采用单辊旋淬法制备了Cu45Zr42.55Y3.45Al9非晶合金,差示扫描量热分析手段(DSC)研究了该非晶合金晶化动力学性能.采用Ozawa,Kissinger及Augis-Bennett方法计算了Cu45Zr42.55Y3.45Al9非晶合金晶化激活能,得到第一晶化峰值激活能1pE分别是...采用单辊旋淬法制备了Cu45Zr42.55Y3.45Al9非晶合金,差示扫描量热分析手段(DSC)研究了该非晶合金晶化动力学性能.采用Ozawa,Kissinger及Augis-Bennett方法计算了Cu45Zr42.55Y3.45Al9非晶合金晶化激活能,得到第一晶化峰值激活能1pE分别是385.8,393.5,396.0 k J·mol-1.发现Cu45Zr42.55Y3.45Al9合金具有很好的热稳定性.展开更多
The atomic and electronic structures of amorphous CuxZr100-x(x=36,46,50,56,64) alloys were simulated using first-principle calculations within a 400-atom supercell.The pair correlation function,coordination numbers,lo...The atomic and electronic structures of amorphous CuxZr100-x(x=36,46,50,56,64) alloys were simulated using first-principle calculations within a 400-atom supercell.The pair correlation function,coordination numbers,local cluster structures and electronic density of states were analyzed.Reasonable agreements between the theory and the experiments were obtained.The amorphous alloys exhibit different local cluster structures and can all be explained with cluster formulas [cluster](glue)1,3,where the clusters are derived from known Cu-Zr compounds.There is always a pseudogap in the density of state at the Fermi level.展开更多
文摘采用单辊旋淬法制备了Cu45Zr42.55Y3.45Al9非晶合金,差示扫描量热分析手段(DSC)研究了该非晶合金晶化动力学性能.采用Ozawa,Kissinger及Augis-Bennett方法计算了Cu45Zr42.55Y3.45Al9非晶合金晶化激活能,得到第一晶化峰值激活能1pE分别是385.8,393.5,396.0 k J·mol-1.发现Cu45Zr42.55Y3.45Al9合金具有很好的热稳定性.
基金supported by the National Basic Research Program of China (Grant No 2007CB613902)the National Natural Science Foundation of China (Grant Nos 50901012 and 50631010)
文摘The atomic and electronic structures of amorphous CuxZr100-x(x=36,46,50,56,64) alloys were simulated using first-principle calculations within a 400-atom supercell.The pair correlation function,coordination numbers,local cluster structures and electronic density of states were analyzed.Reasonable agreements between the theory and the experiments were obtained.The amorphous alloys exhibit different local cluster structures and can all be explained with cluster formulas [cluster](glue)1,3,where the clusters are derived from known Cu-Zr compounds.There is always a pseudogap in the density of state at the Fermi level.
