Order-disorder effects on the equation of state for fcc Ni-Al alloys | |
Geng, HY ; Sluiter, MHF ; Chen, NX | |
2010-05-06 ; 2010-05-06 | |
关键词 | CONFIGURATIONAL HEAT-CAPACITY POROUS MATERIALS PHASE-STABILITY DEPENDENCE SYSTEM DIAGRAM Physics, Condensed Matter |
中文摘要 | Order-disorder effects on equation of state (EOS) properties of substitutional binary alloys are investigated with the cluster variation method (CVM) based on ab initio effective cluster interactions (ECI). Calculations are applied to the fcc based system. Various related quantities are shown to vary with concentration around stoichiometry with a surprising "W shape," such as the thermal expansion coefficient, the heat capacity, and the Gruneisen parameter, due to configurational ordering effects. Analysis shows that this feature originates from the dominated behavior of some elements of the inverse of Hessian matrix, and relates to antisite defects occurring around stoichiometric compositions. This kind of strong compositional effects on EOS properties highlights the importance of subtle thermodynamic behavior of order-disorder systems. |
语种 | 英语 ; 英语 |
出版者 | AMERICAN PHYSICAL SOC ; COLLEGE PK ; ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA |
内容类型 | 期刊论文 |
源URL | [http://hdl.handle.net/123456789/15284] |
专题 | 清华大学 |
推荐引用方式 GB/T 7714 | Geng, HY,Sluiter, MHF,Chen, NX. Order-disorder effects on the equation of state for fcc Ni-Al alloys[J],2010, 2010. |
APA | Geng, HY,Sluiter, MHF,&Chen, NX.(2010).Order-disorder effects on the equation of state for fcc Ni-Al alloys.. |
MLA | Geng, HY,et al."Order-disorder effects on the equation of state for fcc Ni-Al alloys".(2010). |
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