Ultra-large Scale Molecular Dynamics Simulation for Nano-engineering

In light of the special need of nano-engineering, an ultra-large scale and high-performance molecular dynamics（MD） simulation program was implemented. In many nano-engineering processes, the free boundary condition should be adopted. To meet this particular requirement, a pointer link and dynamic array data structures were employed so that both reliability and accuracy of simulation could be ensured. Using this method, one could realize the MD simulation of the nano-engineering system consisting of several million atoms per single CPU.

Oxygen redox chemistry in lithium-rich cathode materials for Li-ion batteries:Understanding from atomic structure to nano-engineering

Lithium-rich oxide compounds have been recognized as promising cathode materials for high performance Li-ion batteries,owing to their high specific capacity.However,it remains a great challenge to achieve the fully reversible anionic redox reactions to realize high capacity,high stability,and low voltage hysteresis for lithiumrich cathode materials.Therefore,it is critically important to comprehensively understand and control the anionic redox chemistry of lithium-rich cathode materials,including atomic structure design,and nano-scale materials engineering technologies.Herein,we summarize the recent research progress of lithium-rich cathode materials with a focus on redox chemistry.Particularly,we highlight the oxygen-based redox reactions in lithium-rich metal oxides,with critical views of designing next generation oxygen redox lithium cathode materials.Furthermore,we purposed the most promising strategies for improving the performances of lithium-rich cathode materials with a technology-spectrum from the atomic scale to nano-scale.

New Trends in Nano-Engineering

With rapid developments of nanoengineering in the recent years, highperformance and multi-functional nanomaterials, exhibiting new and enhanced physical and chemical properties, are introduced with innumerable conceivable applications. The recent advances in design, synthesis and characterization techniques of nano-materials have enabled the fabrication of modern nano-electromechanical systems (NEMS).

Controlled Nanocutting of Graphene

Rapid progress in graphene-based applications is calling for new processing techniques for creating graphene components with different shapes,sizes,and edge structures.Here we report a controlled cutting process for graphene sheets,using nickel nanoparticles as a knife that cuts with nanoscale precision.The cutting proceeds via catalytic hydrogenation of the graphene lattice,and can generate graphene pieces with specifi c zigzag or armchair edges.The size of the nanoparticle dictates the edge structure that is produced during the cutting.The cutting occurs along straight lines and along symmetry lines,defined by angles of 60ºor 120º,and is defl ected at free edges or defects,allowing practical control of graphene nano-engineering.

Linear Liquid Responses of Morpho Butterfly Structural Color： Experiment and Modeling

This paper investigates the selective liquid response for Morpho didius butterfly wing scales and propose an optical model to explain the effect of different components on the liquid response. It is found out that the reason of the selective response is that the liquid media forms nanometre-thick films between ridge-lamellae nanostructures and changes the constructive interference wavelength. There is linear relation between the structural color of ridge-lamellae structure and index of liquid background media. The reason of vapor＇s responses is that the nanometre-thick liquid fi lms on ridge-lamellae nanostructures change the constructive interference wavelength. These liquid films are formed due to vapor adsorption. Therefore,the selective linear liquid response can be applied to design nano-engineered photonic liquid and vapor sensors.