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Fortran program writing *.eam.alloy potential for lammps
热度 4 欧阳彬 2012-4-18 16:16
This blog is about a program written by my self for generating the *.eam.alloy file for lammps, which has been finished 2012.04.18. Potential bugs must exist, therefore, advice and suggestion about this program is highly appreciated. !############################################################ ...
个人分类: Computational Materials Science|9811 次阅读|5 个评论 热度 4
Interesting potential strategy from artificial intelligence
欧阳彬 2012-4-13 23:20
Interesting potential strategy from artificial intelligence
It has been reported by the latest paper in Phys. Rev. B about a new type of strategy for calculating potential-energy surface. The nerual network, a mathematical model in the field of artificial intelligence has been developed to present a ab-initio standard precision of calculation about potentia ...
个人分类: Computational Materials Science|3651 次阅读|没有评论
Carbon based materials for electrode in batteries (2)
欧阳彬 2012-4-12 23:18
Carbon based materials for electrode in batteries (2)
This blog is about the storage of Lithium in varies of Carbon based structures, starting from graphite, fullerene, nanotubes, diamond and graphene. Most of the contents come from "N. A. Kaskhedikar et.al, Adv. Mater. 2009, 21, 2664-2680". From the finding of the intercalation mechanism of Li-io ...
个人分类: Batteries|5024 次阅读|没有评论
Advanced Electrode materials for Lithium Batteries (1)
欧阳彬 2012-4-12 14:22
Advanced Electrode materials for Lithium Batteries (1)
It will be concluded in this blog about the previous development of advanced materials for Lithium Batteries(LIBs). Among which most of the points are from a latest review paper "Function materials for rechargeable batteries, Adv. Mater, 2011, 23, 1695-1715". The schematic of previous study conce ...
个人分类: Batteries|5670 次阅读|没有评论
Induced stress in Li-ion batteries electrode (1)
欧阳彬 2012-4-11 10:48
Induced stress in Li-ion batteries electrode (1)
The induced stress in Li-ion batteries electrode(LIBs) will be discussed in this article, which focus mainly on the modeling and simulating. Two papers from JPS: "Zhang et.al, JPS, 2012, 220-227" and "Haftbaradaran et.al, JPS, 2011, 361-370" are analysed to demonstrate the latest development of this ...
个人分类: Batteries|4613 次阅读|没有评论
Carbon based materials for electrode in batteries (1)
热度 1 欧阳彬 2012-4-10 12:00
Carbon based materials for electrode in batteries (1)
This blog is about a short review of the current papers——carbon based materials for anode in Lithium-ion Batteries(LIB). Most of the contents are points from "A review of application of carbon nanotubes for lithium ion battery material, JPS, 2012, 74-85". The application mentioned in this paper i ...
个人分类: Batteries|5202 次阅读|5 个评论 热度 1

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