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; 要:采用基于CALPHAD法的热力学模拟对Al-xSi-yCu-zMg半固态高硅铝合金进行合金成分的优化设计.实验以元素Si,Cu,Mg为因变量,对Al-Si-Cu-Mg四元高硅铝合金进行热力学模拟,并用DSC测试分析验证模拟结果,对合金成分进行了优化.结果表明:Cu,Mg是合金设计的两个关键元素,能显著影响液相体积分数对温度的敏感度以及温度间隔,而Si元素对其影响较小.结合半固态合金热力学设计判据,Al-17Si-4.5Cu-1.5Mg,Al-17Si-5Cu-1Mg和Al-17Si-4Cu-2Mg是较理想的半固态触变成形用高硅铝合金. 关键词:高硅铝合金；CALPHAD方法；半固态触变成形 中图分类号:TG113.14 文献标志码:A 金属半固态触变成形是一种......
Cr-Ni-Ru三元体系相图的高通量测定为例,展示高效测定二元,三元相图的扩散多元节方法.基于相图计算(Calculation of phase diagrams, CALPHAD)方法,以 Cr-Ru二元体系和Cr-Ni-Ru三元体系的热力学优化为例,阐述Cr-Ni-Ru三元体系热力学数据库建立的具体流程,分析当前镍基高温合金研究效率低下的原因.结果表明:快速建立与定量预测材料成分,相,组织,性能关系的高通量实验和计算方法是促进未来镍基高温合金研究发展的重点. 关键词:镍基高温合金；扩散多元节；高通量方法； CALPHAD方法；相图；热力学优化 中图分类号:TG113.14 文献标志码:A High-throughput experimental determination and thermodynamic assessment......
Designing a high Si reduced activation ferritic/martensitic steel for nuclear power generation by using Calphad methodChao Liu1,2,Quanqiang Shi1,Wei Yan3,Chunguang Shen3,Ke Yang1,Yiyin Shan1,Mingchun... structure application is successfully designed by using Calphad method. The main designed chemical composition is C 0.18–0.22%, Cr10.0–10.5%, W 1.0–1.5%, Si 1.0–1.3%, V+Ta 0.30–0.45%, and Fe in balance......
-Yb binary system was carried out using the CALPHAD (calculation of phase diagrams) method. The liquid phase is modeled as the associate model with the constituent species Ni, Yb and YbNi3, owing..., the thermochemical properties and the phase boundary data can be well reproduced. Key words: Ni-Yb system; thermodynamic assessment; CALPHAD technique 1 Introduction During the last few decades......
diagram study as well as the calculation of phase diagram(CALPHAD) approach in the lead-free solder alloy design are discussed. Based on CALPHAD approach two potential lead-free solder alloys, i.e., the Sn...-free solder; phase diagram; CALPHAD Pb-Sn合金具有较低的熔化温度, 而且价格低廉, 作为焊接材料使用已有相当长的历史......
耦合CALPHAD的微观相场中Ni-Al与Ni-Si合金原子时效模拟张栩煜,赵彦,鲁晓刚上海大学材料科学与工程学院摘 要:通过结合微观相场及计算相图方法,拟合得到L12结构中第一,第二近邻原子间交互作用能,进而模拟了Ni-Al,Ni-Si二元合金在γ→γ’相变过程中的合金原子簇聚及有序化行为.模拟结果得出,当Al或Si的原子分数为17.5%时,随着时效温度的升高,L12相析出孕育期更长;同时,有序化总是先于溶质原子的簇聚,形成非化学计量比有序相;借助计算相图,可将微观相场方法应用于更多二元体系的γ→γ’型相变研究.关键词:CALPHAD;时效温度;微观相场;L12结构;......
FCC无序合金混合能的第一性原理计算及CALPHAD三元外推模型的比较代敏敏,鲁晓刚摘 要:通过建立特殊准随机结构(SQS),采用第一性原理VASP程序,分别对fcc Co-NiX (X=Al,Cr,Re)三元无序合金及其相应子二元合金进行了第一性原理计算.通过Matlab软件,分别采用Muggianu模型,Kohler模型,Toop模型与Chou模型,将SQS计算所得二元系混合能外推得到三元合金的混合能曲线,并与第一性原理计算结果进行比较.结果表明:通过Chou模型外推得到的三元合金的混合能与第一性原理计算值吻合得最好,对于三元系甚至多元系热力学性质的外推,Chou模型能够得到更加合理准确的结果.关键词:第一性原理;特殊准随机结构(SQS);混合能;Muggianu模型;Kohler模......
系中bcc相的A2-B2有序-无序转变, bcc相的Gibbs自由能采用双亚点阵模型进行描述. 利用CALPHAD(相图计算)方法评估了Cu-Ni-Sn三元系各相的热力学参数, 计算的富Cu侧相图和热力学性质与实验数据比较一致. 并对该三元系中bcc相的A2-B2有序-无序转变及fcc相的溶解度间隙进行了计算. 这些计算结果对利用析出强化以及Spinodal分解开发高强度和高导电性的新型Cu基合金... assessment of the Cu-Ni-Sn ternary system was carried out by the CALPHAD (calculation of phase diagrams) method. The Gibbs free energies of liquid and fcc phases were described by the subregular solution......
December 2009; accepted 8 April 2010 Abstract: The phase evolution in (88%-91%)Mg-8%Sn-1%Zn-X (X=Al, Mn and/or Ce) system was analyzed via CALPHAD method and simulations were used in precise... in inhibiting grain growth. The effects of alloying elements on Vickers microhardness and indentation size effect of base alloy were examined. Key words: magnesium alloys; alloying elements; CALPHAD......
out using the CALPHAD method through Thermo-calc? software package based on the evaluation of all available experimental data from the published literature. The solution phases, including liquid, hcp...; CALPHAD method; Mg-Ga binary system ......
