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Irregular boundaries can be readily seen in CFD and DSMC by solving the Boltzmann Equation. [1][2][3] In this paper, it is proposed that in MD simulations for irregular boundaries which can be described in equations (for instance High-order equations), the gradient descent algorithm could be utilized to determine the shortest distance between the boundary and an atom.
Irregular boundary has rarely been dealt with in MD simulation; the proposed approach offers a workable mechanism to be used to deal with any irregularly shaped curve provided they are described by an equation.
Simulation results justify the validity of the approach by showing that it can achieve small margin of error with fair calculation power.

Fattahi et al.[64] used aluminum nitride (AlN) to perform numerical simulations on a plate heat exchanger.
The geometry used for the simulation is illustrated in figure 1, which is based on experimental work done by [65].
The geometry is modeled using Ansys ICEM CFD software.
Commercial CFD software package FLUENT version 17.0 has been used for the simulation.
Monteiro, P.E.B. de Mello, Thermal performance and pressure drop in a ceramic heat exchanger evaluated using CFD simulations, Energy. 45 (2012) 489–496. https://doi.org/10.1016/j.energy.2012.02.012

In order to improve the efficiency, HPC cluster is employed to run the high fidelity analysis models, such as finite element analysis (FEA) model and computational fluid dynamics (CFD) model Software configuration.
Simulation results will be written in output file.
These parameters are regarded as input parameters in this simulation.
Fig.7 shows the integrated analysis models in ModelCenter.If the simulation results of baseline design are satisfied the design criterion, simulation comes into optimization process.
Teng Long, Huafeng Zhu: Journal of System Simulation, 22 (2010) 2311-2325

For this, numerical computer simulation was used with the aid of the Ansys Fluent software, in which simulations of water flow in a steady state occurred.
The simulations were performed considering the steady state and isothermal state.
After the execution of these models, the simulations were performed in the Ansys Fluent.
Sketch of distributor flap profiles used for simulation The numerical simulation was performed in the four models outlined in Fig. 4, from the results obtained in the simulation the two best ones were selected.
CFD Based Analysis of Combined Effect of Cavitation and Silt Erosion on Kaplan Turbine.

The assessment of evaporative cooling availability and utilization is done for five representative climatic cities, including Hong Kong, Shanghai, Beijing, Lanzhou and Urumqi in China, and the energy saving potential of the proposed air-conditioning system is analyzed by using a well validated building simulation code.
Recent advances in computer technology led to the use of the computational fluid dynamics (CFDs) to optimize the design of cooling tower for CC systems [7,8].
The slurry with a particle mass fraction of 0.3 is used for the simulation in this study, which is the upper band of mass fraction that still has a relatively low viscosity [12].
The chiller energy saving percentage has been obtained by using the energy simulation code ACCURACY based on hour-by-hour calculations.
Riffat, Numerical simulation of closed wet cooling towers for chilled systems, Applied Thermal Engineering 19 (12) (1999) 1279–1296

The numerical representation of transient temperature fields within the coating process may be calculated by computational fluid dynamics simulations (CFD) as well as by empirical equivalent models.
However, an efficient simulation process requires the identification of significant process parameters in order to avoid additional costs caused by oversized simulation time.
Fig. 6: Diagram of simulation process chain To transfer the upstream generated material- and part characteristics to the thermo mechanical simulation, a result mapping algorithm is used.
Therefore, the simulation process is supplemented by a springback calculation following the former deep drawing simulation.
The upstream performed deep drawing simulation generates significant part characteristics and defines the yield point in the thermo mechanical simulation due to strain hardening.

For the numerical solution, the computational fluid dynamic (CFD) package Ansys was applied, based on the finite volume method (FVM) [6,7,20].
According to Table 2, the RMS free surface elevation and air mass flow was carried out in 5 simulations.
The numerical simulation was divided in two steps.
CFD optimisation of an oscillating water column wave energy converter (Master’s thesis).
Numerical simulation of an oscillating water column device using a code based on Navier–Stokes equations.

The numerical analysis considers steady state condition however, the simulation model benefited with dynamic mode consideration too.
The simulation of various models with air flow and boundary parameter were designed and with concept of moving wall the thermal , air velocity pattern and graphs are obtained using CFD FLUENT simulation techniques so as to find most efficient ventilation design.
The research is further carried out to find out thermal resistive property of cavity wall and waste material fill cavity wall practically and later on by simulations using Ansys .
[9] Alexander Kayne , 2012, ‘Computational Fluid Dynamics (CFD) Modeling Of Mixed Convection Flows In Building Enclosures.’ , Dissertation Report, Washington University
[10] Aditya Peri , Piam Mario Fernandes & Chandrashekar Vishwanadha ,2011‘Numerical Simulation Of Air Flow In A General Wad Of A Hospital.’

The CFD software Fluent14.0 was utilized as a solver.
Fig. 2 Steady-state simulation value of Fig. 3 Steady-state simulation value of the spatial concentration field distribution spatial temperature field distribution Fig. 4 Steady-state simulation value of space Fig.5 Steady-state simulation values of velocity vector on the condition of boiling space streamline evaporation of fuel The data of thermocouple and concentration sensor were real-time acquired and displayed on computer and were refreshed once every minute.
The comparison between experimental values and simulation results are shown in from Fig.6 to Fig.9.
It can be seen from Fig.6 to Fig.9, the simulation value of space concentration distribution in the 0.1m is smaller than the experimental measured value.
While in 0.2m and 0.3m, simulation value is larger than the experimental measured value in the first 60 seconds, and then simulation value is smaller than the measured value, and the deviation between them becomes larger with time.

National Institute of Standards and Technology (NIST).This software provides a computational fluid dynamics (CFD) calculation method based on large eddy simulation (LES).The FDS can be used to simulate 3D fire scenarios, and is capable of more accurately estimating physical data, such as pressure, temperature, velocity, and flow of smoke at a fire site [4-8].
Room dimensions in the simulation model Room No.
The results of the simulation were similar to the actual fire site (Figure 4).
Until the simulation was completed at 1680 s, the CO concentration was maintained between 2000 and2500 ppm.
The simulation results were obtained in Room 20.