ID113:Multiscale Modeling of the Mechanical and Optical Responses of Quantum Dot Composites as Inter

来源 :第五届爆炸、冲击波和高应变率现象国际研讨会(International Workshop on Explosion, S | 被引量 : 0次 | 上传用户:snowbar
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
  Quantum dot(QD)composite films are potential candidates for meso-scale stress/strain sensing in the interior of materials under quasisatic and shock loading.One requirement in this development is the establishment of calibrated relations between shifts in the emission spectrum of QD systems and input stress/strain for the composites.Investigation of the relations involves physics at multiple length scales: stress distribution and evolution in the film,interactions between the matrix and QDs,deformation and phase transformation of the nanoscale QDs and electron-related band structures which determine the optical properties of QDs.The multiscale nature of the analysis requires suitable multiscale modeling schemes which take into account of relevant underlying mechanisms.Here,we present a multiscale computational framework for quantifying the strain-dependent blueshift in the emission spectrum of CdTe QDs randomly distributed in a matrix of polymer or glass under loading of a range of stress or strain triaxiality.The framework,which combines the finite element method,molecular dynamics simulations and the empirical tight-binding method,captures the matrix/QD interactions,possible deformation-induced phase transformations and strain-dependent band structures of the QDs.Calculations reveal that the response of the QDs is strongly dependent on the state of input stress(strain).Under hydrostatic compression,the blueshift increases monotonically with strain.Under compression with lateral/axial strain ratios between 0.0 and 0.5,the blueshift initially increases,reaches a peak at an intermediate strain,and subsequently decreases with strain.This trend reflects a competition between increases in the energy levels associated with the conduction and valence bands of the QDs.The deformation-induced blueshift is also found to be dependent on QD orientations.The quantitative relations obtained allow the design of stress/strain sensors via systematic selection of QD size and matrix material.
其他文献
会议
会议
会议
会议
We developed the Optimal Transportation Meshfree(OTM)method based on a combination of Optimal Transportation theory,material point sampling and Local Maximum Entropy interpolation to address the diffi
会议
会议
会议
会议
会议