Jun Wei
材料科学技术（英文）
The thermal features of the nanograin boundary were described by a developed thermodynamic model. Using the nanocrystalline Cu as an example, the pressure, the bulk modulus, and the volume thermal expansion coefficient were calculated to characterize the thermodynamic properties of the grain boundaries on the nanoscale. Based on the parabola-type relationship between the excess free energy and the excess volume of the nanograin boundary, the thermal stability, as well as its evolution characteristics, was analyzed. The experimental results of the temperature-varying grain growth in the nanocrystalline Cu, which exhibited the discontinuous nanograin growth behavior, verified the thermodynamic predictions. In addition, the quantitative relationships correlating the excess volume and the lattice expansion with the nanograin size were discussed.
关键词:
Thermodynamic properties
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Yasemin Oztekin Ciftci
材料科学技术（英文）
To understand deeply the structural, elastic and thermodynamic characteristics of Al2X (X= Sc, Y) compounds in C15 type (space number 227) Cu2Mg structure, we have performed ab-initio density functional theory within the local density approximation (LDA) and the generalized gradient approximation (GGA). The thermodynamic properties of the considered structures are obtained through the quasi-harmonic Debye model. We have presented the results on the basic physical parameters, such as the lattice constant, bulk modulus, pressure derivative of bulk modulus, second-order elastic constants, Zener anisotropy factor, Poisson's ratio, Young's modulus, and isotropic shear modulus. In order to gain further information, the pressure- and temperature-dependent behaviour of the volume, bulk modulus, thermal expansion coefficient, heat capacity, entropy, Debye temperature and Gruneisen parameter were also evaluated over a pressure range of 0-20 GPa for Al2Sc and 0-17 GPa for Al2Y compound and a wide temperature range of 0-2000 K for both compounds. The obtained results were compared with the other reported values.
关键词:
Inter metallic compounds
袁都奇
低温物理学报
在定义特征长度的基础上,应用Euler-MacLaurin公式,研究了三维简谐势阱中有限理想Fermi气体的热力学性质.给出了具有有限尺度效应修正的化学势、内能、压强张量与状态方程和热容量的解析表达式,分另就强简并和弱简并的情况进行了讨论.揭示了简谐势阱中有限尺度效应的实质以及与处于D维容器中的不同,指出了简谐势阱中的有限尺度效应使得热力学量减小,压强的各向同性(或各向异性)取决于简谐势的各向同性(或各向异性),T=0K时费米能和基态内能在满足一定边界条件时分别存在一个极大值.
关键词:
有限尺度效应
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理想Fermi气体
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热力学性质
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简谐势阱
