• Title/Summary/Keyword: Implicit time integration

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Explicit time integration algorithm for fully flexible cell simulation (외연적 적분 기법을 적용한 Fully Flexible Cell 분자 동영학 시뮬레이션)

  • Park Shi-Dong;Cho Maeng-Hyo
    • Proceedings of the Computational Structural Engineering Institute Conference
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    • 2006.04a
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    • pp.389-394
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    • 2006
  • Fully flexible cell preserves Hamiltonian in structure, so the symplectic time integrator is applied to the equations of motion. Primarily, generalized leapfrog time integration (GLF) is applicable, but the equations of motion by GLF have some of implicit formulas. The implicit formulas give rise to a complicate calculation for coding and need an iteration process. In this paper, the time integration formulas are obtained for the fully flexible cell molecular dynamics simulation by using the splitting time integration. It separates flexible cell Hamiltonian into terms corresponding to each of Hamiltonian term, so the simple and completely explicit recursion formula was obtained. The explicit formulas are easy to implementation for coding and may be reduced the integration time because they are not need iteration process. We are going to compare the resulting splitting time integration with the implicit generalized leapfrog time integration.

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A Splitting Time Integrator for Fully Flexible Cell Molecular Dynamics (분할 적분 기법을 적용한 N-sigma-T 분자동역학 전산모사)

  • Park, Shi-Dong;Cho, Maeng-Hyo
    • Transactions of the Korean Society of Mechanical Engineers A
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    • v.31 no.8
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    • pp.826-832
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    • 2007
  • Fully flexible cell preserves Hamiltonian in structure so that the symplectic time integrator is applicable to the equations of motion. In the direct formulation of fully flexible cell N-Sigma-T ensemble, a generalized leapfrog time integration (GLF) is applicable for fully flexible cell simulation, but the equations of motion by GLF has structure of implicit algorithm. In this paper, the time integration formula is derived for the fully flexible cell molecular dynamics simulation by using the splitting time integration. It separates flexible cell Hamiltonian into terms corresponding to each of Hamiltonian term. Thus the simple and completely explicit recursion formula was obtained. We compare the performance and the result of present splitting time integration with those of the implicit generalized leapfrog time integration.

Study on the parallel processing algorithms with implicit integration method for real-time vehicle simulator development (실시간 차량 시뮬레이터 개발을 위한 암시적 적분기법을 이용한 병렬처리 알고리즘에 관한 연구)

  • 박민영;이정근;배대성
    • Proceedings of the Korean Society of Precision Engineering Conference
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    • 1995.10a
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    • pp.497-500
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    • 1995
  • In this paper, a program for real time simulation of a vehicle is developed. The program uses relative coordinates and BEF(Backward Difference Formula) numerical integration method. Numerical tests showed that the proposed implicit method is more stable in carring out the numerical integration for vehicl dynamics than the explicit method. Hardware requirements for real time simulation are suggested. Algorithms of parallel processing is developed with DSP (digital signal processor).

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Comparison of Semi-Implicit Integration Schemes for Rate-Dependent Plasticity (점소성 구성식의 적분에 미치는 선형화 방법의 영향)

  • Yoon, Sam-Son;Lee, Soon-Bok
    • Transactions of the Korean Society of Mechanical Engineers A
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    • v.27 no.11
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    • pp.1907-1916
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    • 2003
  • During decades, there has been much progress in understanding of the inelastic behavior of the materials and numerous inelastic constitutive equations have been developed. The complexity of these constitutive equations generally requires a stable and accurate numerical method. To obtain the increment of state variable, its evolution laws are linearized by several approximation methods, such as general midpoint rule(GMR) or general trapezoidal rule(GTR). In this investigation, semi-implicit integration schemes using GTR and GMR were developed and implemented into ABAQUS by means of UMAT subroutine. The comparison of integration schemes was conducted on the simple tension case, and simple shear case and nonproportional loading case. The fully implicit integration(FI) was the most stable but amplified the truncation error when the nonlinearity of state variable is strong. The semi-implicit integration using GTR gave the most accurate results at tension and shear problem. The numerical solutions with refined time increment were always placed between results of GTR and those of FI. GTR integration with adjusting midpoint parameter can be recommended as the best integration method for viscoplastic equation considering nonlinear kinematic hardening.

Nonlinear dynamic analysis by Dynamic Relaxation method

  • Rezaiee-Pajand, M.;Alamatian, J.
    • Structural Engineering and Mechanics
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    • v.28 no.5
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    • pp.549-570
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    • 2008
  • Numerical integration is an efficient approach for nonlinear dynamic analysis. In this paper, general category of the implicit integration errors will be discussed. In order to decrease the errors, Dynamic Relaxation method with modified time step (MFT) will be used. This procedure leads to an alternative algorithm which is very general and can be utilized with any implicit integration scheme. For numerical verification of the proposed technique, some single and multi degrees of freedom nonlinear dynamic systems will be analyzed. Moreover, results are compared with both exact and other available solutions. Suitable accuracy, high efficiency, simplicity, vector operations and automatic procedures are the main merits of the new algorithm in solving nonlinear dynamic problems.

Implicit Time Integration Scheme for Real-Time Hybrid Test System (실시간 하이브리드 실험 시스템을 위한 Implicit 시간적분법)

  • Jung, Rae-Young
    • Journal of the Earthquake Engineering Society of Korea
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    • v.10 no.5 s.51
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    • pp.99-106
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    • 2006
  • The Real-Time Hybrid Test system presented in this paper is based on the pseudodynamic test method, and it combines physical testing with model-based simulation. The system is designed to achieve a rate of loading that is significantly higher than that of a conventional pseudodynamic test approaching the real-time response of a structure subjected to earthquake loads. To provide robust computation environment for the analysis of many degree-of-freedom structures, the system adopts an implicit time integration scheme in the model-based simulation. This paper presents an overview of the developed system and numerical simulations that were conducted to evaluate the performance of the computation scheme adopted here. Results of these studies have demonstrated the good performance of the computation scheme for real-time multiple-degree-of-freedom tests.

New implicit higher order time integration for dynamic analysis

  • Alamatian, Javad
    • Structural Engineering and Mechanics
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    • v.48 no.5
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    • pp.711-736
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    • 2013
  • In this paper new implicit time integration called N-IHOA is presented for dynamic analysis of high damping systems. Here, current displacement and velocity are assumed to be functions of the velocities and accelerations of several previous time steps, respectively. This definition causes that only one set of weighted factors is calculated from the Taylor series expansion which leads to a simple approach and reduce the computational efforts. Moreover a comprehensive study on stability of the proposed method i.e., N-IHOA compared with IHOA integration which is performed based on amplification matrices proves the ability of the N-IHOA in high damping vibrations such as control systems. Also, wide range of numerical examples which contains single/multi degrees of freedom, damped/un-damped, free/forced vibrations from finite element/finite difference demonstrate that the accuracy and efficiency of the proposed time integration is more than the common approaches such as the IHOA, the Wilson-${\theta}$ and the Newmark-${\beta}$.

Implicit Large Eddy Simulations of a rectangular 5:1 cylinder with a high-order discontinuous Galerkin method

  • Crivellini, Andrea;Nigro, Alessandra;Colombo, Alessandro;Ghidoni, Antonio;Noventa, Gianmaria;Cimarelli, Andrea;Corsini, Roberto
    • Wind and Structures
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    • v.34 no.1
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    • pp.59-72
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    • 2022
  • In this work the numerical results of the flow around a 5:1 rectangular cylinder at Reynolds numbers 3 000 and 40 000, zero angle of attack and smooth incoming flow condition are presented. Implicit Large Eddy Simulations (ILES) have been performed with a high-order accurate spatial scheme and an implicit high-order accurate time integration method. The spatial approximation is based on a discontinuous Galerkin (dG) method, while the time integration exploits a linearly-implicit Rosenbrock-type Runge-Kutta scheme. The aim of this work is to show the feasibility of high-fidelity flow simulations with a moderate number of DOFs and large time step sizes. Moreover, the effect of different parameters, i.e., dimension of the computational domain, mesh type, grid resolution, boundary conditions, time step size and polynomial approximation, on the results accuracy is investigated. Our best dG result at Re=3 000 perfectly agrees with a reference DNS obtained using Nek5000 and about 40 times more degrees of freedom. The Re=40 000 computations, which are strongly under-resolved, show a reasonable correspondence with the experimental data of Mannini et al. (2017) and the LES of Zhang and Xu (2020).

Explicit integration algorithm for fully flexible unit cell simulation with recursive thermostat chains (순환적으로 결합되는 정온기들을 갖는 $N{\sigma}T$ 분자동역학 전산모사에 적용한 외연적 적분기법)

  • Jung, Kwang-Sub;Cho, Maeng-Hyo
    • Proceedings of the KSME Conference
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    • 2007.05a
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    • pp.512-517
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    • 2007
  • In the previous development of the recursive thermostat chained fully flexible cell molecular dynamics simulation, implicit time integration method such as generalized leapfrog integration is used. The implicit algorithm is very much complicated and not easy to show time reversibility because it is solved by the nonlinear iterative procedure. Thus we develop simple, explicit symplectic time integration formula for the recursive thermostat chained fully flexible unit cell simulation. Uniaxial tension test is performed to verify the present explicit algorithm. We check that the present simulation satisfies the ergodic hypothesis for various values of fictitious mass and coefficient of multiple thermostat system. The proposed method should be helpful to predict mechanical and thermal behavior of nano-scale structure.

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Numerical Characteristics of Hypersonic Air Chemistry and Application of Partially Implicit Time Integration Method (극초음속 공기반응의 수치해석적 특성과 부분 내재적 적분법 적용)

  • Kim, Seong-Lyong;Ok, Ho-Nam;Ra, Seung-Ho;Kim, In-Sun
    • Journal of the Korean Society for Aeronautical & Space Sciences
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    • v.31 no.7
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    • pp.1-8
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    • 2003
  • Numerical characteristics of air chemistry associated with hypersonic flows are described and are compared with those of hydrogen oxygen combustion, applying the partially implicit time integration method to air chemistry. This paper reveals that the time integration of air chemistry needs a chemical Jacobian for stable calculations. However the positive real eigenvalues in air chemistry are relatively smaller than those of hydrogen combustion, and the numerical integration is less sensitive than that with combustion. lt is also found that the application of the partia1ly irnplicit method reduces the computing time without numerical instabilities.