• Wind and Structures
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• 제37권4호
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• pp.255-274
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• 2023

The aim of this paper is to enhance the accuracy of predicting time-averaged external surface pressures on low-rise buildings by utilizing Computational Fluid Dynamics (CFD) simulations. To achieve this, benchmark studies of the Silsoe cube and the Texas Tech University (TTU) experimental building are employed for comparison with simulation results. The paper is structured into three main sections. In the initial part, an appropriate domain size is selected based on the precision of mean pressure coefficients on the windward face of the cube, utilizing Reynolds Averaged Navier-Stokes (RANS) turbulence models. Subsequently, recommendations regarding the optimal computational domain size for an isolated building are provided based on revised findings. Moving on to the second part, the Silsoe cube model is examined within a horizontally homogeneous computational domain using more accurate turbulence models, such as Large Eddy Simulation (LES) and hybrid RANS-LES models. For computational efficiency, transient simulation settings are employed, building upon previous studies by the authors at the Windstorm Impact, Science, and Engineering (WISE) Lab, Louisiana State University (LSU). An optimal meshing strategy is determined for LES based on a grid convergence study. Three hybrid RANS-LES cases are investigated to achieve desired enhancements in the distribution of mean pressure coefficients on the Silsoe cube. In the final part, a 1:10 scale model of the TTU building is studied, incorporating the insights gained from the second part. The generated flow characteristics, including vertical profiles of mean velocity, turbulence intensity, and velocity spectra (small and large eddies), exhibit good agreement with full-scale (TTU) measurements. The results indicate promising roof pressures achieved through the careful consideration of meshing strategy, time step, domain size, inflow turbulence, near-wall treatment, and turbulence models. Moreover, this paper demonstrates an improvement in mean roof pressures compared to other state-of-the-art studies, thus highlighting the significance of CFD simulations in building aerodynamics.

• 통합자연과학논문집
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• 제5권4호
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• pp.216-219
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• 2012

Structure-based drug design possibly benefit from in silico methods that precisely predict the binding affinity of small molecules to target macromolecules. There are many limitations arise from the difficulty of predicting the binding affinity of a small molecule to a biological target with the current scoring functions. There is thus a strong interest in novel methodologies based on MD simulations that claim predictions of greater accuracy than current scoring functions, helpful for a regular use designed for drug discovery in the pharmaceutical industry. Herein, we report a short review on free energy calculations using MMPBSA method a useful method in structure based drug discovery.

• Smart Structures and Systems
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• 제14권6호
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• pp.1005-1030
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• 2014

The need for assessing dynamic response of typical industrial piping systems subjected to seismic loading motivated the authors to apply model reduction techniques to experimental dynamic substructuring. Initially, a better insight into the dynamic response of the emulated system was provided by means of the principal component analysis. The clear understanding of reduction basis requirements paved the way for the implementation of a number of model reduction techniques aimed at extending the applicability range of the hybrid testing technique beyond its traditional scope. Therefore, several hybrid simulations were performed on a typical full-scale industrial piping system endowed with a number of critical components, like elbows, Tee joints and bolted flange joints, ranging from operational to collapse limit states. Then, the favourable performance of the L-Stable Real-Time compatible time integrator and an effective delay compensation method were also checked throughout the testing campaign. Finally, several aspects of the piping performance were commented and conclusions drawn.

• 한국정밀공학회지
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• 제29권4호
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• pp.479-486
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• 2012

Two of fundamental approaches that can be used to understand ion-solid interaction are Monte Carlo (MC) and Molecular Dynamic (MD) simulations. For the simplicity of simulation Monte Carlo simulation method is widely preferred. In this paper, basic consideration and algorithm of Monte Carlo simulation will be presented as well as simulation results. Sputtering caused by incident ion beam will be discussed with distribution of sputtered particles and their energy distributions. Redeposition of sputtered particles that are experienced refraction at the substrate-vacuum interface additionally presented. In addition, reflection of incident ions with reflection coefficient will be presented together with spatial and energy distributions. This Monte Carlo simulation will be useful in simulating and describing ion beam related processes such as Ion beam induced deposition/etching process, local nano-scale distribution of focused ion beam implanted ions, and ion microscope imaging process etc.

• Wind and Structures
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• 제30권5호
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• pp.451-463
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• 2020

Two-dimensional numerical simulations are conducted at a low Reynolds number Re = 100 to investigate the near wake of three identical circular cylinders that are arranged in an equilateral triangular configuration. The incident angle of the three-cylinder configuration with respect to incoming flow is varied from θ = 0° to 60°, while the spacing between adjacent cylinders (L) covers a wide range of L/D = 1.25-7.0, where D is diameter of the cylinder. Typical flow structures in the near wake of the three-cylinder configuration are identified, including a single Karman vortex street, bistable flip-flopping near wake, anti-phase and/or in-phase vortex shedding, shear layer reattachment, and vortex impingement, depending on the configuration (L/D, θ). The behavior of Strouhal number (St) is discussed in detail, echoing the distinct structures of near wake. Furthermore, fluid forces on the individual cylinders are examined, which, though highly depending on (L/D, θ), exhibit a close correlation to the near wake behavior.

• 한국정보통신학회:학술대회논문집
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• 한국해양정보통신학회 2000년도 추계종합학술대회
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• pp.642-646
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• 2000

The use of neural-fuzzy system to model mesh seam welding is described in this paper. Conventional, automated process generally involves sophisticated sensing and control techniques applied to various processing parameters. Welding parameters affecting quality include the arc voltage, the welding current torch travel speed and the pressure and so on. The relationship between the welding parameters and weld quality is not a direct one, md' in addition, the effect of the weld parameter variables are not independent of the each other. The effectiveness of the proposed neuro-fuzzy algorithms is demonstrated by computer simulations.

• Bulletin of the Korean Chemical Society
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• 제24권2호
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• pp.178-182
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• 2003

The stress and the heat-flux auto-correlation functions in the Green-Kubo formulas for shear viscosity and thermal conductivity have non-decaying long-time tails. This problem can be overcome by improving the statistical accuracy by N (number of particles) times, considering the stress and the heat-flux of the system as properties of each particle. The mean square stress and the heat-flux displacements in the Einstein formulas for shear viscosity and thermal conductivity are non linear functions of time since the quantities in the mean square stress and the heat-flux displacements are not continuous under periodic boundary conditions. An alternative to these quantities is to integrate the stress and the heat-flux with respect to time, but the resulting mean square stress and heat-flux displacements are still not linear versus time. This problem can be also overcome by improving the statistical accuracy. The results for transport coefficients of liquid argon obtained are discussed.

• 대한기계학회:학술대회논문집
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• 대한기계학회 2008년도 추계학술대회A
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• pp.1784-1787
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• 2008

Molecular dynamics (MD) simulations are used to analyze behavior of copper nanowires under cyclic loading. The embedded atom method (EAM) potential is employed to represent atomic interaction. Cyclic load is applied in two ways (Forward Tension / Reverse Compression and Forward Compression / Reverse Tension). The results show that dislocations are piled up as a result of plastic deformation during alternate tensile and compressive loading. After cyclic loading with a change of direction, yield stress decreases in consequence of the effect by the dislocation pileups. On the other hand, under FC/RT cyclic load, phase transformation represent associated with mechanical twinning. And copper nanowire can return to almost former undeformed condition during tensile loading at 300K.

• Current Optics and Photonics
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• 제1권4호
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• pp.278-283
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• 2017

We theoretically study the dynamics of water tetramer in intense femtosecond laser pulses with different frequencies. The simulations are carried out by incorporating the molecular dynamics method non-adiabatically into the time-dependent local-density approximation (TDLDA-MD). Three typical scenarios of water tetramer including the normal vibration with enlarged OH bonds, free OH bonds breaking and the pure Coulomb explosion are presented by investigating the electronic and ionic dynamics. The result indicates that the ionization is enhanced and the corresponding fragmentation effect as well as the damping of the dipole moment are found more notably when increasing the laser frequency especially when the frequency falls in the resonant region of the absorption spectra. The study of the level depletion reveals that the ratio of the emission amount from different levels can be controlled by changing the laser frequency referring to the Keldysh parameter.

• 한국전산구조공학회:학술대회논문집
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• 한국전산구조공학회 2007년도 정기 학술대회 논문집
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• pp.433-438
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• 2007

Mechanical behavior of copper Nanowire is investigated, An FCC Nanowire model composed of 1,408 atoms is used for NID simulation, Simulations are performed within NVT ensemble setting without periodic boundary conditions, Nose-Poincare MD algorithm is employed to guarantee preservation of Hamiltonian. Numerical tensile tests are carried out with constant strain rate, Stress-strain curve is constructed from the calculated Cauchy stresses and specified strain values, Non-linear behavior appears around $\varepsilon$=0.064, At this instance, starting of structural reorientations are observed.