• Title/Summary/Keyword: Lattice simulation

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Molecular Dynamics Simulation for Bilayers of Alkyl Thiol Molecules at Solid-Solid Interfaces

  • 이송희;김한수;박형숙
    • Bulletin of the Korean Chemical Society
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    • v.19 no.10
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    • pp.1047-1054
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    • 1998
  • We present the results of molecular dynamics simulations for three different systems of bilayers of long-chain alkyl thiol [S(CH2)15CH3] molecules on an solid-solid interface using the extended collapsed atom model for the chain-molecule. It is found that there exist two possible transitions: a continuous transition characterized by a change in molecular interaction between sites of different chain molecules with increasing area per molecule and a sudden transition from an ordered lattice-like state to a liquid-like state due to the lack of interactions between sites of chain molecules on different surfaces with increasing distance between two solid surfaces. The third system displays a smooth change in probability distribution characterized by the increment of gauche structure in the near-tail part of the chain with increasing area per molecule. The analyses of energetic results and chain conformation results demonstrate the characteristic change of chain structure of each system.

Homogenized elastic properties of graphene for moderate deformations

  • Marenic, Eduard;Ibrahimbegovic, Adnan
    • Coupled systems mechanics
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    • v.4 no.2
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    • pp.137-155
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    • 2015
  • This paper presents a simple procedure to obtain a substitute, homogenized mechanical response of single layer graphene sheet. The procedure is based on the judicious combination of molecular mechanics simulation results and homogenization method. Moreover, a series of virtual experiments are performed on the representative graphene lattice. Following these results, the constitutive model development is based on the well-established continuum mechanics framework, that is, the non-linear membrane theory which includes the hyperelastic model in terms of principal stretches. A proof-of-concept and performance is shown on a simple model problem where the hyperelastic strain energy density function is chosen in polynomial form.

CASMO-3/MASTER Pin Power Benchmarking for the B&W Critical Experiments

  • Kim, Kang-Seog;Song, Jae-Seung;Zee, Sung-Quun;Kim, Yong-Rae
    • Proceedings of the Korean Nuclear Society Conference
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    • 1996.05a
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    • pp.225-230
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    • 1996
  • A three-dimensional reactor core simulation code, MASTER has been developed as a part of ADONIS which is the Korean core design package in KAERI. CASMO-3 is used as a precedent lattice code for two-group microscopic cross section and heterogeneous formfunctions. The pin power reconstruction capability of CASMO-3/MASTER was evaluated for a validation and verification Five B&W critical experiments were selected as benchmark problems. These problems included two experiments for CE-type and three for WH-type fuel assemblies. Two of them contained gadolinia rods as burnable absorber. Comparison of the calculated pin power distributions with the measured ones demonstrate that CASMO-3/MASTER can predict the pin power distribution as well as CASMO-3/SIMULATE-3.

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Robust Hcontrol applied on a fixed wing unmanned aerial vehicle

  • Uyulan, Caglar;Yavuz, Mustafa Tolga
    • Advances in aircraft and spacecraft science
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    • v.6 no.5
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    • pp.371-389
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    • 2019
  • The implementation of a robust $H_{\infty}$ Control, which is numerically efficient for uncertain nonlinear dynamics, on longitudinal and lateral autopilots is realised for a quarter scale Piper J3-Cub model accepted as an unmanned aerial vehicle (UAV) under the condition of sensor noise and disturbance effects. The stability and control coefficients of the UAV are evaluated through XFLR5 software, which utilises a vortex lattice method at a predefined flight condition. After that, the longitudinal trim point is computed, and the linearization process is performed at this trim point. The "${\mu}$-Synthesis"-based robust $H_{\infty}$ control algorithm for roll, pitch and yaw displacement autopilots are developed for both longitudinal and lateral linearised nonlinear dynamics. Controller performances, closed-loop frequency responses, nominal and perturbed system responses are obtained under the conditions of disturbance and sensor noise. The simulation results indicate that the proposed control scheme achieves robust performance and guarantees stability under exogenous disturbance and measurement noise effects and model uncertainty.

Structural properties of β-Fe2O3 nanorods under compression and torsion: Molecular dynamics simulations

  • Kilic, Mehmet Emin;Alaei, Sholeh
    • Current Applied Physics
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    • v.18 no.11
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    • pp.1352-1358
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    • 2018
  • In recent years, one-dimensional (1D) magnetic nanostructures, such as magnetic nanorods and chains of magnetic nanoparticles have received great attentions due to the breadth of applications. Especially, magnetic nanorods has been opened an area of active research and applications in medicine, sensors, optofluidics, magnetic swimming, and microrheology since they possess the unique magnetic and geometric features. This study focuses on the molecular dynamics (MD) simulations of an infinitely long crystal ${\beta}-Fe_2O_3$ nanorod. To elucidate the structural properties and dynamics behavior of ${\beta}-Fe_2O_3$ nanorods, MD simulation is a powerful technique. The structural properties such as equation of state and radial distribution function of bulk ${\beta}-Fe_2O_3$ are performed by lattice dynamics (LD) simulations. In this work, we consider three main mechanisms affecting on deformation characteristics of a ${\beta}-Fe_2O_3$ nanorod: 1) temperature, 2) the rate of mechanical compression, and 3) the rate of mechanical torsion.

Circuit Extraction from MOS/LSI Mask Layout (집적회로 마스크 도면으로부터의 회로 추출)

  • Kim, Sung Soo;Kyung, Chong Min
    • Journal of the Korean Institute of Telematics and Electronics
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    • v.23 no.6
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    • pp.981-987
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    • 1986
  • This paper describes the CIREX(CIRcuit EXtractor), an automated CMOS circuit extraction program which provides SPICE2 input file by computing circuit connectivity and transistor dimensions from the CIF file. The CIREX also computes parasitic capacitance and resistance which makes it a valuable tool for timing analysis and detailed circuit simulation. A lattice model is used to calculate the interconnection resistances and substrate capacitances which can be replaced, as an option, by a node model for the worst case timing analysis of the circuit.

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Computational Simulation of Coaxial eVTOL Aircraft in Ground Effect (동축 반전 전기동력 수직이착륙기의 지면 효과에 대한 전산해석)

  • Yang, Jin-Yong;Lee, Hyeok-Jin;Myong, Rho-Shin;Lee, Hakjin
    • Journal of the Korean Society for Aeronautical & Space Sciences
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    • v.50 no.9
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    • pp.599-608
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    • 2022
  • Urban air mobility (UAM) equipped with rotor system is subject to ground effect at vertiport during takeoff and landing. The aerodynamic performance of the aircraft in ground effect should be analyzed for the safe operation. In this study, The ground effects on the aerodynamic performance and wake structure of the quadcopter electric vertical takeoff and landing (eVTOL) configuration equipped with coaxial counter-rotating propellers were investigated by using the lattice Boltzmann method (LBM). The influence of the ground effect was observed differently in the upper and lower propellers of the coaxial counter-rotating propeller system. There was no significant change in the aerodynamic performance of the upper propeller even if the propeller height above the ground was changed, whereas the averaged thrust and torque of the lower propeller increased significantly as propeller height decreased. In addition, the amplitude of the thrust fluctuation tended to increase as the propeller height decreased. The propeller wake was not sufficiently propagated downstream and was diffused along the ground due to the outwash flow developed by the ground effect. The impingement of the rotor wakes on the ground and a fountain vortex structure were observed.

Low-power Lattice Wave Digital Filter Design Using CPL (CPL을 이용한 저전력 격자 웨이브 디지털 필터의 설계)

  • 김대연;이영중;정진균;정항근
    • Journal of the Korean Institute of Telematics and Electronics D
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    • v.35D no.10
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    • pp.39-50
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    • 1998
  • Wide-band sharp-transition filters are widely used in applications such as wireless CODEC design or medical systems. Since these filters suffer from large sensitivity and roundoff noise, large word-length is required for the VLSI implementation, which increases the hardware size and the power consumption of the chip. In this paper, a low-power implementation technique for digital filters with wide-band sharp-transition characteristics is proposed using CPL (Complementary Pass-Transistor Logic), LWDF (Lattice Wave Digital Filter) and a modified DIFIR (Decomposed & Interpolated FIR) algorithm. To reduce the short-circuit current component in CPL circuits due to threshold voltage reduction through the pass transistor, three different approaches can be used: cross-coupled PMOS latch, PMOS body biasing and weak PMOS latch. Of the three, the cross-coupled PMOS latch approach is the most realistic solution when the noise margin as well as the energy-delay product is considered. To optimize CPL transistor size with insight, the empirical formulas for the delay and energy consumption in the basic structure of CPL circuits were derived from the simulation results. In addition, the filter coefficients are encoded using CSD (Canonic Signed Digit) format and optimized by a coefficient quantization program. The hardware cost is minimized further by a modified DIFIR algorithm. Simulation result shows that the proposed method can achieve about 38% reductions in power consumption compared with the conventional method.

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Simulation of Cracking Behavior Induced by Drying Shrinkage in Fiber Reinforced Concrete Using Irregular Lattice Model (무작위 격자 모델을 이용한 파이버 보강 콘크리트의 건조수축 균열 거동 해석)

  • Kim, Kunhwi;Park, Jong Min;Bolander, John E.;Lim, Yun Mook
    • KSCE Journal of Civil and Environmental Engineering Research
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    • v.30 no.4A
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    • pp.353-359
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    • 2010
  • Cementitious matrix based composites are vulnerable to the drying shrinkage crack during the curing process. In this study, the drying shrinkage induced fracture behavior of the fiber reinforced concrete is simulated and the effects of the fiber reinforcement conditions on the fracture characteristics are analysed. The numerical model is composed of conduit elements and rigid-body-spring elements on the identical irregular lattice topology, where the drying shrinkage is presented by the coupling of nonmechanical-mechanical behaviors handled by those respective element types. Semi-discrete fiber elements are applied within the rigid-body-spring network to model the fiber reinforcement. The shrinkage parameters are calibrated through the KS F 2424 free drying shrinkage test simulation and comparison of the time-shrinkage strain curves. Next, the KS F 2595 restrained drying shrinkage test is simulated for various fiber volume fractions and the numerical model is verified by comparison of the crack initiating time with the previous experimental results. In addition, the drying shrinkage cracking phenomenon is analysed with change in the length and the surface shape of the fibers, the measurement of the maximum crack width in the numerical experiment indicates the judgement of the crack controlling effect.

Effect of Boron Content and Temperature on Interactions and Electron Transport in BGaN Bulk Ternary Nitride Semiconductors

  • Bouchefra, Yasmina;Sari, Nasr-Eddine Chabane
    • Transactions on Electrical and Electronic Materials
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    • v.18 no.1
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    • pp.7-12
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    • 2017
  • This work takes place in the context of the development of a transport phenomena simulation based on group III nitrides. Gallium and boron nitrides (GaN and BN) are both materials with interesting physical properties; they have a direct band gap and are relatively large compared to other semiconductors. The main objective of this paper is to study the effect of boron content on the electron transport of the ternary compound $B_xGa_{(1-x)}N$ and the effect of the temperature of this alloy at x=50% boron percentage, specifically the piezoelectric, acoustic, and polar optical scatterings as a function of the energy, and the electron energy and drift velocity versus the applied electric field for different boron compositions ($B_xGa_{(1-x)}N$), at various temperatures for $B_{0.5}Ga_{0.5}N$. Monte carlo simulation, was employed and the three valleys of the conduction band (${\Gamma}$, L, X) were considered to be non-parabolic. We focus on the interactions that do not significantly affect the behavior of the electron. Nevertheless, they are introduced to obtain a quantitative description of the electronic dynamics. We find that the form of the velocity-field characteristic changes substantially when the temperature is increased, and a remarkable effect is observed from the boron content in $B_xGa_{(1-x)}N$ alloy and the applied field on the dynamics of holders within the lattice as a result of interaction mechanisms.