• 제목/요약/키워드: atomic distribution

검색결과 827건 처리시간 0.027초

직각 쐐기와 응착접촉 하는 반무한 평판 내 전위: 제1부 - 보정 함수 유도 (Dislocation in Semi-infinite Half Plane Subject to Adhesive Complete Contact with Square Wedge: Part I - Derivation of Corrective Functions)

  • 김형규
    • Tribology and Lubricants
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    • 제38권3호
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    • pp.73-83
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    • 2022
  • This paper is concerned with an analysis of a surface edge crack emanated from a sharp contact edge. For a geometrical model, a square wedge is in contact with a half plane whose materials are identical, and a surface perpendicular crack initiated from the contact edge exists in the half plane. To analyze this crack problem, it is necessary to evaluate the stress field on the crack line which are induced by the contact tractions and pseudo-dislocations that simulate the crack, using the Bueckner principle. In this Part I, the stress filed in the half plane due to the contact is re-summarized using an asymptotic analysis method, which has been published before by the author. Further focus is given to the stress field in the half plane due to a pseudo-edge dislocation, which will provide a stress solution due to a crack (i.e. a continuous distribution of edge dislocations) later, using the Burgers vector. Essential result of the present work is the corrective functions which modify the stress field of an infinite domain to apply for the present one which has free surfaces, and thus the infiniteness is no longer preserved. Numerical methods and coordinate normalization are used, which was developed for an edge crack problem, using the Gauss-Jacobi integration formula. The convergence of the corrective functions are investigated here. Features of the corrective functions and their application to a crack problem will be given in Part II.

A DFT Study on the Polarizability of Di-substituted Arene (o-, m-, p-) Molecules used as Supercharging Reagents during Electrospray Ionization Mass Spectrometry

  • Abaye, Daniel A.;Aniagyei, Albert;Adedia, David;Nielsen, Birthe V.;Opoku, Francis
    • Mass Spectrometry Letters
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    • 제13권3호
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    • pp.49-57
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    • 2022
  • During electrospray ionization mass spectrometry (ESI-MS) analysis of proteins, the addition of supercharging agents allows for adjusting the maximal charge state, affecting the charge state distribution, and increases the number of ions reaching the detector thus, improving signal detection. We postulate that in di-substituted arene isomers, molecules with higher polarizability values should generate greater interactions and hence elicit higher signal intensities. Polarizability is an electronic parameter which has been demonstrated to predict many chemical interactions. Many properties can be predicted based on charge polarization. Molecular polarizability is a vital descriptor for explaining intermolecular interactions. We employed DFT (density functional/Hartree-Fock hybrid model, B3LYP)-derived descriptors and computed molecular polarizability for ten disubstituted arene reagents, each set made up of three (ortho, meta, para) isomers, with reported use as supercharging reagents during ESI experiments. The atomic electronic inputs were ionization potential (IP), electron affinity (EA), electronegativity (𝛘), hardness (η), chemical potential (µ), and dipole moment (D). We determined that the para isomers showed the highest polarizability values in nine of the ten sets. There was no difference between the ortho and meta isomers. Polarizability also increased with increasing complexity of the substituents on the benzene ring. Polarizability correlated positively with IP, EA, 𝛘, η, and D but correlated negatively with chemical potential. This DFT study predicts that the para isomers of di-substituted arene isomers should elicit the strongest ESI responses. An experimental comparison of the three isomers, especially of larger supercharging molecules, could be carried out to establish this premise.

Dynamic behavior of submerged floating tunnels at the shore connection considering the use of flexible joints

  • Seok-Jun Kang;Minhyeong Lee;Jun-Beom An;Dong-Hyuk Lee;Gye-Chun Cho
    • Geomechanics and Engineering
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    • 제33권1호
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    • pp.101-112
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    • 2023
  • When a submerged floating tunnel is connected to the ground, there is a risk of stress concentration at the shore connection owing to the displacement imbalance caused by low confinement pressures in water and high confinement pressures in the ground. Here, the effects of the boundary condition and stiffness of the joints installed at the shore connection on the behaviors of a submerged floating tunnel and its shore connection were analyzed using a numerical method. The analysis results obtained with fixed and ground boundaries were similar due to the high stiffness of the ground boundary. However, the stability of the shore connection was found to be improved with the ground boundary as a small displacement was allowed at the boundary. The effect of the joint stiffness was evaluated by investigating the dynamic behavior of the submerged floating tunnel, the magnitude of the load acting on the bored tunnel, and the stress distribution at the shore connection. A lower joint stiffness was found to correspond to more effective relief of the stress concentration at the shore connection. However, it was confirmed that joints with low stiffness also increase the submerged floating tunnel displacement and decrease the frequency of the dynamic behavior, causing a risk of increased resonance when wave loads with low frequency are applied. Therefore, it is necessary to derive the optimal joint stiffness that can achieve both stress concentration relief and resonance prevention during the design of shore connections to secure their dynamic stability.

이단 필터 샘플러에 의한 대기 부유분진의 포집 및 금속 성분의 계절별 거동에 관한 연구 (Aerosol Sampling with Two Stage Filter Sampler and Seasonal Variation of Metal Components in the Atmosphere)

  • 이용근;김남훈;명노승;황규자
    • 한국대기환경학회지
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    • 제4권2호
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    • pp.20-27
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    • 1988
  • A simple two stage aerosol filter sampler which allows simultaneous and fractional collection of two different-size particles, coarse and fine, was constructed and applied to the collection of Seoul atmospheric particulate for inorganic analysis. The sampler consist of two 47-mm diameter filter holder, a pneumatic pump, and a flowmeter. Filtering rate normally runs around 20$\ell$/min for 8 hrs. Using the sampler, a series of seasonal aerosol samples were collected from June 1986 to March 1988 at Yonsei University campus, Seoul and subsequently analysed for ten environmentally important metals using an atomic absorption spectrometer and an inductively coupled plasma emission spectrometer. The analysed metals are Al, Cd, Cr, Cu, Fe, Mn, Ni, Pb, V, and Zn. The analytical results showed the following order of metal abundance; Al > Fe > Zn > Pb > Mn > Cu > V > Ni > Cr > Cd. Based upon their size distribution pattern, the analyzed matals could be clasified into two groups, those present primarily in coarse particle and those in fine particle. Fe, Al, Mn, V, and Cr belong to the former group while the rest to the latter. Most metal concentration were highest in spring or winter, and lowest in autumn. Statistical analysis showed strong correlations between Al and Fe, Pb and Zn, and Cu and Mn.

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Ultrasonic-assisted dissolution of U3O8 in carbonate medium

  • Chenxi Hou;Mingjian He ;Haofan Fang;Meng Zhang;Yang Gao;Caishan Jiao;Hui He
    • Nuclear Engineering and Technology
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    • 제55권1호
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    • pp.63-70
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    • 2023
  • Ultrasound-assisted dissolution of U3O8 powder in carbonate solution was explored to determine if and how ultrasound act during the dissolution. The variation of U3O8 solid particles and uranyl complexes under ultrasound treatment and magnetic stirring was observed in carbonate media. The results show that the use of ultrasound can increase the solubility and dissolution rate of U3O8 powder than that under magnetic stirring. The crush of U3O8 particles and the reduction of the activation energy (Ea, kJ/mol) of U3O8 dissolution reaction were observed, which both play an important role in the ultrasonic-assisted dissolution of U3O8 in carbonate-peroxide solution. Meanwhile, there is no observation of the ultrasound effect on the distribution of uranyl species and hydrolysis of uranyl complexes during the ultrasound treatment in carbonate-peroxide solution. Although the generation of ·OH radicals under ultrasound (22 ± 2 kHz) was observed, the oxidation of ·OH had little effect on the dissolution of U3O8 in the carbonate-peroxide solution system.

Establishment of DeCART/MIG stochastic sampling code system and Application to UAM and BEAVRS benchmarks

  • Ho Jin Park;Jin Young Cho
    • Nuclear Engineering and Technology
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    • 제55권4호
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    • pp.1563-1570
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    • 2023
  • In this study, a DeCART/MIG uncertainty quantification (UQ) analysis code system with a multicorrelated cross section stochastic sampling (S.S.) module was established and verified through the UAM (Uncertainty Analysis in Modeling) and the BEAVRS (Benchmark for Evaluation And Validation of Reactor Simulations) benchmark calculations. For the S.S. calculations, a sample of 500 DeCART multigroup cross section sets for two major actinides, i.e., 235U and 238U, were generated by the MIG code and covariance data from the ENDF/B-VII.1 evaluated nuclear data library. In the three pin problems (i.e. TMI-1, PB2, and Koz-6) from the UAM benchmark, the uncertainties in kinf by the DeCART/MIG S.S. calculations agreed very well with the sensitivity and uncertainty (S/U) perturbation results by DeCART/MUSAD and the S/U direct subtraction (S/U-DS) results by the DeCART/MIG. From these results, it was concluded that the multi-group cross section sampling module of the MIG code works correctly and accurately. In the BEAVRS whole benchmark problems, the uncertainties in the control rod bank worth, isothermal temperature coefficient, power distribution, and critical boron concentration due to cross section uncertainties were calculated by the DeCART/MIG code system. Overall, the uncertainties in these design parameters were less than the general design review criteria of a typical pressurized water reactor start-up case. This newly-developed DeCART/MIG UQ analysis code system by the S.S. method can be widely utilized as uncertainty analysis and margin estimation tools for developing and designing new advanced nuclear reactors.

Azimuthal Angle Scan Distribution, Third Order Response, and Optical Limiting Threshold of the Bismarck Brown Y:PMMA Film

  • Fadhil Abass Tuma;Hussain Ali Badran;Harith Abdulrazzaq Hasan;Riyadh Chassib Abul-Hail
    • Current Optics and Photonics
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    • 제7권6호
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    • pp.721-731
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    • 2023
  • This paper studies various roughness parameters, besides waviness, texture, and nonlinear parameters of Bismarck brown Y (BBY)-doped Poly(methyl methacrylate) (PMMA) films based on the computed values of optical limiting (OL) threshold power and nonlinear refractive index. The films' morphology, grain size, and absorption spectra were investigated using atomic force microscopy in conjunction with ultraviolet-visible (UV-Vis) spectrophotometer. The particle size of the films ranged between 4.11-4.51 mm and polymer films showed good homogeneity and medium roughness, ranging from 1.11-4.58 mm. A polymer film's third-order nonlinear optical features were carried out using the Z-scan methodology. The measurements were obtained by a continuous wave produced from a solid-state laser with a 532 nm wavelength. According to the results, BBY has a nonlinear refractive index of 10-6 cm2/W that is significantly negative and nonlinear. The optical limiting thresholds are roughly 10.29, 13.52, and 18.71 mW, respectively. The shift of nonlinear optical features with the film's concentration was found throughout the experiment Additionally, we found that the polymer samples have outstanding capabilities for restricting the amount of optical power that may be transmitted through them. We propose that these films have the potential to be used in a wide variety of optoelectronic applications, including optical photodetectors and optical switching.

In-depth investigation of natural convection thermal characteristics of BALI experiment through Eulerian computational fluid dynamics code and comparison with Lagrangian code

  • Hyeongi Moon;Sohyun Park;Eungsoo Kim;Jae-Ho Jeong
    • Nuclear Engineering and Technology
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    • 제56권1호
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    • pp.9-18
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    • 2024
  • In-vessel retention through external reactor vessel cooling (IVR-ERVC) is a severe accident management (SAM) strategy that has been adopted and used in many nuclear reactors such as AP1000, APR1400, and light water reactor etc. Some reactor accidents have raised concerns about nuclear reactors among residents, leading to a decrease in residents' acceptability and many studies on SAM are being conducted. Experiments on IVR-ERVC are almost impossible due to its specificity, so fluid characteristics are analyzed through BALI experiments with similar condition. In this study, computational fluid dynamics (CFD) via Reynolds-averaged Navier-Stokes (RANS) and large eddy simulation (LES) for BALI experiments were performed. Steady-state CFD analysis was performed on three turbulence models, and SST k-ω model was in good agreement with the experimental measurement temperature within the maximum error range of 1.9%. LES CFD analysis was performed based on the RANS analysis results and it was confirmed that the temperature and wall heat flux for depth was consistent within an error range of 1.0% with BALI experiment. The LES CFD analysis results were compared with those of the Lagrangian-based solver. LES matched the temperature distribution better than SOPHIA, but SOPHIA calculated the position of boundary between stratified layer and convective layer more accurately. On the other hand, Lagrangian-based solver predicted several small eddy behaviors of the convective layer and LES predicted large vortex behavior. The vibration characteristics near the cooling part of the BALI experimental device were confirmed through Fast Fourier Transform (FFT) investigation. It was found that the power spectral density for pressure at least 10 times higher near the side cooling than near the top cooling.

음이온 중합법 기반 P3HT-b-P4VP 블록공중합체 정밀 합성 및 이의 용매에 따른 물리적 특성 변화 연구 (Synthesis of P3HT-b-P4VP via Anionic Polymerization and its Physical Properties in Various Solvents)

  • 황성연;박제영;오동엽
    • 공업화학
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    • 제29권3호
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    • pp.336-341
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    • 2018
  • 기존의 문헌에서는 poly(3-hexylthiophene)(P3HT) 기반의 블록공중합체를 합성하기 위해서 최소 4-5단계 이상의 복잡한 공정을 거쳐야 했고, 일반적으로 분자량, 분자량 분포 및 블록의 비를 조절하기 위해서 단량체 전환율 및 반응 시간을 계속해서 모니터링 해야 한다. 또한, 여러 가지 이유에서 합성 스케일이 수 mg에서 수 g으로 제한되었다. 본 연구에서는 음이온 중합법을 이용해서 P3HT-b-poly(4-vinylprydine) (P4VP)를 오직 2단계로 중합할 수 있었으며, 중합 스케일은 수십 g 정도가 가능하였다. 반응 도중 단량체 전환율 및 농도를 계속 모니터링 해야 하는 번거로움 없이 초기 단량체 당량비만으로 블록 비율과 분자량 분포를 정밀 조절할 수 있었다. 만들어진 P3HT-b-P4VP를 친수성 및 소수성 용매에 녹여 분자 거동을 살펴보았다. 용액의 특성이 용액 속 미셸 구조와 필름 코팅 후 모포로지에 영향을 미친다는 것을 확인했다. P3HT-b-P4VP의 물리적 특성은 적외선-자외선 분광분석법, 원자힘현미경 및 자외선 광전자 분광분석법을 이용하여 평가하였다.

Mod. 9Cr-1Mo강의 크리프 균열 성장 법칙의 파라메터 B와 q의 통계적 성질에 관한 연구 (On the Statistical Properties of the Parameters B and q in Creep Crack Growth Law, da/dt=B(C*)q, in the Case of Mod. 9Cr-1Mo Steel)

  • 김선진;박재영;김우곤
    • 대한기계학회논문집A
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    • 제35권3호
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    • pp.251-257
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    • 2011
  • 본 연구는 차세대 원자로의 후보 재료인 수정 9Cr-1Mo 강에 대한 크리프 균열 성장률 법칙, da/dt=B$(C^*)^q$의 파라메터 B와 q에 대한 통계적 성질에 대하여 취급하였다. 본 해석에 이용된 크리프 균열 성장 데이터는 $600^{\circ}C$의 일정 온도에서 5000N의 동일 하중하의 1/2 CT 시험편에 대하여 크리프 균열 성장 실험을 수행하였다. 크리프 균열 성장 거동은 크리프 균열 성장률 da/dt 와 파괴역학 파라메터 $C^*$와의 실험적 관계식으로부터 통계적으로 해석하였다. 각각의 시험편에 대한 파라메터 B와 q는 최소자승법에 의하여 결정하였다. B와 q에 대한 확률분포함수를 정규분포, 대수정규분포 그리고 와이블분포에 대하여 조사하였다. 본 연구에 의하면, B와 q의 확률분포함수는 대수정규분포와 와이블분포에 비교적 잘 따름을 알았다. 또한 이들 사이에는 강한 양의 선형적인 상관이 있음을 알았다.