Spent nuclear fuel is a very complex material because various elements such as fission products, transuranium elements and activation products are produced from initial fresh UO2 fuel after irradiation. These elements exist in UO2 with various forms and can change the structure and of physicochemical properties of UO2. These changes could provide the surface activation site that could enhance chemical reactions and corrosion processes, and would significantly affect the storage environment for long-term disposal of spent nuclear fuel. Therefore, it can be important to understand the characteristics of spent nuclear fuel to design reliable and safe geological repositories. However, it is too hard to study the characteristics of spent nuclear fuel, because it is a very complex material by itself and not easy to handle due to its radioactivity, and it is also difficult to independently understand the effects of each element. Therefore, a simulated spent nuclear fuel containing an element that forms a solid solution and epsilon particle was manufactured to understand the change in characteristics of each element. Most of the elements that form solid solutions are lanthanides or actinides and can change the structure of the UO2 lattice itself. The epsilon particles exist as metals at the grain boundaries of UO2. In this study, structural changes were measured using XRD, SEM, and Raman spectroscopy, and physical and chemical properties were also identified by measuring electrical conductivity and electrochemical properties. The results were summarized, and the effects of solid solution elements and epsilon particles on the structure and properties of UO2 matrix were compared and discussed.

NbC, HfC, TaC, and their solid solution ceramics have been identified as the best materials for ultrahigh-temperature ceramics. However, their structural stability and elastic properties are mostly unclear. Thus, we investigated structure and elastic properties of (Nb1-xTax)C and (Nb1-xHfx)C solid solutions via ab initio calculations. Our calculated results show that the stability of (Nb1-xTax)C and (Nb1-xHfx)C increases with the increase of Hf and Ta content, and (Nb1-xHfx)C is more stable than (Nb1-xTax)C at the same content of Hf and Ta. The lattice constants decrease with increasing of Hf and Ta content. (Nb1-xTax)C and (Nb1-xHfx)C carbides are mechanically stable and brittle. Bulk modulus of (Nb1-xTax)C increases with increasing Ta content. In contrast, bulk modulus of (Nb1-xHfx)C decreases with increasing Hf content. Hardness of solid solutions shows the highest values at the (Nb0.25Ta0.75)C and (Nb0.75Hf0.25)C. In particular, (Nb0.75Hf0.25)C shows the highest hardness for the current system. The results indicate that the overall mechanical properties of (Nb1-xHfx)C solid solutions are superior to those of (Nb1-xTax)C solid solutions. Therefore, controlling the Hf and Ta element and content of the (Nb1-xTax)C and (Nb1-xHfx)C Solid solution is crucial for optimizing the material properties.

목 적: Ⅱ-Ⅲ2-Ⅵ4형 반도체 가운데 고용체 화합물에 대한 연구의 하나로 Ⅵ족인 S, Se를 상호 교환하여 성장시킨 ZnAl2Se3.6S0.4 고용체의 구조 및 광 발광 메카니즘을 규명하였고, 이로부터 광학적 energy band gap의 온도의존성과 기초적 열역학 함수를 추정고자 한다. 방 법: ZnAl2Se3.6S0.4 단결정은 수송매체로서 iodine을 이용한 화학수송법(CTR)으로 단결정을 성장시켰 다. 단결정을 성장시키기 위하여 시료 출발측을 950 ℃, 성장측을 850 ℃로 하여 7일간 성장시켰다. 기초 흡 수단 부근에서 에너지 띠 간격의 온도의존성을 구하기 위하여 저온장치가 부착된 UV-VIS-NIR spectrophotometer를 사용하여 광흡수 스펙트럼을 측정하였다. 광발광 특성은 광흡수 특성 측정에 사용하 였던 측정용 시편을 cryogenic system 의 cold finger 에 부착시키고, 여기 광원으로 325 ㎚의 He-Cd laser 를 사용하였으며, double-grating monochromator, data-mate control system, cryogenic system, PM tube 등으로 구성된 측정 system을 사용하여 측정하였다. 결과 및 고찰: ZnAl2Se3.6S0.4 단결정의 에너지 띠 간격과 온도의존성을 구하기 위하여 이들 단결정의 기 초 흡수단 영역인 320 ～ 420㎚ 파장영역과 13K ～ 289K 온도영역에서 광흡수 스펙트럼을 측정하였다. Varshni가 제안한 에너지 띠 간격의 온도의존성 특성에 대한 실험식에 잘 일치하였다. 측정된 energy gap(Eg)으로부터 열역학적 함수 물리량을 추정할 수 있었다. 또한 13K에서 측정한 광발광 스펙트럼에서 보 면 427㎚(2.904 )영역에서 비교적 넓고 세기가 강한 청색 발광 피크와 468㎚(2.648 )영역에서 세기가 약한 청색 발광 피크를 관측할 수 있었다. 결 론: ZnAl2Se3.6S0.4 단결정의 결정구조는 defect chacopyrite 구조였으며, 격자 상수는 a= 5.5563Å, c= 10.8324Å이었다. 또한 찌그러짐 인자값은 0.0504 이었다. 광학적 에너지 띠 간격의 온도 의존성을 규명하 였고, 이 때 Eg(0)=3.538(eV), α=2.02×10-3(eV/K), β=502.19(K)로 주어졌다. Energy band gap의 온도의 존성으로부터 entropy(SCV), heat capacity(CCV), enthalpy(HCV) 값을 추정 할 수 있었다. ZnAl2Se3.6S0.4 결 정의 광발광 특성은 비교적 넓고 세기가 강한 청색 발광 피크와 세기가 약한 청색 발광 피크를 관측할 수 있었 다. 이들 발광 전이기구는 두개의 주개 준위(SD1, DD1)와 한 개의 받개 준위(DA1)사이의 재결합에 의한 발광 메카니즘으로 설명된다.

In this study, solid solution heat treatment of consolidated nickel-based superalloy powders is carried out by hot isotactic pressing. The effects of the cooling rate of salt quenching, and air cooling on the microstructures and the mechanical properties of the specimens are analyzed . The specimen that is air cooled shows the formation of serrated grain boundaries due to their obstruction by the carbide particles. Moreover, the specimen that is salt quenched shows higher strength than the one that is air cooled due to the presence of fine and close-packed tertiary gamma prime phase. The tensile elongation at high temperatures improves due to the presence of grain boundary serrations in the specimen that is air cooled. On the contrary, the specimen that is salt quenched and consists of unserrated grain boundaries shows better creep properties than the air cooled specimen with the serrated grain boundaries, due to the negative creep phenomenon.

Microstructural and mechanical characteristics of Al-6Si-2Cu alloy for lightweight automotive parts were investigated. The test specimens were prepared by gravity casting process. Solution heat treatments were applied to as-cast alloys to improve mechanical properties. The microstructure of the gravity casting specimen presents a typical dendrite structure, having a secondary dendrite arm spacing (SDAS) of 37μm. In addition to the Al matrix, a large amount of coarsened eutectic Si, Al2Cu intermetallic phase, and Fe-rich phases were identified. After solution heat treatment, single-step solution heat treatments were found to considerably improve the spheroidization of the eutectic Si phase. Two-step solution treatments gave rise to a much improved spheroidization. The mechanical properties of the two-step solution heat treated alloy have been shown to lead to higher values of properties such as tensile strength and microhardness. Consequentially, the microstructural and mechanical characteristics of Al alloy have been successfully characterized and are available for use with other basic data for the development of lightweight automotive parts.

According to kinetic mechanisms, liquid phase polymerization and solid phase polymerization are different in acrylonitrile (AN) polymerization, and so the relationship between the contribution ratio and molecular weight distribution (MWD) was obtained through theoretic analysis. The precipitation homopolymerization of AN was carried out in a mixture solution of dimethyl sulfoxide (DMSO) and water at 50~65℃ using α,α'-azobisisobutyronitrile as an initiator. The contribution ratio decreased and approached 0; the MWD also decreased and approached 2 with the increase of the H2O/DMSO ratio from 10/90 to 90/10. The experimental data were found to coincide well with the theoretical equation derived from the mechanisms.

란시아이트(ranciéite)는 수화된 Ca2+ 양이온이 망간 원자 빈자리를 아래위로 덮고 층간을 채우고 는 육방정계 층상형 산화망간광물(phyllomanganates)이다. 망간 원자 빈자리를 Mn2+ 양이온이 더 우세하게 채 우는 경우, 다카네라이트(takanelite)라는 광물로 구분하며, 란시아이트와 다카네라이트는 서로 고용체를 이룬 다. 이 광물들은 입자크기가 매우 작고 다른 광물과 함께 산출되기 때문에 실험만으로 정확한 결정구조를 규 명하기 어렵다. 이번 연구에서는 층간 Mn2+/Ca2+ 양이온 비율에 따른 란시아이트-다카네라이트의 결정구조와 층간 구조를 규명하기 위해 고전분자동역학 시뮬레이션(molecular dynamics simulations; MD)을 수행하였다. 연구방법의 적합성을 판단하기 위해 결정구조가 잘 알려진 칼코파나이트 군(chalcophanite group) 광물들에 대해 시뮬레이션 계산을 수행 후 실험 결과와 비교하였다. 이후 층간 양이온 비율에 따른 란시아이트 및 다카 네라이트 모델에 대한 MD 시뮬레이션을 수행하여 양이온 함량에 따른 양이온과 물 분자의 분포 및 (001) 면간거리를 제시한다.

Removal characteristics of Cu(II) ions by solid-phase extractant immobilized D2EHPA and TBP in PVC were investigated. Cu(II) ion concentrations in the solution and removal capacity of Cu(II) ion according to operation time were compared. The lower the initial concentration of Cu(II) ion in aqueous solution was, the removal capacity of Cu(II) ion by solid-phase extractant was increased relatively. The bigger the initial concentration of Cu(II) ion was, the removal capacity of Cu(II) ion was increased relatively. The pseudo-second-order kinetics according to operation time was showed more satisfying results than the pseudo-first-order kinetics for the removal velocity of Cu(II) ion. The removal capacity of Cu(II) ion was 0.025 mg/g in aqueous solution of pH 2, but the removal capacity of Cu(II) ion was increased to 0.33 mg/g mg/g in aqueous solution of pH 4 according to increasing pH.

본 연구에서는 10∼15 ㎬의 압력, 1000∼1400 ℃의 온도 조건에서 함수 현무암질 물질로부터 합성된 스티쇼바이트의 함수량을 결정하였고, 스티쇼바이트에 고용하는 알루미늄과 수소와의 치환 메커니즘을 고찰하였다. 단결정 스티쇼바이트의 최대 함수량은 844±44 ppm H2O이며, 수소 고용은 3가이온(주로 알루미늄)에 비례하여 증가하며, 다른 원소들보다 온도에 민감하다. 이러한 결과는 무수광물 중에서 스티쇼바이트는 중요한 함수상임을 시사하며, 하부맨틀로 물을 수송하는 중요한 운반매체 역할을 한다고 판단된다.