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液态Ca_7Mg_3合金快速凝固过程中团簇结构的形成特性 被引量:13
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作者 高廷红 刘让苏 +2 位作者 周丽丽 田泽安 谢泉 《物理化学学报》 SCIE CAS CSCD 北大核心 2009年第10期2093-2100,共8页
采用分子动力学方法对液态Ca7Mg3合金凝固过程中团簇结构的形成特性进行了模拟研究.采用双体分布函数、Honeycutt-Andersen(HA)键型指数法、原子团类型指数法(CTIM)以及遗传跟踪等方法对凝固过程中团簇结构的形成演变特性进行了分析.结... 采用分子动力学方法对液态Ca7Mg3合金凝固过程中团簇结构的形成特性进行了模拟研究.采用双体分布函数、Honeycutt-Andersen(HA)键型指数法、原子团类型指数法(CTIM)以及遗传跟踪等方法对凝固过程中团簇结构的形成演变特性进行了分析.结果表明:在以冷速为1×1012K·s-1的快速凝固条件下,系统形成以1551、1541、1431键型为主的非晶态结构;二十面体基本原子团(120120)在快速凝固过程中对非晶态结构的形成起决定性作用;在合金凝固过程中,团簇的稳定性不仅与构成团簇的基本原子团类型有关,还与中心原子类型以及中心原子之间的连接方式有关.由于(120120)基本原子团能量较低并且在低温具有较好的遗传特性,基本原子团之间很容易连接在一起组成更大的团簇.所形成的团簇结构显著不同于那些由气相沉积、离子溅射等方法所获得的团簇结构. 展开更多
关键词 分子动力学模拟 液态Ca7Mg3合金 凝固过程 原子团类型指数法 团簇结构
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Mechanism of debismuthizing with calcium and magnesium 被引量:1
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作者 路殿坤 金哲男 +1 位作者 畅永锋 孙树臣 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2013年第5期1501-1505,共5页
In order to further understand the debismuthizing mechanism with calcium and magnesium, the influence of adding amount of calcium on the bismuth removal from lead was examined. A part of the debismuthizing dross sampl... In order to further understand the debismuthizing mechanism with calcium and magnesium, the influence of adding amount of calcium on the bismuth removal from lead was examined. A part of the debismuthizing dross samples were studied by electron probe microanalysis (EPMA). The results show that the calculated bismuthide governing debismuthizing process is Ca3Mg7Bi8, which may be a mixture of Ca3Bi2, CaBi, CaBi3 and Mg3Bi2. And the bismuthide formed during the debismuthizing process exists in two states: one is free bismuthide in the matrix of dross, and the other is symbiotic with Pb-Ca phase. 展开更多
关键词 debismuthizing mechanism Kroll-Betterton process Ca3Mg7Bi8 Pb-Ca phase Bi-Ca-Mg phase
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Evolutions of Microclusters of Biodegradable Mg_3Ca_7 Potential Medical Implant Alloy
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作者 ZHOU Li-li ZHOU Yan-hong +2 位作者 PENG You-lin TIAN Ze-an LIU Rang-su 《Chinese Journal of Biomedical Engineering(English Edition)》 CSCD 2015年第3期109-113,共5页
The molecular dynamics simulation calculation on the microclusters evolution properties of liquid Mg3Ca7 during the rapid solidifications has been performed. Results indicated that the icosahedron mieroeluster played ... The molecular dynamics simulation calculation on the microclusters evolution properties of liquid Mg3Ca7 during the rapid solidifications has been performed. Results indicated that the icosahedron mieroeluster played key role in the glass transition which happened at about 600 K; it suggests that the formation and evolution mechanism of ieosahedral order is important for the corrosion resistance of medical implant material of Mg- and Mg-Ca based alloys. It is also found that the icosahedron structure is unstable in the liquid and supercooled liquid until the glass transition occurs. 展开更多
关键词 mierocluster biomaterial molecular dynamics simulation mg3ca7 alloy BIODEGRADABLE
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