伍斯特理工学院机械工程科研项目

Worcester Polytechnic Institute Mechanical Engineering Research

科研主题：

以下领域内的相关课题，具体课题根据学生的基础，导师面试后确定。

Modeling and Simulation of Geoscience［⽣物⼒学建模与仿真］

Multiscale modeling and simulation［多尺度建模与仿真］

Computational fluid dynamics［计算流体⼒学］

mathematical modeling［数学建模］

Dynamic learning［动⼒学］

Control and machine learning［控制与机器⼈学］

Science and design［⼒学与设计］

Energy science and technology［能源科学与⼯程］

Nash and micro path［纳⽶与微⼯程］

Materials and manufacturing［材料与制造］

科研内容：

 Multiscale Modeling of carbon nanotube mechanics

Keyword: graphitization, nanotube, molecular dynamics, computational modeling

Recommendation: This project suitable for students who have strong background on numerical programming, material mechanics and dynamics.

Introduction:

Although, in the carbon family, graphite is the most thermodynamically stable allotrope, conversion of other carbon allotropes, even amorphous carbons, into graphite is extremely hard. A simple electrochemical route for the graphitization of amorphous carbons through cathodic polarization in molten CaCl2 at temperatures of about 1100 K, generates porous graphite comprising petaloid nanoflakes. This nanostructured graphite allows fast and reversible intercalation/deintercalation of anions, promising a superior cathode material for batteries. In a Pyr14TFSI ionic liquid, it exhibits a specific discharge capacity of 65 and 116 mAhg_1 at a rate of 1800 mAg_1 when charged to 5.0 and 5.25 V vs. Li/ Li+, respectively. The capacity remains fairly stable during cycling and decreases by only about 8% when the charge/ discharge rate is increased to 10000 mAg_1 during cycling between 2.25 and 5.0 V.

This project encourages student to build a computational model simulating the nanostructured graphite mechanics, using lammps which is a molecular dynamics based platform.