통합 검색 | Korea Science

Ru-Ting Liang;Tao Bo;Wan-Qiu Yin;Chang-Ming Nie;Lei Zhang;Zhi-Fang Chai;Wei-Qun Shi
- Nuclear Engineering and Technology
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- 제55권7호
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- pp.2556-2566
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- 2023
A first-principle approach within the framework of density functional theory was employed to study the effect of vacancy defects and fission products (FPs) doping on the mechanical, electronic, and thermodynamic properties of uranium monocarbide (UC). Firstly, the calculated vacancy formation energies confirm that the C vacancy is more stable than the U vacancy. The solution energies indicate that FPs prefer to occupying in U site rather than in C site. Zr, Mo, Th, and Pu atoms tend to directly replace U atom and dissolve into the UC lattice. Besides, the results of the mechanical properties show that U vacancy reduces the compressive and deformation resistance of UC while C vacancy has little effect. The doping of all FPs except He has a repairing effect on the mechanical properties of U_1-xC. In addition, significant modifications are observed in the phonon dispersion curves and partial phonon density of states (PhDOS) of UC_1-x, Zr_xU_1-xC, Mo_xU_1-xC, and Rh_xU_1-xC, including narrow frequency gaps and overlapping phonon modes, which increase the phonon scattering and lead to deterioration of thermal expansion coefficient (α_V) and heat capacity (C_p) of UC predicted by the quasi harmonic approximation (QHA) method.
https://doi.org/10.1016/j.net.2023.04.012 인용 PDF

최병익;이학주;한승우;김창욱;차정환;김정태;지병하
- 연구논문집
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- 통권29호
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- pp.91-99
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- 1999
Fatigue crack growth behaviors of Cr-Mo steels developed recently for thick-wall pressure vessel were investigated. Experiments in accordance with ASTM E647 standard were performed for 1/2 inch CT specimens of $2^(1/4)$Cr-1Mo and 3Cr-IMo steels in gaseous environments, hydrogen gas of 10 atm, 1 atm and argon gas of 1 atm. Fatigue crack growth rates were observed and effects of gaseous hydrogen and argon on the crack growth behavior were discussed.
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김휘수;하현우
- EDISON SW 활용 경진대회 논문집
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- 제3회(2014년)
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- pp.478-482
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- 2014
Graphene have renewed considerable interest in inorganic, two-dimensional materials for future electronics. However, graphene does not have a bandgap, it is limited to apply directly to transistors and logic devices. Hence, other layered materials such as molybdenum disulphide ($MoS_2$) have been investigated to address this challenge. Here, we find that the nature of contacts plays a more important role than the semiconductor itself. In order to understand the nature of $MoS_2$/metal contacts, we perform density functional theory electronic structure calculations based on linear combination of atomic for the geometry, bonding, binding energy, PDOS, LDOS and electronic structure. We choose Au as a contact metal because it is the most common contact metal. In this paper, we demonstrate $MoS_2$/Au contacts have a more promising potential in flexible nanoelectronics than $MoS_2$ itself.
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