锆基材料的第一性原理模拟与实验研究

来源 :第十三届国际凝聚态理论与计算材料学会议(The 13th International Conference on Con | 被引量 : 0次 | 上传用户：shichangyou1982

【摘要】

：

锆及其合金具有中子吸收截面小、抗辐照、耐腐蚀等特点,在核工业和化工业中具有非常重要的应用价值.但除此之外,锆合金在结构材料等其它领域几乎没有任何应用.由于具有抗辐照和良好的耐腐蚀性等特点,锆合金作为结构材料在航天机构活动件和废水、废气、废化学液体等处理方面具有重要的应用潜力和巨大的需求.基于第一性原理方法,本课题对锆及其化合物的力学性质、电子结构、相变以及热力学性质等开展了较为系统的研究工作.

【作者】

：

张新宇

【机构】

：

燕山大学亚稳材料制备技术与科学国家重点实验室,中国秦皇岛,066004

【出处】

：

第十三届国际凝聚态理论与计算材料学会议(The 13th International Conference on Con

【发表日期】

：

2014年8期

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锆基材料的第一性原理模拟与实验研究

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