Corrosion of copper (Cu) canisters is one of the important factors to ensure the safety of a deep geological repository site. This is because the corrosion of a canister may induce failure of the canister which can lead to a release of radionuclides into the environment. Corrosion of canisters for highlevel wastes is affected by the following multiphysics: thermal-hydraulics, transportation of chemical species, chemical reactions, and interface reactions. This research aimed to develop a multiphysics numerical model for the corrosion of spent nuclear fuel canisters for a deep geological repository in South Korea. The multiphysics model is based on MOOSE (Multiphysics Object-Oriented Simulation Environment) which uses a finite element method. In the multiphysics model, the following multiphysics are coupled and solved together for a deep geological repository design of South Korea: interface redox reactions, porous flow, and heat transport in porous flow. The proposed model was validated with experimental data before being applied to a KAERI reference disposal unit. It was found that the corrosion potential of a Cu canister shows an uneven distribution of corrosion potential along with the surface. In addition, top, bottom, and side surfaces of the canisters show a different lifetime and corrosion potential. Important redox reactions for corrosion are changed along with time from a reduction of O2 and anodic dissolution of Cu by Cl− to sulfidation of Cu and reduction of water. The proposed model will be coupled with some important chemical reactions in engineering buffers and will be the base for the understanding of the behavior of Cu canisters in the KAERI reference disposal unit.

범밀도이론함수(Density Functional Theory, DFT) 기반의 제일원리전산모사는 기저상태의 DFT 에너지를 구하는데 많은 시간소요 및 전산자원을 소모하였다. 이러한 막대한 전산자원의 소모는 DFT 계산에서 고려할 원자수를 수 백개 이 하로 제한되게 되었으며, 이를 해결하기 위해서는 전자구조 계산이 아닌 원자의 환경 내에 원자간 상호작용을 정의 (Force Field, 힘장)하고 이를 통해 주어진 조성 혹은 구조에 따른 에너지를 빠르게 예측 할 수 있어야 한다. 본 논문에서 는 Behler-Parrinello가 제시한 인공신경망 모델을 활용해 인공지능 다원계 힘장을 개발하고 코발트-구리 산화물의 조성에 따른 에너지를 예측하고 안정한 구조를 탐색하는 연구를 수행하였다. 인공신경망 기술로 부터 구리-코발트 산화물에 대 해 15.7 meV/atom의 에너지 오차와 단위거리당 힘 103.6 meV/Å의 정확도를 가지는 인공신경망 포텐셜을 개발하였다. 이 방법으로 빠르고 정확하게 CuCoO 표면구조의 산소 결함률에 따른 생성에너지를 계산할 수 있었고, 에너지 컨벡스 홀을 도시 조성에 따른 안정한 구조를 예측하였다.

In this article, Pb2Ba1.7Sr0.3Ca2Cu3O10+δ superconductor material was synthesized using conventional solid-state reaction method. X-ray diffraction (XRD) analysis demonstrated one dominant phase 2223 and some impurities in the product powder. The strongest peaks in the XRD pattern were successfully indexed assuming a pseudo-tetragonal cell with lattice constants of a = 3.732, b = 3.733 and c = 14.75 Å for a Pb-Based compound. The crystallite size and lattice strain between the layers of the studied compound were estimated using several methods, namely the Scherrer, Williamson-Hall (W.H), sizestrain plot (SSP) and Halder Wagner (H.W) approach. The values of crystallite size, calculated by Scherrer, W.H, SSP and H.W methods, were 89.4540774, 86.658638, 87.7555823 and 85.470086 Å, respectively. Moreover, the lattice strain values obtained by W.H, SSP and H.W methods were 0.0063240, 0.006325 and 0.006, respectively. It was noted that all crystallite size results are consistent; however, the best method is the size-strain plot because it gave a value of R2 approaching one. Furthermore, degree of crystallites was calculated and found to be 59.003321%. Resistivity analysis suggests zero-resistance, which is typical of superconducting materials at critical temperature. Four-probe technique was utilized to measure the critical temperature at onset Tc(onset), zero resistivity Tc(off set), and transition (width ΔT), corresponding to temperatures of 128 K, 116 K, and 12 K, respectively.

The purpose of this study is to develop a zirconium-based alloy with low modulus and magnetic susceptibility to prevent the stress-shielding effect and the generation of artifacts. Zr-7Cu-xSn (x = 1, 5, 10, 15 mass%) alloys are prepared by an arc melting process. Microstructure characterization is performed by microscopy and X-ray diffraction. Mechanical properties are evaluated using micro Vickers hardness and compression test. The magnetic susceptibility is evaluated using a SQUIDVSM. The average magnetic susceptibility value of the Zr-7Cu-xSn alloy is 1.176 × 108 cm3g1. Corrosion tests of zirconiumbased alloys are conducted through polarization test. The average Icorr value of the Zr-7Cu-xSn alloy is 0.1912 A/cm2. The elastic modulus value of 14 ~ 18 GPa of the zirconium-based alloy is very similar to the elastic modulus value of 15 ~ 30 GPa of the human bone. Consequently, the Sn added zirconium alloy, Zr-7Cu-xSn, is very interesting and attractive as a biomaterial that reduces the stress-shielding effect caused by differences of elastic modulus between human bone and metallic implants. In addition, this material has the potential to be used in metallic dental implants to effectively eliminate artifacts in MRI images due to low magnetic susceptibility.

The adsorption process using GAC is one of the most secured methods to remove of phosphate from solution. This study was conducted by impregnating Cu(II) to GAC(GAC-Cu) to enhance phosphate adsorption for GAC. In the preparation of GAC-Cu, increasing the concentration of Cu(II) increased the phosphate uptake, confirming the effect of Cu(II) on phosphate uptake. A pH experiment was conducted at pH 4-8 to investigate the effect of the solution pH. Decrease of phosphate removal efficiency was found with increase of pH for both adsorbents, but the reduction rate of GAC-Cu slowed, indicating electrostatic interaction and coordinating bonding were simultaneously involved in phosphate removal. The adsorption was analyzed by Langmuir and Freundlich isotherm to determine the maximum phosphate uptake(qm) and adsorption mechanism. According to correlation of determination(R2), Freundlich isotherm model showed a better fit than Langmuir isotherm model. Based on the negative values of qm, Langmuir adsorption constant(b), and the value of 1/n, phosphate adsorption was shown to be unfavorable and favorable for GAC and GAC-Cu, respectively. The attempt of the linearization of each isotherm obtained very poor R2. Batch kinetic tests verified that ~30% and ~90 phosphate adsorptions were completed within 1 h and 24 h, respectively. Pseudo second order(PSO) model showed more suitable than pseudo first order(PFO) because of higher R2. Regardless of type of kinetic model, GAC-Cu obtained higher constant of reaction(K) than GAC.

The precipitation effect of Al-6%Si-0.4%Mg-0.9%Cu-(Ti) alloy (in wt.%) after various heat treatments was studied using a laser flash device (LFA) and differential scanning calorimetry (DSC). Solid solution treatment was performed at 535 oC for 6 h, followed by water cooling, and samples were artificially aged in air at 180 oC and 220 oC for 5 h. The titanium-free alloy Al-6%Si-0.4%Mg-0.9%Cu showed higher thermal diffusivity than did the Al-6%Si-0.4%Mg-0.9%Cu-0.2%Ti alloy over the entire temperature range. In the temperature ranges below 200 oC and above 300 oC, the value of thermal diffusivity decreased with increasing temperature. As the sample temperature increased between 200 oC and 400 oC, phase precipitation occurred. From the results of DSC analysis, the temperature dependence of the change in thermal diffusivity in the temperature range between 200 oC and 400 oC was strongly influenced by the precipitation of θ'-Al2Cu, β'-Mg2Si, and Si phases. The most important factor in the temperature dependence of thermal diffusivity was Si precipitation.

Cu matrix composites reinforced with chopped carbon fiber (CF), which is cost effective and can be well dispersed, are fabricated using electroless plating and hot pressing, and the effects of content and alignment of CF on the thermal properties of CF/Cu composites are studied. Thermal conductivity of CF/Cu composite increases with CF content in the in-plane direction, but it decreases above 10% CF; this is due to reduction of thermal diffusivity related with phonon scattering by agglomeration of CF. The coefficient of thermal expansion decreases in the in-plane direction and increases in the through-plane direction as the CF content increases. This is because the coefficient of thermal expansion of the long axis of CF is smaller than that of the Cu matrix, and the coefficient of thermal expansion of its short axis is larger than that of the Cu matrix. The thermal conductivity is greatly influenced by the agglomeration of CF in the CF/Cu composite, whereas the coefficient of thermal expansion is more influenced by the alignment of CF than the aggregation of CF.

Cu2ZnSn(S,Se)4 (CZTSSe) based thin-film solar cells have attracted growing attention because of their earthabundant and non-toxic elements. However, because of their large open-circuit voltage (Voc)-deficit, CZTSSe solar cells exhibit poor device performance compared to well-established Cu(In,Ga)(S,Se)2 (CIGS) and CdTe based solar cells. One of the main causes of this large Voc-deficit is poor absorber properties for example, high band tailing properties, defects, secondary phases, carrier recombination, etc. In particular, the fabrication of absorbers using physical methods results in poor surface morphology, such as pin-holes and voids. To overcome this problem and form large and homogeneous CZTSSe grains, CZTSSe based absorber layers are prepared by a sputtering technique with different RTA conditions. The temperature is varied from 510 oC to 540 oC during the rapid thermal annealing (RTA) process. Further, CZTSSe thin films are examined with X-ray diffraction, X-ray fluorescence, Raman spectroscopy, IPCE, Energy dispersive spectroscopy and Scanning electron microscopy techniques. The present work shows that Cu-based secondary phase formation can be suppressed in the CZTSSe absorber layer at an optimum RTA condition.

In this study, the layered structures of immiscible Fe and Cu metals were employed to investigate the interface evolution through solid-state mixing. The pure Fe and Cu powders were cold-consolidated by high-pressure torsion (HPT) to fabricate a layered Cu-Fe-Cu structure. The microstructural evolutions and flow of immiscible Fe and Cu metals were investigated following different iterations of HPT processing. The results indicate that the HPTprocessed sample following four iterations showed a sharp chemical boundary between the Fe and Cu layers. In addition, the Cu powders exhibited perfect consolidation through HPT processing. However, the Fe layer contained many microcracks. After 20 iterations of HPT, the shear strain generated by HPT produced interface instability, which caused the initial layered structure to disappear.

Using first-principles theory, this work investigated the Cu-doping behavior on the N-vacancy of the C3N monolayer and simulated the adsorption performance of Cu-doped C3N (Cu–C3N) monolayer upon two dissolved gases ( H2 and C2H2). The calculations meant to explore novel candidate for sensing application in the field of electrical engineering evaluating the operation status of the transformers. Our results indicated that the Cu dopant could be stably anchored on the N- vacancy with the Eb of − 3.65 eV and caused a magnetic moment of 1 μB. The Cu–C3N monolayer has stronger performance upon C2H2 adsorption than H2 give the larger Ead, QT and change in electronic behavior. The frontier molecular orbital (FMO) theory indicates that Cu–C3N monolayer has the potential to be applied as a resistance-type sensor for detection of such two gases, while the work function analysis evidences its potential as a field-effect transistor sensor as well. Our work can bring beneficial information for exploration of novel sensing material to be applied in the field of electrical engineering, and provide guidance to explore novel nano-sensors in many fields.

Dry etching of copper thin films is performed using high density plasma of ethylenediamine (EDA)/ hexafluoroisopropanol (HFIP)/Ar gas mixture. The etch rates, etch selectivities and etch profiles of the copper thin films are improved by adding HFIP to EDA/Ar gas. As the EDA/HFIP concentration in EDA/HFIP/Ar increases, the etch rate of copper thin films decreases, whereas the etch profile is improved. In the EDA/HFIP/Ar gas mixture, the optimal ratio of EDA to HFIP is investigated. In addition, the etch parameters including ICP source power, dc-bias voltage, process pressure are varied to examine the etch characteristics. Optical emission spectroscopy results show that among all species, [CH], [CN] and [H] are the main species in the EDA/HFIP/Ar plasma. The X-ray photoelectron spectroscopy results indicate the formation of CuCN compound and C-N-H-containing polymers during the etching process, leading to a good etch profile. Finally, anisotropic etch profiles of the copper thin films patterned with 150 nm scale are obtained in EDA/HFIP/Ar gas mixture.

Ti-based alloys are widely used in biomaterials owing to their excellent biocompatibility. In this study, Ti- Mn-Cu alloys are prepared by high-energy ball milling, magnetic pulsed compaction, and pressureless sintering. The microstructure and microhardness of the Ti-Mn-Cu alloys with variation of the Cu addition and compaction pressure are analyzed. The correlation between the composition, compaction pressure, and density is investigated by measuring the green density and sintered density for samples with different compositions, subjected to various compaction pressures. For all compositions, it is confirmed that the green density increases proportionally as the compaction pressure increases, but the sintered density decreases owing to gas formation from the pyrolysis of TiH2 powders and reduction of oxides on the surface of the starting powders during the sintering process. In addition, an increase in the amount of Cu addition changes the volume fractions of the α-Ti and β-Ti phases, and the microstructure of the alloys with different compositions also changes. It is demonstrated that these changes in the phase volume fraction and microstructure are closely related to the mechanical properties of the Ti-Mn-Cu alloys.

Iron and copper are practically immiscible in the equilibrium state, even though their atomic radii are similar. As non-equilibrium solid solutions, the metastable Fe-Cu alloys can be synthesized using special methods, such as rapid quenching, vapor deposition, sputtering, ion-beam mixing, and mechanical alloying. The complexity of these methods (multiple steps, low productivity, high cost, and non-eco-friendliness) is a hinderance for their industrial applications. Electrical explosion of wire (EEW) is a well-known and effective method for the synthesis of metallic and alloy nanoparticles, and fabrication using the EEW is a simple and economic process. Therefore, it can be potentially employed to circumvent this problem. In this work, we propose the synthesis of Fe-Cu nanoparticles using EEW in a suitable solution. The powder shape, size distribution, and alloying state are analyzed and discussed according to the conditions of the EEW.

Effects of Sc addition on microstructure, electrical conductivity, thermal conductivity and mechanical properties of the as-cast and as-extruded Al-2Zn-1Cu-0.3Mg-xSc (x = 0, 0.25, 0.5 wt%) alloys are investigated. The average grain size of the as-cast Al-2Zn-1Cu-0.3Mg alloy is 2,334 μm; however, this value drops to 914 and 529 μm with addition of Sc element at 0.25 wt% and 0.5 wt%, respectively. This grain refinement is due to primary Al3Sc phase forming during solidification. The as-extruded Al-2Zn-1Cu-0.3Mg alloy has a recrystallization structure consisting of almost equiaxed grains. However, the asextruded Sc-containing alloys consist of grains that are extremely elongated in the extrusion direction. In addition, it is found that the proportion of low-angle grain boundaries below 15 degree is dominant. This is because the addition of Sc results in the formation of coherent and nano-scale Al3Sc phases during hot extrusion, inhibiting the process of recrystallization and improving the strength by pinning of dislocations and the formation of subgrain boundaries. The maximum values of the yield and tensile strength are 126 MPa and 215 MPa for the as-extruded Al-2Zn-1Cu-0.3Mg-0.25Sc alloy, respectively. The increase in strength is probably due to the existence of nano-scale Al3Sc precipitates and dense Al2Cu phases. Thermal conductivity of the as-cast Al-2Zn-1Cu-0.3Mg-xSc alloy is reduced to 204, 187 and 183 W/MK by additions of elemental Sc of 0, 0.25 and 0.5 wt%, respectively. On the other hand, the thermal conductivity of the as-extruded Al-2Zn-1Cu-0.3Mg-xSc alloy is about 200 W/Mk regardless of the content of Sc. This is because of the formation of coherent Al3Sc phase, which decreases Sc content and causes extremely high electrical resistivity.

For surface hardening of a continuous casting mold component, a fundamental metallurgical investigation on dissimilar laser clads (Cu–NiCrBSi) is performed. In particular, variation behavior of microstructures and mechanical properties (hardness and wear resistance) of dissimilar clads during long-term service is clarified by performing high-temperature postclad heat treatment (temperature range: 500 ~ 1,000 ℃ and isothermal holding time: 20 ~ 500 min). The microstructures of clad metals (as-clads) consist of fine dendrite morphologies and severe microsegregations of the alloying elements (Cr and Si); substrate material (Cu) is clearly confirmed. During the post-clad heat treatment, the microsegregations are totally homogenized, and secondary phases (Cr-based borides and carbides) precipitated during the short-term heat treatment are also almost dissolved, especially at the heat treatment conditions of 950 ℃ for 500 min. Owing to these microstructural homogenization behaviors, an opposite tendency of the surface mechanical properties can be confirmed. In other words, the wear resistance (wear rate) improves from 4.1 × 10−2 mm3/Nm (as-clad condition) to 1.4 × 10-2 mm3/Nm (heat-treated at 950 ℃ for 500 min), whereas the hardness decreases from 453 HV (as-clad condition) to 142 HV (heat-treated at 950 ℃ for 500 min).

The relationship between the precipitation of secondary phase and the thermal properties of Al-4.5%Cu alloy (in wt.%) after various heat treatments has been studied. Solid solution treatment of alloy was performed at 808 K for 6 hours, followed by warm water quenching; then, the samples were aged in air at 473 K for different times. The thermal diffusivity of the Al-4.5%Cu alloy changed with the heat treatment conditions of the alloy at temperatures below 523 K. The as-quenched specimen had the lowest thermal diffusivity, and as the artificial aging time increased, the thermal diffusivity of the specimen increased in the temperature range between 298 and 523 K. For the specimen aged for five hours, the thermal conductivity was 12% higher than that of the as-quenched specimens at 298 K. It is confirmed that the thermal diffusivity and thermal conductivity of the Al-4.5%Cu alloy significantly depend on their thermal history at temperatures below 523 K. The precipitation and dissolution of the Al2Cu phase were confirmed via DSC for the alloys, and the formation of coefficient of thermal expansion peaks in TMA was caused by precipitation. The precipitation of supersaturated solid solution of Al-4.5%Cu alloys had an additional linear expansion of ≈ 0.05 % at 643 K during thermal expansion measurement.

NKN [(Na,K)NbO3] is a candidate lead-free piezoelectric material to replace PZT [Pb(Zr,Ti)O3]. A single crystal has excellent piezoelectric-properties and its properties are dependent of the crystal orientation direction. However, it is hard to fabricate a single crystal with stoichiometrically stable composition due to volatilization of sodium during the growth process. To solve this problem, a solid solution composition is designed (Na,K)NbO3-Ba(Cu,Nb)O3 and solid state grain growth is studied for a sizable single crystal. Ceramic powders of (Na,K)NbO3-M(Cu,Nb)O3 (M = Ca, Sr, Ba) are synthesized and grain growth behavior is investigated for different temperatures and times. Average normal grain sizes of individual specimens, which are heat-treated at 1,125 oC for 10 h, are 6.9, 2.8, and 1.6 m for M = Ca, Sr, and Ba, respectively. Depending on M, the distortion of NKN structure can be altered. XRD results show that (NKN-CaCuN: shrunken orthorhombic; NKN-SrCuN: orthorhombic; NKN-BaCuN: cubic). For the sample heat-treated at 1,125 oC for 10 h, the maximum grain sizes of individual specimens are measured as 40, 5, and 4,000 m for M = Ca, Sr, and Ba, respectively. This abnormal grain size is related to the partial melting temperature (NKN-CaCuN: 960 oC; NKN-SrCuN: 971 oC; NKN-BaCuN: 945 oC).

Porous Fe-Cu-C alloy was sintered by Pulsed Current Activated Sintering(PCAS) method within 10 min from horizontal ball mill mixture. The relative density of Fe-20wt.%Cu-0.8wt.%C alloy fabricated by PCAS method was 91%. The average hardness of the Fe-20wt.%Cu-0.8wt.%C alloy was HRB 92. The phase analysis, microstructure and composition information of the sintered alloy were investigated by using XRD, FESEM, EDAX.