• 대한화학회지
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• 제53권3호
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• pp.266-271
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• 2009

고체 화합물 La7Os4C9 속에 있는 [Os4C9]21‑ 사슬의 전자구조와 화학결합을 extended Hückel 계산 결과에 의해서 논의하였다. 탄소 원자는 물론 (C2)2‑ 분자의 결합 특성은 비교적 큰 Os-C 상호작용을 나 타내었고 특히 (C2)2‑ 분자의 결합길이 증가는 Fermi level 바로 아래에 Os-C2(1 πg) 결합 밴드의 존재로 인 해서 반결합 1πg 오비탈에 부분적인 전자점유가 일어나기 때문인 것으로 해석된다.

• Nuclear Engineering and Technology
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• 제35권4호
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• pp.356-368
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• 2003

Material properties such as coolant specific heat, film heat transfer coefficient, cladding thermal conductivity, surface diffusion coefficient of the multi-bubble are improved in MACSIS-Mod1. The axial power and flux profile module was also incorporated with irradiation history. The performance and feasibility of the updated driver fuel pin have been analyzed for nominal parameters based on the conceptual design for the KALIMER breakeven core by MACSIS-MOD1 code. The fuel slug centerline temperature takes the maximum at 700mm from the bottom of the slug in spite of the nearly symmetric axial power distribution. The cladding mid-wall and coolant temperatures take the maximum at the top of the pin. Temperature of the fuel slug surface over the entire irradiation life is much lower than the fuel-clad eutectic reaction temperature. The fission gas release of the driver fuel pin at the end of life is predicted to be $68.61\%$ and plenum pressure is too low to cause cladding yielding. The probability that the fuel pin would fail is estimated to be much less than that allowed in the design criteria. The maximum radial deformation of the fuel pin is $1.93\%$, satisfying the preliminary design criterion ($3\%$) for fuel pin deformation. Therefore the conceptual design parameters of the driver fuel pin for the KALIMER breakeven core are expected to satisfy the preliminary criteria on temperature, fluence limit, deformation limit etc.

• Tribology and Lubricants
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• 제17권4호
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• pp.267-275
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• 2001

Friction and wear properties of brake friction materials containing different metal fibers (Al, Cu or Steel fibers) were investigated. Based on a simple experimental formulation, friction materials with the same amount of metal fibers were tested using a pad-on-disk type friction tester. Two different materials (gray cast iron and aluminum metal matrix composite (MMC)) were used for disks rubbing against the friction materials. Results front ambient temperature tests revealed that the friction material containing Cu fibers sliding against gray cast iron disk showed a distinct negative $\mu$-v (friction coefficient vs. sliding velocity) relation implying possible stick-slip generation at low speeds. The negative $\mu$- v relation was not observed when the Cu-containing friction materials were rubbed against the Al-MMC counter surface. Elevated temperature tests showed that the friction level and the intensity of friction force oscillation were strongly affected by the thermal conductivity and melting temperature of metallic ingredients of the friction couple. Friction materials slid against cast iron disks exhibited higher friction coefficients than Al-MMC (metal matrix composite) disks during high temperature tests. On the other hand, high temperature test results suggested that copper fibers in the friction material improved fade resistance and that steel fibers were not compatible with Al-MMC disks showing severe material transfer and erratic friction behavior during sliding at elevated temperatures.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2013년도 제45회 하계 정기학술대회 초록집
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• pp.285-285
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• 2013

Recently, hexagonal boron nitride (h-BN), which is III-V compound of boron and nitride by strong covalent sp2 bonds has gained great interests as a 2 dimensional insulating material since it has honeycomb structure with like graphene with very small lattice mismatch (1.7%). Unlike graphene that is semi-metallic, h-BN has large band gap up to 6 eV while providing outstanding properties such as high thermal conductivity, mechanical strength, and good chemical stability. Because of these excellent properties, hBN can potentially be used for variety of applications such as dielectric layer, deep UV optoelectronic device, and protective transparent substrate. Low pressure and atmospheric pressure chemical vapor deposition (LPCVD and APCVD) methods have been investigated to synthesize h-BN by using ammonia borane as a precursor. Ammonia borane decomposes to polyiminoborane (BHNH), hydrogen, and borazine. The produced borazine gas is a key material that is a used for the synthesis of h-BN, therefore controlling the condition of decomposed products from ammonia borane is very important. In this paper, we optimize the decomposition of ammonia borane by investigating temperature, amount of precursor, and other parameters to fabricate high quality monolayer h-BN. Synthesized h-BN is characterized by Raman spectroscopy and its absorbance is measured with UV spectrophotometer. Topological variations of the samples are analyzed by atomic force microscopy. Scanning electron microscopy and Scanning transmission Electron microscopy are used for imaging and analysis of structures and surface morphologies.

• Nuclear Engineering and Technology
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• 제53권2호
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• pp.592-602
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• 2021

Thorium compounds have attracted immense scientific and technological attention with regard to both fundamental and practical implications, owing to unique chemical and physical properties like high melting point, high density and thermal conductivity. Hereby, we investigate the mechanical and thermodynamic stability and report on the structural, electronic and magnetic properties of new silicon-doped cubic ternary thorium phosphides ThSi_xP_1-x (x = 0, 0.25, 0.5, 0.75 and 1). The first-principles density functional theory procedure was adopted within full-potential linearized augmented plane wave (FP-LAPW) method. The exchange and correlation potential terms were treated within Generalized-Gradient-Approximation functional modified by Perdew-Burke-Ernzerrhof parameterizations. The proposed compounds showed mechanical and thermodynamic stable structure and hence can be synthesized experimentally. The calculated lattice parameters, bulk modulus, total energy, density of states, electronic band structure and spin magnetic moments of the compounds revealed considerable correlation to the Si substitution for P and the relative Si/P doping concentration. The electronic and magnetic properties of the doped compounds rendered them non-magnetic but metallic in nature. The main orbital contribution to the Fermi level arises from the hybridization of Th(6d+5f) and (Si+P)3p states. Reported results may have potential implications with regard to both fundamental point of view and technological prospects such as fuel materials for clean nuclear energy.

• Nuclear Engineering and Technology
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• 제51권5호
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• pp.1373-1380
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• 2019

Besides promising implications as fertile nuclear materials, thorium carbonitrides are of great interest owing to their peculiar physical and chemical properties, such as high density, high melting point, good thermal conductivity. This paper reports first-principles simulation results on the structural, electronic and magnetic properties of cubic thorium carbonitrides $ThC_xN_{(1-x)}$ (X = 0.03125, 0.0625, 0.09375, 0.125, 0.15625) employing formalism of density-functional-theory. For the simulation of physical properties, we incorporated full-potential linearized augmented plane-wave (FPLAPW) method while the exchange-correlation potential terms in Kohn-Sham Equation (KSE) are treated within Generalized-Gradient-Approximation (GGA) in conjunction with Perdew-Bruke-Ernzerhof (PBE) correction. The structural parameters were calculated by fitting total energy into the Murnaghan's equation of state. The lattice constants, bulk moduli, total energy, electronic band structure and spin magnetic moments of the compounds show dependence on the C/N concentration ratio. The electronic and magnetic properties have revealed non-magnetic but metallic character of the compounds. The main contribution to density of states at the Fermi level stems from the comparable spectral intensity of Th (6d+5f) and (C+N) 2p states. In comparison with spin magnetic moments of ThSb and ThBi calculated earlier with LDA+U approach, we observed an enhancement in the spin magnetic moments after carbon-doping into ThN monopnictide.

• 자원리싸이클링
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• 제28권3호
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• pp.3-14
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• 2019

동은 약 11,500년 전에 인류가 최초로 사용한 금속이다. 그러나 동은 지각 중에 그다지 풍부하지 않은 금속이다. 동은 높은 열전도도와 전기전도도 그리고 어느 정도의 내식성을 가지고 있다. 특히 동은 품질의 저하 없이 100 % 리사이클링할 수 있는 금속이다. 또 동스크랩을 리사이클링하면 1차 지금 생산과 비교하여 에너지 및 환경부하를 저감할 수 있다. 따라서 최근에는 동사용량의 약 30 %는 리사이클링에 의해 공급되고 있다. 동스크랩은 1차 제련소나 2차제련소에서 정련하고 있으며, 리사이클링에 사용하는 노나 공정은 스크랩의 품질이나 등급에 따라 차이가 있다. 동함유 2차 자원은 동함유량에 따라 정련이 필요하며, 최종적으로 전해정련에 의해 전기동을 생산하고 있다. 본 연구에서는 동의 1차지금 생산 및 리사이클링 공정에 대해 고찰하였다.

• Advances in nano research
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• 제15권3호
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• pp.263-275
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• 2023

The electron transport properties of Y-type zigzag branched carbon nanotubes (CNTs) are of great significance for micro and nano carbon-based electronic devices and their interconnection. Based on the semi-empirical method combining tight-binding density functional theory and non-equilibrium Green's function, the electron transport properties between the branches of Y-type zigzag branched CNT are studied. The results show that the drain-source current of semiconducting Y-type zigzag branched CNT (8, 0)-(4, 0)-(4, 0) is cut-off and not affected by the gate voltage in a bias voltage range [-0.5 V, 0.5 V]. The current presents a nonlinear change in a bias voltage range [-1.5 V, -0.5 V] and [0.5 V, 1.5 V]. The tangent slope of the current-voltage curve can be changed by the gate voltage to realize the regulation of the current. The regulation effect under negative bias voltage is more significant. For the larger diameter semiconducting Y-type zigzag branched CNT (10, 0)-(5, 0)-(5, 0), only the value of drain-source current increases due to the larger diameter. For metallic Y-type zigzag branched CNT (12, 0)-(6, 0)-(6, 0), the drain-source current presents a linear change in a bias voltage range [-1.5 V, 1.5 V] and is symmetrical about (0, 0). The slope of current-voltage line can be changed by the gate voltage to realize the regulation of the current. For three kinds of Y-type zigzag branched CNT with different diameters and different conductivity, the current-voltage curve trend changes from decline to rise when the branch of drain-source is exchanged. The current regulation effect of semiconducting Y-type zigzag branched CNT under negative bias voltage is also more significant.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2016년도 제50회 동계 정기학술대회 초록집
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• pp.171.2-171.2
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• 2016

The 2-dimensiona electron gas (2DEG) layers have opened tremendous interests in the heterooxide interfaces formed between two insulating materials, especially between LaAlO3 and $SrTiO_3$. The 2DEG layers exhibit extremely high mobility and carrier concentrations along with metallic transport phenomena unlike the constituent oxide materials, i.e., $LaAlO_3$ and $SrTiO_3$. The current work inserted artificially the interfacial layer, $Sr_xCa_{1-x}TiO_3$ between $LaAlO_3$ and $SrTiO_3$, with the aim to controlling the 2-dimensional transports. The insertion of the additional materials affect significantly their corresponding electrical transports. Such features have been probed using DC and AC-based characterizations. In particular, impedance spectroscopy was employed as an AC-based characterization tool. Frequency-dependent impedance spectroscopy have been widely applied to a number of electroceramic materials, such as varistors, MLCCs, solid electrolytes, etc. Impedance spectroscopy provides powerful information on the materials system: i) the simultaneous measurement of conductivity and dielectric constants, ii) systematic identification of electrical origins among bulk-, grain boundary-, and electrode-based responses, and iii) the numerical estimation on the uniformity of the electrical origins. Impedance spectroscopy was applied to the $LaAlO_3/Sr_xCa_{1-x}TiO_3/SrTiO_3$ system, in order to understand the 2-dimensional transports in terms of the interfacial design concepts. The 2-dimensional conduction behavior system is analyzed with special emphasis on the underlying mechanisms. Such approach is discussed towards rational optimization of the 2-dimensional nanoelectronic devices.

• 청정기술
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• 제21권2호
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• pp.85-89
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• 2015

다양한 전자부품에 활용되는 금속 잉크 기술은 전자부품산업의 주요 기술로 자리매김하였으며 이에 대한 연구 개발이 점차 증가하고 있다. 그 중에서 실버 잉크는 뛰어난 전도성과 안정성을 가지고 있어서 전자부품산업에 오랫동안 이용되어 왔으며 최근에는 입자 크기를 나노 크기로 분산시킨 실버 나노 잉크를 개발하여 디스플레이, 전자태그, 반도체와 연성회로 기판 등에 사용되는 전자소재로써 각광받고 있다. 그러나 이러한 전자산업기기의 첨단화는 제품의 생산량과 소비량을 증가시켜 제조 공정 중에 발생되는 환경오염 물질과 사용하고 버려지는 제품들에 의해 심각한 환경 문제를 가져올 것으로 예상된다. 따라서 본 연구에서는 습식환원법에 의해 제조된 실버나노 잉크의 제조 공정이 환경에 미치는 영향을 전과정평가(life cycle assessment, LCA) 기법을 이용하여 평가하였다. 전과정 평가 소프트웨어로는 GaBi 6를 사용하였고, 유관기관으로부터 받은 실버 나노 잉크의 제조 공정 데이터를 참고하여, 인벤토리를 구축하였으며 전과정목록분석(international organization for standardization, ISO) 14040, 14044 규격의 4단계에 걸쳐 LCA를 수행하였다.