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Mg_3MNi_2(M=A1,Ti)的晶体结构与电子性能原子模拟研究 被引量:1
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作者 邓永和 《原子与分子物理学报》 CAS CSCD 北大核心 2011年第4期737-742,共6页
利用元素取代Mg_2Ni合金的部分Mg后得到Mg_3MNi_2(M=Al,Ti)合金.计算得到的Mg_2Ni和Mg_3MNi_2(M=Al,Ti)的晶格常数和实验一致,研究了Mg_3MNi_2(M=Al,Ti)的电子性能和储氢性能的关系,结果表明:Mg_2Ni合金中Al和Ti部分取代Mg形成新的合金M... 利用元素取代Mg_2Ni合金的部分Mg后得到Mg_3MNi_2(M=Al,Ti)合金.计算得到的Mg_2Ni和Mg_3MNi_2(M=Al,Ti)的晶格常数和实验一致,研究了Mg_3MNi_2(M=Al,Ti)的电子性能和储氢性能的关系,结果表明:Mg_2Ni合金中Al和Ti部分取代Mg形成新的合金Mg_3MNi_2(M=Al,Ti)后,Mg和Al、Ti之间形成共价键.从晶体结构特征和电子性能等方面分析预测了Mg_3MNi_2(M=Al,Ti)合金比Mg_2Ni合金具有较低的吸、放氢温度. 展开更多
关键词 原子模拟 Mg3MNi2(M=Al ti)储氢合金 晶体结构 态密度 电荷密度
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Microstructure and hydrogen storage properties of as-cast and rapidly solidified Ti-rich Ti-V alloys 被引量:3
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作者 Suwarno SUWARNO Jan Ketil SOLBERG +7 位作者 Jan Petter MAEHLEN Bente KROGH Bφrre Tore BφRRESEN Esther OCHOA-FERNANDEZ Erling RYTTER Mario WILLIAMS Roman DENYS Volodymyr A.YARTYS 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2012年第8期1831-1838,共8页
The goal of the present work was to optimize the phase-structural composition and microstructure of binary Ti0.8-0.9V0.2-0.1 alloys with respect to their hydrogen sorption properties. Application of these alloys is fo... The goal of the present work was to optimize the phase-structural composition and microstructure of binary Ti0.8-0.9V0.2-0.1 alloys with respect to their hydrogen sorption properties. Application of these alloys is for hydrogen absorption from gaseous mixtures containing substantial amounts of carbon monoxide (CO) at high temperatures. Irrespective of alloy composition, both α(HCP) and β(BCC) phases in Ti0.8-0.9V0.2-0.1 formed single phase FCC hydrides upon hydrogenation in pure H2. An in situ synchrotron X-ray diffraction study showed that only the β-phase transformed to the corresponding hydride when the alloy was hydrogenated in a mixture of H2+10%CO. Rapid solidification (RS) of the alloy resulted in refined grain sizes both in the Ti0.8V0.2 and Ti0.9V0.1 alloys. Furthermore, RS was found to increase the β-phase fraction in Ti0.9V0.1, being twice larger than that of the as-cast alloy. Ti0.9V0.1 had a platelike microstructure as observed by scanning electron microscopy (SEM), the plates were about 300 nm thick. The microstructure refinement resulted in a faster kinetics of H desorption as observed by temperature desorption spectroscopy (TDS). 展开更多
关键词 hydrogen storage ti-V alloys rapid solidification synchrotron X-ray diffraction carbon monoxide
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