• Title/Summary/Keyword: Lattice simulation

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Modeling Virtual Ecosystems that Consist of Artificial Organisms and Their Environment (인공생명체와 그들을 둘러싸는 환경으로 구성 되어지는 가상생태계 모델링)

  • Lee, Sang-Hee
    • Korean Journal of Agricultural and Forest Meteorology
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    • v.12 no.2
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    • pp.122-131
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    • 2010
  • This paper introduces the concept of a virtual ecosystem and reports the following three mathematical approaches that could be widely used to construct such an ecosystem, along with examples: (1) a molecular dynamics simulation approach for animal flocking behavior, (2) a stochastic lattice model approach for termite colony behavior, and (3) a rule-based cellular automata approach for biofilm growth. The ecosystem considered in this study consists of artificial organisms and their environment. Each organism in the ecosystem is an agent that interacts autonomously with the dynamic environment, including the other organisms within it. The three types of model were successful to account for each corresponding ecosystem. In order to accurately mimic a natural ecosystem, a virtual ecosystem needs to take many ecological variables into account. However, doing so is likely to introduce excess complexity and nonlinearity in the analysis of the virtual ecosystem's dynamics. Nonetheless, the development of a virtual ecosystem is important, because it can provide possible explanations for various phenomena such as environmental disturbances and disasters, and can also give insights into ecological functions from an individual to a community level from a synthetic viewpoint. As an example of how lower and higher levels in an ecosystem can be connected, this paper also briefly discusses the application of the second model to the simulation of a termite ecosystem and the influence of climate change on the termite ecosystem.

A Molecular Dynamics Simulation Study of Trioctahedral Clay Minerals (삼팔면체 점토광물에 대한 분자동역학 시뮬레이션 연구)

  • Lee, Jiyeon;Lee, Jin-Yong;Kwon, Kideok D.
    • Journal of the Mineralogical Society of Korea
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    • v.30 no.4
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    • pp.161-172
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    • 2017
  • Clay minerals play a major role in the geochemical cycles of metals in the Critical Zone, the Earth surface-layer ranging from the groundwater bottom to the tree tops. Atomistic scale research of the very fine particles can help understand the fundamental mechanisms of the important geochemical processes and possibly apply to development of hybrid nanomaterials. Molecular dynamics (MD) simulations can provide atomistic level insights into the crystal structures of clay minerals and the chemical reactivity. Classical MD simulations use a force field which is a parameter set of interatomic pair potentials. The ClayFF force field has been widely used in the MD simulations of dioctahedral clay minerals as the force field was developed mainly based on dioctahedral phyllosilicates. The ClayFF is often used also for trioctahedral mineral simulations, but disagreement exits in selection of the interatomic potential parameters, particularly for Mg atom-types of the octahedral sheet. In this study, MD simulations were performed for trioctahedral clay minerals such as brucite, lizardite, and talc, to test how the two different Mg atom types (i.e., 'mgo' or 'mgh') affect the simulation results. The structural parameters such as lattice parameters and interatomic distances were relatively insensitive to the choice of the parameter, but the vibrational power spectra of hydroxyls were more sensitive to the choice of the parameter particularly for lizardite.

Fates of water and salts in non-aqueous solvents for directional solvent extraction desalination: Effects of chemical structures of the solvents

  • Choi, Ohkyung;Kim, Minsup;Cho, Art E.;Choi, Young Chul;Kim, Gyu Dong;Kim, Dooil;Lee, Jae Woo
    • Membrane and Water Treatment
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    • v.10 no.3
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    • pp.207-212
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    • 2019
  • Non-aqueous solvents (NASs) are generally known to be barely miscible, and reactive with polar compounds, such as water. However, water can interact with some NASs, which can be used as a new means for water recovery from saline water. This study explored the fate of water and salt in NAS, when saline water is mixed with NAS. Three amine solvents were selected as NAS. They had the same molecular formula, but were differentiated by their molecular structures, as follows: 1) NAS 'A' having the hydrophilic group ($NH_2$) at the end of the straight carbon chain, 2) NAS 'B' with symmetrical structure and having the hydrophilic group (NH) at the middle of the straight carbon chain, 3) NAS 'C' having the hydrophilic group ($NH_2$) at the end of the straight carbon chain but possessing a hydrophobic ethyl branch in the middle of the structure. In batch experiments, 0.5 M NaCl water was blended with NASs, and then water and salt content in the NAS were individually measured. Water absorption efficiencies by NAS 'B' and 'C' were 3.8 and 10.7%, respectively. However, salt rejection efficiency was 98.9% and 58.2%, respectively. NAS 'A' exhibited a higher water absorption efficiency of 35.6%, despite a worse salt rejection efficiency of 24.7%. Molecular dynamic (MD) simulation showed the different interactions of water and salts with each NAS. NAS 'A' formed lattice structured clusters, with the hydrophilic group located outside, and captured a large numbers of water molecules, together with salt ions, inside the cluster pockets. NAS 'B' formed a planar-shaped cluster, where only some water molecules, but no salt ions, migrated to the NAS cluster. NAS 'C', with an ethyl group branch, formed a cluster shaped similarly to that of 'B'; however, the boundary surface of the cluster looked higher than that of 'C', due to the branch structure in solvent. The MD simulation was helpful for understanding the experimental results for water absorption and salt rejection, by demonstrating the various interactions between water molecules and the salts, with the different NAS types.

A Comparison Study of Input ESD Protection schemes Utilizing Thyristor and Diode Devices (싸이리스터와 다이오드 소자를 이용하는 입력 ESD 보호방식의 비교 연구)

  • Choi, Jin-Young
    • Journal of the Institute of Electronics Engineers of Korea SD
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    • v.47 no.4
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    • pp.75-87
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    • 2010
  • For two input-protection schemes suitable for RF ICs utilizing the thyristor and diode protection devices, which can be fabricated in standard CMOS processes, we attempt an in-depth comparison on HBM ESD robustness in terms of lattice heating inside protection devices and peak voltages developed across gate oxides in input buffers, based on DC, mixed-mode transient, and AC analyses utilizing a 2-dimensional device simulator. For this purpose, we construct an equivalent circuit for an input HBM test environment of a CMOS chip equipped with the input ESD protection circuits, which allows mixed-mode transient simulations for various HBM test modes. By executing mixed-mode simulations including up to six active protection devices in a circuit, we attempt a detailed analysis on the problems, which can occur in real tests. In the procedure, we suggest to a recipe to ease the bipolar trigger in the protection devices and figure out that oxide failure in internal circuits is determined by the junction breakdown voltage of the NMOS structure residing in the protection devices. We explain the characteristic differences of two protection schemes as an input ESD protection circuit for RF ICs, and suggest valuable guidelines relating design of the protection devices and circuits.

A Study on a Planar Array Antenna Design with a Flat-Topped Radiation Pattern (구형 방사 패턴을 갖는 평면 배열 안테나 설계에 대한 연구)

  • Eom Soon-Young;Pyo Cheol-Sig;Jeon Soon-Ick;Kim Chang-Joo
    • The Journal of Korean Institute of Electromagnetic Engineering and Science
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    • v.15 no.9
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    • pp.896-905
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    • 2004
  • In this paper, the design, fabrication and experiment on a planar array antenna with a flat-topped radiation pattern for a mobile base station antenna were described. The current distribution of an antenna aperture, which is easily realizable in a feeding network compared with the conventional one of sin(x)/x was optimized for shaping a desired flat-topped radiation pattern. The planar array antenna designed in this paper has a rectangular lattice and is composed of array elements of 16${\times}$8. Each radiating element, which is a microstrip element fed coaxially, has a linear vertical polarization and the feed network which use a Wilkinson power divider and a 180$^{\circ}$ ring hybrid coupler as a base element is designed. The flat-topped radiation pattern with 90$^{\circ}$ is shaped by 16 array elements with the element spacing of 0.55 λ$_{ο}$ in the azimuth plane, and the normal radiation pattern with 10$^{\circ}$ is shaped by 8 array elements with the element spacing of 0.65 λ$_{ο}$ in the elevation plane. Also, the planar array antenna is symmetrically divided into four parts. It consists of one hundred-twenty-eight radiating elements, thirty-two 1-4 column dividers, low 1-8 row dividers and one 1-4 input power divider. In order to verify electrical performances of the planar way antenna proposed in this paper, the experimental breadboard operated in tile band of 1.92~2.17 GHz(IMT2000 band) was fabricated, and its experimental results were a good agreement with simulation ones.

Comparison of Two Methods for Determining Initial Radius in the Sphere Decoder (스피어 디코더에서 초기 반지름을 결정하는 두 가지 방법에 대한 비교 연구)

  • Jeon, Eun-Sung;Kim, Yo-Han;Kim, Dong-Ku
    • Journal of Advanced Navigation Technology
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    • v.10 no.4
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    • pp.371-376
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    • 2006
  • The initial radius of sphere decoder has great effect on the bit error rate performance and computational complexity. Until now, it has been determined either by considering the statistical property of channel or by using of MMSE solution. The initial radius obtained by using statistical property of channel includes the lattice point corresponding to the transmit signal vector with very high probability. The method using MMSE solution first calculates out the MMSE solution of the received signal, then maps the hard decision of this solution into the received signal space, and finally the distance between the mapped point and the received signal is selected as the initial radius of the sphere decoding. In this paper, we derive a simple equation for initial radius selection which uses statistical property of channel and compare it with the method using MMSE solution. To compare two methods we define new metric 'Tightness'. Through the simulation, we observe that in low and moderate SNR region, the method using MMSE solution provides more complexity reduction for decoding while in high SNR region, the method using channel statistics is better.

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Precipitation Hardening by Holding After Simulated Complete Firing in a Metal-Ceramic Alloy of Pd-Au-Ag-Sn System (금속-세라믹용 Pd-Au-Ag-Sn계 합금의 모의소성 후 계류에 따른 석출경화)

  • Kim, Min-Jung;Shin, Hye-Jung;Kwon, Yong-Hoon;Kim, Hyung-Il;Seol, Hyo-Joung
    • Korean Journal of Dental Materials
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    • v.43 no.4
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    • pp.343-349
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    • 2016
  • This experiment was carried out to examine whether the post-firing heat treatment is effective in increasing the hardness of metal-ceramic alloy of the Pd-Au-Ag-Sn system. Precipitation hardening by holding at $600^{\circ}C$ after simulated complete porcelain firing in a metal-ceramic alloy of the Pd-Au-Ag-Sn system was examined by observing the change in hardness, crystal structure, and microstructure using a hardness test, X-ray diffraction (XRD), and field emission scanning electron microscopy (FE-SEM). The hardness of the alloy increased apparently by holding the specimen at $600^{\circ}C$ for 30 min after simulated complete porcelain firing. The formation of fine grain interior precipitates during holding at $600^{\circ}C$ caused the formation of lattice strain in the grain interior, resulting in apparent hardening. The faster cooling rate (stage 0) during simulated complete porcelain firing resulted in more effective precipitation hardening during holding at $600^{\circ}C$. From the above results, an appropriate post-firing heat treatment, such as holding at $600^{\circ}C$ for 30 min after complete porcelain firing may increase the durability of metal-ceramic prostheses composed of Pd-Au-Ag-Sn alloy.

Simulation and Examination for Beam Profile of DFB Laser with an Anti-reflection Coated Mirror (무반사 면을 갖는 DFB 레이저의 빔 분포 시뮬레이션과 검정)

  • Kwon, Kee-Young;Ki, Jang-Geun
    • Journal of Software Assessment and Valuation
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    • v.16 no.1
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    • pp.55-63
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    • 2020
  • Lasers for optical broadband communication systems should have excellent frequency selectivity and modal stability. DFB lasers have low lasing frequency shift during high speed current modulation. In this paper, when a refractive index grating and a gain grating are simultaneously present in a DFB laser having a wavelength of 1.55 ㎛, the dielectric film is coated so that reflection does not occur on the right mirror surface, so that ρr=0. For the first mode, which requires a minimum gain at the threshold, the beam distribution of the oscillation mode in the longitudinal direction and the radiated power ratio Pl/Pr were analyzed and compared for the cases of the phase of ρl=π and π/2. If the phase of ρl=π, in order to obtain a low threshold current and high frequency stability, κL should be greater than 8. In the case of the phase of ρl=π/2, for low threshold current, κL is necessary to be 1.0, where the oscillation frequency coincides with the lattice frequency. DFB lasers with an anti-reflection coated mirror have excellent mode selectivity than 1.55um DFB lasers with two mirror facets

Adsorption Characteristics of Nitrogen in Carbonaceous Micropore Structures with Local Molecular Orientation (국부분자배향의 탄소 미세기공 구조에 대한 질소의 흡착 특성)

  • Seo, Yang Gon
    • Clean Technology
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    • v.28 no.3
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    • pp.249-257
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    • 2022
  • The adsorption equilibria of nitrogen on a region of nanoporous carbonaceous adsorbent with local molecular orientation (LMO) were calculated by grand canonical Monte Carlo simulation at 77.16 K. Regions of LMO of identical size were arranged on a regular lattice with uniform spacing. Microporosity was predominately introduced to the model by removing successive out-of-plane domains from the regions of LMO and tilting pores were generated by tilting the basic structure units. This pore structure is a more realistic model than slit-shaped pores for studying adsorption in nanoporous carbon adsorbents. Their porosities, surface areas, and pore size distributions according to constrained nonlinear optimization were also reported. The adsorption in slit shaped pores was also reported for reference. In the slit shaped pores, a clear hysteresis loop was observed in pores of greater than 5 times the nitrogen molecule size, and in capillary condensation and reverse condensation, evaporation occurred immediately at one pressure. In the LMO pore model, three series of local condensations at the basal slip plane, armchair slip plane and interconnected channel were observed during adsorption at pore sizes greater than about 6 times the nitrogen molecular size. In the hysteresis loop, on the other hand, evaporation occurred at one or two pressures during desorption.

Determination of Exposure during Handling of 125I Seed Using Thermoluminescent Dosimeter and Monte Carlo Method Based on Computational Phantom

  • Hosein Poorbaygi;Seyed Mostafa Salimi;Falamarz Torkzadeh;Saeid Hamidi;Shahab Sheibani
    • Journal of Radiation Protection and Research
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    • v.48 no.4
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    • pp.197-203
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    • 2023
  • Background: The thermoluminescent dosimeter (TLD) and Monte Carlo (MC) dosimetry are carried out to determine the occupational dose for personnel in the handling of 125I seed sources. Materials and Methods: TLDs were placed in different layers of the Alderson-Rando phantom in the thyroid, lung and also eyes and skin surface. An 125I seed source was prepared and its activity was measured using a dose calibrator and was placed at two distances of 20 and 50 cm from the Alderson-Rando phantom. In addition, the Monte Carlo N-Particle Extended (MCNPX 2.6.0) code and a computational phantom with a lattice-based geometry were used for organ dose calculations. Results and Discussion: The comparison of TLD and MC results in the thyroid and lung is consistent. Although the relative difference of MC dosimetry to TLD for the eyes was between 4% and 13% and for the skin between 19% and 23%, because of the existence of a higher uncertainty regarding TLD positioning in the eye and skin, these inaccuracies can also be acceptable. The isodose distribution was calculated in the cross-section of the head phantom when the 125I seed was at two distances of 20 and 50 cm and it showed that the greatest dose reduction was observed for the eyes, skin, thyroid, and lungs, respectively. The results of MC dosimetry indicated that for near the head positions (distance of 20 cm) the absorbed dose rates for the eye lens, eye and skin were 78.1±2.3, 59.0±1.8, and 10.7±0.7 µGy/mCi/hr, respectively. Furthermore, we found that a 30 cm displacement for the 125I seed reduced the eye and skin doses by at least 3- and 2-fold, respectively. Conclusion: Using a computational phantom to monitor the dose to the sensitive organs (eye and skin) for personnel involved in the handling of 125I seed sources can be an accurate and inexpensive method.