凡机械性能
  • 批准号:
    0855795
  • 财政年份:
    2009
  • 资助金额:
    $ 14.07万
  • 项目类别:
    Standard Grant
Towards Multiscale Mechanical Design of Hierarchical Cellular Materials
面向分层多孔材料的多尺度机械设计
  • 批准号:
    0824688
  • 财政年份:
    2009
  • 资助金额:
    $ 14.07万
  • 项目类别:
    Standard Grant
SST: Predicting and Optimizing Nano/Micro Sensor Material Behavior in Extreme Environments
SST:预测和优化极端环境中纳米/微米传感器材料的行为
  • 批准号:
    0646674
  • 财政年份:
    2006
  • 资助金额:
    $ 14.07万
  • 项目类别:
    Standard Grant
SST: Predicting and Optimizing Nano/Micro Sensor Material Behavior in Extreme Environments
SST:预测和优化极端环境中纳米/微米传感器材料的行为
  • 批准号:
    0428419
  • 财政年份:
    2004
  • 资助金额:
    $ 14.07万
  • 项目类别:
    Standard Grant

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