• Journal of the Semiconductor & Display Technology
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• v.7 no.4
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• pp.41-44
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• 2008

NiSi is less stable than the previously-used $CoSi_2$ at high temperature. Some noble metals, such as Pd and Pt, have been added to NiSi to improve its thermal stability. We employed a first principles calculation to understand the Pd segregation at the interface. An orthorhombic structure of NiSi was used to construct an orthorhombic-NiSi/Si (010). Lattice parameters along a- and c-axes in orthorhombic-NiSi were matched with those of Si for epitaxy contact. The optimized $1\times4\times1$ orthorhombic-NiSi (010) and $1\times2\times1$ Si (010) superstructures were put together to construct the orthorhombic-NiSi/Si (010), and the superstructure was relieved in calculation to minimize its total free energy. The optimized interface thickness of the superstructure was $1.59\AA$. Pd atom was substituted in Ni and Si sites located near interface. Both Ni and Si sites located at the interface were favorable for Pd substitution.

• Journal of Industrial Technology
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• v.8
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• pp.31-35
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• 1988

To predict the airloads on helicopter rotors in hover, the doublet panel method of the first order is applied. For this simulation, the rotor blade is divided into many panels both in spanwise and in chordwise direction, and Kocurek-Tangler's prescribed wake with roll-up process is taken for determing wake geometry and then represented by vortex lattice. To abtain more physically realistic calculation of induced velocity, the vortex core model is adopted and the compressibility effect is considered by Karman-Tsien rule.

• Proceeding of EDISON Challenge
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• 2014.03a
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• pp.430-433
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• 2014

Perovskite 구조를 가진 코발트 산화물 $SrCoO_3$와 Brownmillerite 구조인 $SrCoO_{2.5}$의 electronic structure를 제1원리 계산을 통해 분석하였다. 이들의 magnetic structure를 계산하여 실험을 통해 알려진 값과 비교하였고, 각 구조에서 코발트 이온이 갖는 spin state를 확인할 수 있었다. 코발트 이온은 $SrCoO_3$에서 intermediate spin state(IS)를, $SrCoO_{2.5}$에서는 high spin state(HS)를 갖는데 이것이 lattice constant의 차이에 의한 것인지, 아니라면 차이의 원인은 무엇인지 density of state를 분석함으로써 알아보았다.

• Proceedings of the Korean Nuclear Society Conference
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• 1997.10a
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• pp.147-151
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• 1997

Fuel management simulation have been performed for CANFLEX-0.9％ RU fuel in the CANDU 6 reactor. In this study, the bi-directional 4-bundle shift fuelling scheme was assumed The lattice cell and time-average calculation were carried out. The refuelling simulation calculations were performed for 600 full power days. Time-averaged results show good axial power profile with the CANFLEX-RU fuel. During the simulation period, the maximum channel and bundle power were maintained below the licensing limit of CANDU 6 reactor.

• The Journal of Engineering Geology
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• v.11 no.3
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• pp.269-278
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• 2001

We describe the calculation of thermal expansion coefficients of $\alpha$-quartz, muscovite and albite using a MD simulation method. The selection of interatomic potentials is important for the MD calculation, and we used the 2-body interatomic potential function. The coefficients are calculated using a differential operation of the temperature dependence of the lattice constant obtained from the NPT-ensemble molecular dynamics simulation. Reasonable agreement is found between the analytical results and measured data.

• Proceedings of the Korean Vacuum Society Conference
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• 2000.02a
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• pp.142-142
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• 2000

We performed a total energy calculation of clean alumunum surfaces of three low indices based on a density functional theory with a local density approximation, using the Ceperly-Alder exhange correlation parametrized by Perdew and Zunger. Pseudopotentials were generated for Al of which the plane wave cut-off was 15Ry. We used Gaussian broadening of a Fermi level to accelerate the convergence of our calculation with the Gaussian energy smearing parameter of 0.005Ry. First, we determine the lattice constant of the aluminum of an face-centered-cubic structure to be 3.96 which is comparable to the experimental data of 4.05 . The cohesive energy of 4.20eV/atom and the bulk modulus of 0.775$\times$1012dyne/cm2 are also comparable to the experimental values of 3.39eV/atom and 0.772$\times$1012dyne/cm2, respectively. Then we investigated the surface relaxation of (100), (110) and (111) surfaces using a 9-layer slab separated by 6-layer thick vacuum. The results are consistent with the existing experimental results.

• Nuclear Engineering and Technology
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• v.53 no.1
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• pp.44-60
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• 2021

In this paper, we validate the decay heat calculation capability via a two-step method to analyze spent nuclear fuel (SNF) discharged from pressurized water reactors (PWRs). The calculation method is implemented with a lattice code STREAM and a nodal diffusion code RAST-K. One of the features of this method is the direct consideration of three-dimensional (3D) core simulation conditions with the advantage of a short simulation time. Other features include the prediction of the isotope inventory by Lagrange non-linear interpolation and the use of power history correction factors. The validation is performed with 58 decay heat measurements of 48 fuel assemblies (FAs) discharged from five PWRs operated in Sweden and the United States. These realistic benchmarks cover the discharge burnup range up to 51 GWd/MTU, 23.2 years of cooling time, and spanning an initial uranium enrichment range of 2.100-4.005 wt percent. The SNF analysis capability of STREAM is also employed in the code-to-code comparison. Compared to the measurements, the validation results of the FA calculation with RAST-K are within ±4%, and the pin-wise results are within ±4.3%. This paper successfully demonstrates that the developed decay heat calculation method can perform SNF back-end cycle analyses.

• Korean Journal of Optics and Photonics
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• v.6 no.4
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• pp.302-309
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• 1995

We desinged a lattice-matched InGaAs/lnGaAsP quantum well laser that lases at $1.55{\mu}m$ at room temperature, and calculated the gain spectrum as a function of injected carrier density and temperature. For the calculation of band structures and momentum matrix elements, we used a transfer JIlatrix method based on a block-diagonalized 8x8 second-order Ii$.$ P Hamiltonian. This lattice-matched quantum well lases in transverse electric mode. As the temperature increases, the lasing wavelength gets longer, the transparency carrier density increases, and the differential gain is reduced. The temperature dependence of the gain spectrum comes from the temperature dependence of the band structure and that of the Fermi function, and the latter contributes dominantly.nantly.

• Journal of Electrical Engineering and Technology
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• v.7 no.2
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• pp.264-272
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• 2012

In the field of medical diagnostics, interested parties have resorted increasingly to medical imaging. It is well established that the accuracy and completeness of diagnosis are initially connected with the image quality, but the quality of the image is itself dependent on a number of factors including primarily the processing that an image must undergo to enhance its quality. This paper introduces an algorithm for medical image compression based on the quincunx wavelets coupled with SPIHT coding algorithm, of which we applied the lattice structure to improve the wavelet transform shortcomings. In order to enhance the compression by our algorithm, we have compared the results obtained with those of other methods containing wavelet transforms. For this reason, we evaluated two parameters known for their calculation speed. The first parameter is the PSNR; the second is MSSIM (structural similarity) to measure the quality of compressed image. The results are very satisfactory regarding compression ratio, and the computation time and quality of the compressed image compared to those of traditional methods.

• Korean Journal of Materials Research
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• v.15 no.9
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• pp.566-576
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• 2005

This paper describes an ab Initio study on interface energies, misfit strain energies, and electron structures at coherent interfaces Fe(bcc structure)/MCs(NaCl structure M=Ti, Zr, Hf). The interface energies at relaxed interfaces Fe/TiC, Fe/ZrC and Fe/HfC were 0.263, 0.153 and $0.271 J/m^2$, respectively. It was understood that the dependence of interface energy on the type of carbide was closely related to changes of the binding energies between Fe, M and C atoms before and after formation of the interfaces Fe/MCs with the help of the DLP/NNBB (Discrete Lattice Plane/ Nearest Neighbour Broken Bond) model and data of the electron structures. The misfit strain energies in Fe/TiC, Fe/ZrC and Fe/HfC systems were 0.390, 1.692 and 1.408 eV per 16 atoms(Fe: 8 atoms and MC; 8 atoms). More misfit energy was generated as difference of lattice parameters between the bulk Fe and the bulk MCs increased.