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卤代烃的Peng-Robinson状态方程的密度修正

林鸿 , 段远源

工程热物理学报

利用密度平移的方法对Peng-Robinson状态方程计算的液相密度进行了修正,给出了其描述平移量的关联式.对22种卤代烃纯物质的计算结果表明,修正后的PR方程能够很好地计算液相密度,并且能很好地再现纯物质的临界压缩因子,计算精度可以满足工程应用的需要.

关键词: PR状态方程 , 密度漂移 , 卤代烃 , 临界压缩因子

Two-step magnetization in a spin-chain system on the triangular lattice: Wang-Landau simulation

Physical Review B

The Wang-Landau algorithm is used to study the thermodynamic and magnetic properties of triangular spin-chain system based on two-dimensional Ising model in order to understand the magnetic-order dynamics in Ca(3)Co(2)O(6) compound. The calculated results demonstrate that the equilibrium state of the rigid spins produces the two-step magnetization curve at low temperature even when the random-exchange term is considered. This work indicates that the four-step magnetization behavior observed experimentally must be due to the nonequilibrium magnetization.

关键词: calcium compounds;exchange interactions (electron);Ising model;magnetisation;thermodynamics;one-dimensional ca3co2o6;density-of-states;compound ca3co2o6;phase-diagram;proteins;crystal

Ion sputter erosion in metallic glass-A response to "Comment on: Homogeneity of Zr(64.13)Cu(15.75)Ni(10.12)Al(10) bulk metallic glass" by L-Y. Chen, Y-W. Zeng, Q-P. Cao, B-J. Park, Y-M. Chen, K. Hono, U. Vainio, Z-L. Zhang, U. Kaiser, X-D. Wang, and J-Z Jiang J. Mater. Res. 24, 3116 (2009)

Journal of Materials Research

The morphology of the dark and bright regions observed by transmission electron microscopy for the Zr(64.13)Cu(15.75)Ni(10.12)Al(10) bulk metallic glass strongly depends on the ion beam parameters used for ion milling. This indicates that the ion beam could introduce surface fluctuation to metallic glasses during ion milling.

关键词: room-temperature

热致液晶共聚酯60PHB/PEN的热降解动力学研究--(Ⅰ) 非等温热降解动力学

张莉 , 马敬红 , 梁伯润 , 余亦华

高分子材料科学与工程

在氮气氛中采用热重分析的方法对热致液晶共聚酯60PHB/PEN的热降解动力学进行了研究.采用Friedman和Chang两种单一加热速率方法对活化能Ea、反应级数n和频率因子Z等降解反应动力学参数进行了分析.讨论了加热速率和计算方法对热稳定性及降解动力学参数的影响.

关键词: 热致液晶共聚酯 , 热降解 , 动力学 , 热稳定性

第27卷B辑作者索引

金属学报

Volu扣ne 27SeriesB1991AUTHOR INDEX CCAO Guanghan(曹光旱)············……6一B科6CAo weijie(曹卫恋)..················……5一B32oCAO Yilin(曹益林)··················……6一B443CHANG Xin(常听)···············……1一B48CHE Guang邻n(车广灿)·············一6一B科0CHEN Erbao(陈二保)···············……6一B410CHEN Jia....

关键词:

复合材料层合板低速冲击逐渐累积损伤预测方法

徐颖 , 温卫东 , 崔海坡

材料科学与工程学报 doi:10.3969/j.issn.1673-2812.2006.01.020

针对复合材料层板在冲击载荷下,各种损伤的产生和扩展是一个随载荷、时间和空间而演变的过程,发展了复合材料层合板低速冲击逐渐累积损伤预测方法.采用刚度退化技术和改进的Chang-Chang失效准则、显式有限元法来模拟复合材料层合板受到低速冲击下逐渐损伤过程.使用所发展的方法分析了[0m/90n/0m]铺层的复合材料层合板在低速冲击过程中的逐渐损伤扩展,结果表明本文的方法能较好地模拟复合材料层板在低速冲击下的损伤扩展及变形过程,计算结果与实验结果吻合较好;对不同冲击能量下层合板损伤扩展研究表明,冲击能量与分层损伤面积成线性关系.

关键词: 复合材料层合板 , 冲击 , 逐渐累积损伤 , 破坏机理 , 数值模拟

基于低能量冲击损伤阻抗的复合材料薄壁结构铺层顺序设计

张鹏飞 , 金海波

复合材料学报

建立了有效的复合材料层合板结构冲击损伤分析方法,层合板面内损伤采用改进的Chang/Chang失效准则做判据,得到面内各类损伤形式.层间损伤采用与Mixed-Mode粘接元等效的TIEBREAK接触模拟.利用此分析方法,从复合材料薄壁结构设计需要出发,研究了在低能量冲击下,铺层的层间角度、铺层方向、铺层重叠对层合板结构冲击损伤阻抗的影响规律,并对它们的综合影响进行了总体分析,得到了能提高层合板结构损伤阻抗的铺层顺序设计指导.最后用该设计指导对某种铺层结构进行了重新设计和有限元模拟,验证了该设计指导的可行性和有效性.

关键词: 冲击损伤 , 分层损伤 , TIEBREAK接触 , 铺层顺序 , 损伤阻抗

Effect of interstitial hydrogen on cohesive strength of Al grain boundary with Mg segregation

材料科学技术(英)

The effect of interstitial hydrogen on the cohesion of the Al Sigma=11(113) grain boundary (GB) is investigated based on the thermodynamic model of Rice-Wang using the first-principles density function calculation. The results indicate that interstitial H behaves as an embrittler from "strengthening energy" analysis. The reduced GB cohesion due to the presence of H at the GB is attributed to the low affinity between H and Al, and the weakened bonding of Al atomic pairs perpendicular to GB plane.

关键词: hydrogen;grain boundary;Al-Mg alloys;pseudopotentials;1st-principles

Effect of Interstitial Hydrogen on Cohesive Strength of Al Grain Boundary with Mg Segregation

Xiaoguang LIU , Xiaowei WANG

材料科学技术(英)

The effect of interstitial hydrogen on the cohesion of the Al ∑=11(113) grain boundary (GB) is investigated based on the thermodynamic model of Rice-Wang using the first-principles density function calculation. The results indicate that interstitial H behaves as an embrittler from "strengthening energy" analysis. The reduced GB cohesion due to the presence of H at the GB is attributed to the low affinity between H and Al, and the weakened bonding of Al atomic pairs perpendicular to GB plane.

关键词: Hydrogen , null , null

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