金属脱氧反应及氧化物夹杂二步形核机理
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- 英文论文题名：The metal-deoxidation reaction and a two-step nucleation mechanism of oxide inclusions in molten steel
- 论文作者：田钱仁 ; 王国承 ; 肖远悠
- 英文论文作者：Tian Qianren ; Wang Guocheng ; XiaoYuanyou ; School of Materials and Metallurgy ; University of Science and Technology Liaoning
- 年：2016
- 作者机构：辽宁科技大学材料与冶金学院;
- 论文关键词：脱氧 ; 夹杂物 ; 介尺度 ; 亚稳相 ; 二步形核
- 英文论文关键词：deoxidation ; inclusion ; mesoscale ; metastable phase ; two-step nucleation
- 会议召开时间：2016-05-19
- 会议录名称：第十九届（2016年）全国炼钢学术会议大会报告及论文摘要集
- 语种：中文
- 分类号：TF701.1
- 学会代码：ZGJS
- 会议名称：第十九届（2016年）全国炼钢学术会议
- 会议地点：中国湖南长沙
- 主办单位：中国金属学会炼钢分会
- 学会名称：中国金属学会
- 页数：2
- 文件大小：111k
- 原文格式：O
- 会议级别：全国
摘要
实验表明,钢液用金属(如铝、硅)脱氧反应难以达到生成固体氧化物夹杂的热力学平衡状态,即脱氧产物不能完全转变为最稳定结构的晶体或固体氧化物夹杂,部分脱氧产物以稳定性低于氧化物夹杂的亚稳相形式存在。亚稳相是熔体中处于原子与夹杂物颗粒尺度之间的介尺度物相,同时其结构也是介于液态(包括无定型)与稳定的固态(包括晶体)结构之间的演变状态。利用第一性原理对亚稳相进行结构优化和热力学计算,计算发现亚稳相恰好与脱氧后体系中的脱氧剂和氧元素含量达到平衡。脱氧过程中夹杂物形核服从二步机理,第一步为脱氧剂原子与氧反应生成团簇;第二步为团簇聚集成核,该过程涉及团簇的扩散和类液态结构向固态或晶体结构的转变行为。在钢液降温凝固过程中,亚稳相进一步晶化形成的二次夹杂。
Many experiments and industrial practices show that it is hard to achieve the thermodynamic equilibrium during metal deoxidization reaction to form solid inclusions in liquid steel.The deoxidizing products cannot transform completely into the most stable structure of crystal or solid inclusions,possibly to form the metastable phase whose stability is lower than that of solid crystal.The metastable phase may be mesoscale phase,the size of which is between atoms and macroscopic particles,while the structure is in the evolution state from liquid(including amorphous state) to stable solid(including crystalline state).The computation by first principles shows that the mesoscale metastable phase in deoxidation system includes oxide clusters that formed with deoxidizer atoms and oxygen and aggregates before nucleation,critical nucleus and nano-sized oxide inclusions after nucleation.The structures and thermodynamic properties of metastable phase has been computed by first principles and The computation of equilibrium thermodynamics shows that the metastable phase is in equilibrium with deoxidizer and oxygen in the deoxidation system.The nucleation of inclusions during deoxidation is done in two steps.The first step is the reaction between deoxidizer atoms and oxygen to form clusters.The second step is the aggregation of clusters into nucleus that includes the diffusion of clusters and the transformation behavior of liquid-like into solid or crystal.The secondary inclusions will produced when metastable phase transform into crystal at the solidification process of liquid steel.
Many experiments and industrial practices show that it is hard to achieve the thermodynamic equilibrium during metal deoxidization reaction to form solid inclusions in liquid steel.The deoxidizing products cannot transform completely into the most stable structure of crystal or solid inclusions,possibly to form the metastable phase whose stability is lower than that of solid crystal.The metastable phase may be mesoscale phase,the size of which is between atoms and macroscopic particles,while the structure is in the evolution state from liquid(including amorphous state) to stable solid(including crystalline state).The computation by first principles shows that the mesoscale metastable phase in deoxidation system includes oxide clusters that formed with deoxidizer atoms and oxygen and aggregates before nucleation,critical nucleus and nano-sized oxide inclusions after nucleation.The structures and thermodynamic properties of metastable phase has been computed by first principles and The computation of equilibrium thermodynamics shows that the metastable phase is in equilibrium with deoxidizer and oxygen in the deoxidation system.The nucleation of inclusions during deoxidation is done in two steps.The first step is the reaction between deoxidizer atoms and oxygen to form clusters.The second step is the aggregation of clusters into nucleus that includes the diffusion of clusters and the transformation behavior of liquid-like into solid or crystal.The secondary inclusions will produced when metastable phase transform into crystal at the solidification process of liquid steel.
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