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Full-Text Articles in Materials Science and Engineering

Study Of Nanocomposite Materials Using Molecular Dynamics, Prashik Sunil Gaikwad Jan 2023

Study Of Nanocomposite Materials Using Molecular Dynamics, Prashik Sunil Gaikwad

Dissertations, Master's Theses and Master's Reports

There is an increase in demand for new lightweight structural materials in the aerospace industry for more efficient and affordable human space travel. Polymer matrix composites (PMCs) with reinforcement material as carbon nanotubes (CNTs) have shown exceptional increase in the mechanical properties. Flattened carbon nanotubes (flCNTs) are a primary component of many carbon nanotube (CNT) yarn and sheet materials, which are promising reinforcements for the next generation of ultra-strong composites for aerospace applications. These flCNT/polymer materials are subjected to extreme pressure and temperature during curing process. Therefore there is a need to investigate the evolution of properties during the curing …


Electrochemical Performance Of Fe3o4/C Composites As Negative Material For Lithium-Ion Batteries, Jun-Jie Cai, Shu Yao, Ze-Sheng Li, Hui Meng, Pei-Kang Shen Feb 2013

Electrochemical Performance Of Fe3o4/C Composites As Negative Material For Lithium-Ion Batteries, Jun-Jie Cai, Shu Yao, Ze-Sheng Li, Hui Meng, Pei-Kang Shen

Journal of Electrochemistry

The Fe3O4/Carbon composites have been synthesized through coprecipitation pathway and by insitu aniline polymerization as a carbon source. Structural characterization and morphological study of the composites were investigated by using XRD, SEM and TEM techniques. The results showed that the nanosized Fe3O4 particles (40 ~ 80 nm) were encapsulated in the amorphous carbon. During the electrochemical tests, the Fe3O4/C composites exhibited high capaticity and excellent cycle ability, the retention of capaticity was about 1000 mAh?g-1 after 30 cycles of charge/discharge tests at 50 mA?g-1.


Atomistic Modeling Of Hydrogen Storage In Nanostructured Carbons, Lujian Peng May 2011

Atomistic Modeling Of Hydrogen Storage In Nanostructured Carbons, Lujian Peng

Doctoral Dissertations

Nanoporous carbons are among the widely studied and promising materials on hydrogen storage for on-board vehicles. However, the nature of nanoporous carbon structures, as well as the relationship between local structure and hydrogen adsorption are still unclear, and hinder the design of carbon materials for optimum hydrogen storage. This dissertation presents a systematic modeling effort of hydrogen storage in nanoporous carbon materials. Tight binding molecular dynamics simulations are utilized to simulate the amorphous carbons over a wide range of density. The resulting structures are in good agreement with experimental data of ultra-microporous carbon (UMC), a wood-based activated carbon, as indicated …