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代谢计算在分子稳定性分析中的应用
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作者 胡扬 年晓红 《计算机工程与科学》 CSCD 北大核心 2011年第11期71-74,共4页
本文总结了人工代谢算法当前的主要应用领域,分析了信息技术在分子模拟分析中的发展趋势,给出了应用于分子稳定性分析时的代谢计算编码设计模式。并以几种常见分子为例,基于代谢计算分析了物质的稳定性。分析结果表明了该方法的可行性... 本文总结了人工代谢算法当前的主要应用领域,分析了信息技术在分子模拟分析中的发展趋势,给出了应用于分子稳定性分析时的代谢计算编码设计模式。并以几种常见分子为例,基于代谢计算分析了物质的稳定性。分析结果表明了该方法的可行性和有效性。 展开更多
关键词 人工代谢算法 代谢计算 分子稳定性分析 分子建模
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Fourth-Order Splitting Methods for Time-Dependant Differential Equations 被引量:2
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作者 Jürgen Geiser 《Numerical Mathematics(Theory,Methods and Applications)》 SCIE 2008年第3期321-339,共19页
This study was suggested by previous work on the simulation of evolution equations with scale-dependent processes,e.g.,wave-propagation or heat-transfer,that are modeled by wave equations or heat equations.Here,we stu... This study was suggested by previous work on the simulation of evolution equations with scale-dependent processes,e.g.,wave-propagation or heat-transfer,that are modeled by wave equations or heat equations.Here,we study both parabolic and hyperbolic equations.We focus on ADI (alternating direction implicit) methods and LOD (locally one-dimensional) methods,which are standard splitting methods of lower order,e.g.second-order.Our aim is to develop higher-order ADI methods,which are performed by Richardson extrapolation,Crank-Nicolson methods and higher-order LOD methods,based on locally higher-order methods.We discuss the new theoretical results of the stability and consistency of the ADI methods.The main idea is to apply a higher- order time discretization and combine it with the ADI methods.We also discuss the dis- cretization and splitting methods for first-order and second-order evolution equations. The stability analysis is given for the ADI method for first-order time derivatives and for the LOD (locally one-dimensional) methods for second-order time derivatives.The higher-order methods are unconditionally stable.Some numerical experiments verify our results. 展开更多
关键词 Partial differential equations operator-splitting methods evolution equations ADImethods LOD methods stability analysis higher-order methods.
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Study on the Cylindrical Liquid Nanojet Break-up Phenomenon
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作者 ZHAO Jianbo 《Journal of Thermal Science》 SCIE EI CAS CSCD 2015年第2期194-201,共8页
In this paper the liquid argon nanojet break-up phenomenon was studied using the molecular dynamics method. The effects of temperature, nozzle diameter and body force on the nanojet break-up length and time were simu-... In this paper the liquid argon nanojet break-up phenomenon was studied using the molecular dynamics method. The effects of temperature, nozzle diameter and body force on the nanojet break-up length and time were simu- lated. Meanwhile, the particle size, wave length and the frequency of the disturbance were compared with the re- suits of linear stability analysis. The results showed that even though the fluid becomes discontinuous, the tradi- tional linear stability analysis can be used to make a rough calculation of the nanojet break-up. 展开更多
关键词 ARGON MD Nanojet BREAK-UP
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A Lattice Hydrodynamic Model for Trafc Flow Accounting for Driver Anticipation Efect of the Next-Nearest-Neighbor Site
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作者 彭光含 聂方彦 汪胜辉 《Communications in Theoretical Physics》 SCIE CAS CSCD 2013年第12期707-713,共7页
In this paper, a new lattice hydrodynamic model is proposed by incorporating the driver anticipation effect of next-nearest-neighbor site. The linear stability analysis and nonlinear analysis show that the driver anti... In this paper, a new lattice hydrodynamic model is proposed by incorporating the driver anticipation effect of next-nearest-neighbor site. The linear stability analysis and nonlinear analysis show that the driver anticipation effect of next-nearest-neighbor site can enlarge the stable area of traffic flow. The space can be divided into three regions: stab/e, metastable, and unstable. Numerical simulation further illuminates that the driver anticipation effect of the next-neaxest-neighbor site can stabilize tramc flow in our modified lattice model, which is consistent with the analytical results. 展开更多
关键词 traffic flow lattice model driver anticipation effect
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