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国家自然科学基金(50671009)

作品数:7 被引量:10H指数:2
相关作者:杜振民李长荣静永娟王福明宋月鹏更多>>
相关机构:北京科技大学山东农业大学中国科学院更多>>
发文基金:国家自然科学基金国家教育部博士点基金更多>>
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7 条 记 录,以下是 1-10
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Al-Cu合金GP区的价电子结构与界面能被引量:6
2007年
考虑温度对点阵常数的影响,运用固体经验电子理论,在实验时效温度区间,对Al-Cu合金GP区的价电子结构进行计算,并在此基础上计算了GP区与基体间的界面能。计算得到的价电子成键结果表明,Al原子和Cu原子之间的结合倾向最大,在时效过程中,Al和Cu原子容易以GP区形式出现;GP区有较强的共价键络,是Al-Cu合金时效硬化的重要原因;GP区与基体间的共格界面能较低,是GP区生长的有利条件。
静永娟李长荣杜振民王福明宋月鹏
关键词:GP区价电子结构界面能
Al-Ag合金η型GP区的强化作用和界面能分析被引量:3
2007年
考虑温度对晶格常数的影响,运用固体与分子经验电子理论,对Al-Ag合金的η型GP区的价电子结构进行计算;在此基础上,运用Becker推广模型,对该体系的η型GP区与基体之间的界面能进行预测。从计算得到的各种价电子成键结果中发现,η型GP区的Ag-Ag原子之间的结合倾向最大,表明时效过程中,Ag原子容易以η型GP区的形式出现偏聚;与原合金的均相过饱和固溶体相比,η型GP区有较强的共价键络,是Al-Ag合金时效硬化的重要原因;η型GP区与基体的共格界面能较基体晶粒间的界面能低,是η型GP区形成和生长的有利条件,同时计算结果体现了温度对界面能的影响。
静永娟李长荣杜振民王福明
关键词:价电子结构界面能
Thermodynamic modeling of the Ge-La binary system
The Ge-La binary system was critically assessed by means of the CALculation of PHAse Diagram(CALPHAD) techniqu...
刘妙李长荣杜振民郭翠萍牛春菊
Thermodynamic assessment of the Bi-Mg binary system被引量:1
2012年
The Bi-Mg binary system had been assessed by adopting the ionic melt and the modified quasi-chemical models to describe the liquid phase with short range ordering behavior. In general considerations of the development of the thermodynamic database of the multi-component Mg-based alloys and the consistency of the thermodynamic models of the related phases, the Gibbs energy descriptions of all the phases in the Bi-Mg binary system were reasonably re-modeled and critically re-assessed in the present work. Especially for the liquid phase, the associate model was used with the constituent species Bi, Mg and Bi2Mg3. The Mg-rich terminal phase hcp_A3 was modeled as a substitutional solution following Redlich-Kister equation and the Bi-rich terminal phase Rhombohedral_A7 was treated as a pure Bi substance since the extremely small solubility of Mg in Bi. The low and high temperature non- stoichiometric compounds β-Bi2Mg3 and α-Bi2Mg3 were described by the sublattice models (Bi,Va)2Mg3 and (Bi)1(Bi,Va)3Mg6 respectively based on their structure features. A set of self-consistent thermodynamic parameters of the Bi-Mg system was obtained and the experimental thermodynamic and phase equilibrium data were well reproduced by the optimized thermodynamic data.
Chunju NIUChangrong LIZhenmin DUYongjuan JING
关键词:吉布斯自由能化学模型热力学模型非化学计量相平衡数据热力学参数
Thermodynamic assessment of the liquid phase of the Mg-Bi binary system
The Mg-Bi binary was optimized by many authors in the past years.But they adopted the Ionic Melt and the Modif...
牛春菊李长荣杜振民郭翠萍刘妙
Thermodynamic modeling of the Ge-La binary system
2012年
The Ge-La binary system was critically assessed by means of the calculation of phase diagram (CALPHAD) technique. The associate model was used for the liquid phase containing the constituent species Ge, La, Ge 3 La 5 , and Ge 1.7 La. The terminal solid solution diamond-(Ge) with a small solubility of La was described using the substitutional model, in which the excess Gibbs energy was formulated with the Redlich-Kister equation. The compounds with homogeneity ranges, α(Ge 1.7 La), β(Ge 1.7 La), and (GeLa), were modeled using two sublattices as α(Ge,La) 1.7 La, β(Ge,La) 1.7 La, and (Ge,La)(Ge,La), respectively. The intermediate phases with no solubility ranges, Ge 4 La 5 , Ge 3 La 4 , Ge 3 La 5 , and GeLa 3 , were treated as stoichiometric compounds. The three allotropic modifications of La, dhcp-La, fcc-La, and bcc-La, were kept as pure element phases since no solubility of Ge in La was reported. A set of self-consistent thermodynamic parameters of the Ge-La binary system was obtained. The calculation results agree well with the available experimental data from literatures.
Miao LiuChang-rong LiZhen-min DuCui-ping GuoChun-ju Niu
关键词:吉布斯自由能热力学参数化学计量
Study on the interfacial reactions of Ti/AIN joints被引量:1
2008年
基于在关节的不同类型之间的 Ti-Al-N 第三的系统,界面的反应和阶段形成序列的阶段平衡计算,( Ti 矩阵)/( AlN 粒子),( Ti 粒子)/( AlN 板),并且( Ti 板)/( AlN 板),在报导试验性的条件下面理论上被分析。为三种 Ti/AlN 关节的不同阶段形成序列被获得。它证明不同阶段两个定序阶段形成序列,明显的空间阶段序列被相对数量和二对的分发在散开夫妇统治。理论预言能解释试验性的观察很好。
GAO Jie LI Changrong WANG Na DU Zhenmin
关键词:界面应力化学元素
大气腐蚀过程阶段发展特征
大气腐蚀使金属产品表面状态变质、外观品质下降和表面加工成本增加,因而受到越来越多生产者的关注。液相形态是影响大气腐蚀发生与发展过程的决定性因素,气相和金属材料对大气腐蚀过程影响也只能通过液相来实现。近期研究表明,金属表面...
王佳
关键词:大气腐蚀腐蚀电化学
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Thermodynamic modeling of the Ba-Mg binary system
On the basis of the thermochemical and phase equilibrium experimental data,the phase diagram of the Ba-Mg bina...
任欣李长荣郭翠萍杜振民刘妙
Thermodynamic Assessments of Six Binary Systems of Alkali Metals
The computational thermodynamic descriptions of six binary systems composed of alkali metals, Sodium,Potassium...
任欣李长荣杜振民郭翠萍陈思成
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