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New integrator for molecular dynamics simulations

COMPUTER PHYSICS COMMUNICATIONS 2002年第1-2期147卷 733-736页

作者： Khakimov, ZM Uzbek Acad Sci Inst Nucl Phys Tashkent 702132 Uzbekistan

New third-order algorithms are proposed for integrating Newtonian equations of motion, which are more accurate and efficient than well-known algorithms, including high-order predictor-corrector ones. They enable one to increase noticeable typical time steps (similar to1 fs) in molecular dynamics simulations or to improve energy conservation by two orders of magnitude at high time steps. The algorithms are tested for the exactly solvable harmonic potential well model and for a silicon cluster using a tight-binding method for force calculations. (C) 2002 Elsevier Science B.V. All rights reserved.

关键词： molecular dynamics integration algorithm energy conservation harmonic potential model tight-binding model

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The Research on System Reliability in Complex External Conditions Based on SVM

The Research on System Reliability in Complex External Condi...

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International Conference on Advanced Research on Electronic Commerce, Web Application, and Communication

作者： Wan, Yi Xu, Yue Wenzhou Univ Coll Phys & Elect Informat Engn Wenzhou Peoples R China

ISBN: (纸本)9783642203664

Analysis method based on support vector machine and finite element combined with Monte Carlo is applied for the parts in complex external conditions or surroundings, it is difficult to built reliability model of the parts in complex the external conditions or surroundings and it is difficult to establish stress and intention distribution and joint probability density because they work in an uncertain environment, the support vector machine has a good generalization ability prediction ability, integration algorithm based on support vector machine, finite element and Monte Carlo can solve the questions and can excellently use for reliability simulation and calculation for complex and certain system. It is used for reliability analysis of catenary parts in the high-speed electrified railway. integration algorithm mathematic model of reliability analysis for location hook is built, and the outside parameter influence on wrist-arm of location hook is analyzed by the model.

关键词： integration algorithm support vector machine location hook complex the external conditions or surroundings Reliability analysis catenary

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IV-IDM: Reliable Intrusion Detection Method based on Involution and Voting

IV-IDM: Reliable Intrusion Detection Method based on Involut...

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IEEE International Conference on Communications (ICC)

作者： Han, Xueying Dong, Pu Liu, Song Jiang, Bo Lu, Zhigang Cui, Zelin Chinese Acad Sci Inst Informat Engn Beijing Peoples R China Univ Chinese Acad Sci Sch Cyber Secur Beijing Peoples R China

ISBN: (数字)9781538683477

ISBN: (纸本)9781538683477

Intrusion detection is critical in the area of cyberspace security. Deep learning methods, especially CNN, have been widely used in intrusion detection in recent years. Network traffic is usually converted into images for processing. However, images converted from network traffic do not have multi-channel features like real-world pictures and have explicit long-distance dependencies between pixels. These characteristics will cause weak performance and poor explanation, making images converted from network traffic unsuitable to be processed by CNN. Besides, most works only consider the first few packets (named head packets) in a flow, which contains the information about connection establishment and interaction between two parts. However, the last few packets (named tail packets) are omitted, resulting in the loss of information about disconnection. To handle the above problems, we propose a reliable intrusion detection model called IV-IDM. Instead of convolution, IV-IDM uses a new structure, involution. Involution has the properties of spatial-specific and channel-agnostic and is more suitable for intrusion detection tasks than convolution. We also propose I-Res, which is constructed based on involution and is used as the base classifier of IV-IDM. We use head and tail packets of a flow as the inputs to two I-Res respectively to learn richer information and employ a voting algorithm to integrate the results of these two parts to promote the robustness of the model. Finally, IV-IDM is evaluated by the ISCX-IDS-2012 and the CIC-IDS-2017 datasets. The experimental results demonstrate that IV-IDM outperforms the state-of-the-art models and is qualified for intrusion detection.

关键词： intrusion detection involution convolution integration algorithm deep learning

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New integrator for molecular dynamics simulations

New integrator for molecular dynamics simulations

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Europhysics Conference on Computational Physics (CCP 2001)

作者： Khakimov, ZM Uzbek Acad Sci Inst Nucl Phys Tashkent 702132 Uzbekistan

关键词： molecular dynamics integration algorithm energy conservation harmonic potential model tight-binding model

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NUMERICAL IMPLEMENTATION OF AN ELASTOPLASTIC MODEL FOR UNSATURATED SOILS

NUMERICAL IMPLEMENTATION OF AN ELASTOPLASTIC MODEL FOR UNSAT...

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11th International Conference on Computational Plasticity (COMPLAS) - Fundamentals and Applications

作者： Gonzalez, Nubia A. Gens, Antonio Univ Politecn Cataluna Dept Geotech Engn & Geosci ES-08034 Barcelona Spain

ISBN: (纸本)9788489925731

This paper describes some issues related to the numerical implementation of a constitutive model for unsaturated soils based on the BBM [1]. The focus of the paper is on the stress variables used and on the numerical algorithms adopted. Conventional stress variable approach (net stress and suction) as well as the approach that takes into account the degree of saturation (Bishop's stress and suction) are examined. To solve the constitutive stress-strain equations, two stress integration procedures have been implemented, an explicit stress integration scheme with automatic substepping and error control techniques [2] and a fully implicit stress integration scheme based on the Backward-Euler algorithm with substepping [3]. Their performances during the integration of the constitutive laws are compared.

关键词： Unsaturated soils constitutive model integration algorithm elastoplasticity stress variables

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Ephemeris validation of Rendezvous Guidance in Lunar NRHO

Ephemeris validation of Rendezvous Guidance in Lunar NRHO

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AIAA Science and Technology Forum and Exposition (AIAA SciTech Forum)

作者： Bucchioni, G. Innocenti, M. Univ Pisa Dept Informat Engn I-56128 Pisa Italy

ISBN: (数字)9781624106095

ISBN: (纸本)9781624106095

The paper proposes a comparison between the circular restricted three body problem, the elliptic restricted three body problem and an Ephemeris model for describing rendezvous and berthing manoeuvres in the presence of a non negligible third body influence. The context in which the work was developed is the autonomous rendezvous operations in Cislunar space for ESA's HERACLES mission. The purpose of the mission is to show the progress of autonomous operations in space. In particular, the paper focuses on the final part of this mission: the autonomous rendezvous between a passive vehicle on a NRHO and an active vehicle coming from the Moon surface. The work also analyzes the approaching guidance, designed under elliptic restricted three body problem hypotheses, with the Earth-Moon Ephemeris model implemented in the General Mission Analysis Tool (GMAT) by NASA.

关键词： Ephemeris Near Rectilinear Halo Orbit General Mission Analysis Tool Moon Planets Rendezvous Guidance Inertial Reference System integration algorithm Open Source Software Newton's Second Law

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INS/FMCW Radar Integrated Local Positioning System 8

INS/FMCW Radar Integrated Local Positioning System

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DGON Inertial Sensors and Systems Symposium (ISS)

作者： Al-Qudsi, B. Edwan, E. Joram, N. Ellinger, F. Tech Univ Dresden Chair Circuit Design & Network Theory Helmholtzstr 18 D-01069 Dresden Germany

ISBN: (纸本)9781479946631

The aim of this research paper is to explore the feasibility of integrating an inertial measurement unit (IMU) with a frequency-modulated continuous wave (FMCW)-based local positioning system (LPS) to mitigate the effects of multipath bias in highly reflective indoor scenarios. The LPS uses a time difference of arrival (TDOA) positioning scheme. The IMU consists of accelerometer and gyroscope triads. Using a proper integration algorithm combined with a zero-velocity update (ZUPT) technique, a mitigation of about 40% is achieved in terms of the overall LPS position absolute

关键词： CW radar FM radar accelerometers direction-of-arrival estimation gyroscopes inertial navigation measurement errors 'MU FMCW radar INS LPS position absolute error TDOA positioning scheme ZUPT technique accelerometer frequency modulated continuous wave gyroscope inertial measurement unit integration algorithm local positioning system multipath bias effects mitigation time difference of arrival zero-velocity update Accuracy Base stations Chirp Frequency modulation Mobile communication Radar measurements Gyroscopes accelerometers Time difference of arrival integral algorithm frequency modulated radars Positioning systems frequency-modulated-continuous-wave radar INERTIAL MEASUREMENT UNITS Radar measurement Frequency modulation INERTIAL NAVIGATION Direction of arrival estimation BASE STATION Chirp modulation mobile communication

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On the Relation between the Accelerometer and the Gyroscope Measurements 29

On the Relation between the Accelerometer and the Gyroscope ...

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29th International Conference on Applied Electronics (AE)

作者： Mischie, Septimiu Matiu-Iovan, Liliana Politehn Univ Timisoara Fac Elect Telecommun & Informat Technol Timisoara Romania

ISBN: (纸本)9798350362299;9798350350739

This paper investigates the use of microelectromechanical systems such as gyroscope and accelerometer. One issue regarding these devices is their calibration. If accelerometer calibration does not imply special problems, gyroscope calibration is more difficult. Thus, one of the methods for gyroscope calibration is based on the relation between accelerometer and gyroscope measurements. We present two such relations. The first one uses the fact that the derivative of the accelerometer measurements is equal with the cross product between the accelerometer measurements itself and the angular rate. The second method computes the accelerometer measurements as a product between the rotation matrix and initial value of the accelerometer measurements. The angles used in the rotation matrix are computed using the integration of gyroscope measurements. We present experimental results that demonstrate the two claims. Data measurements are acquired either from a smartphone or a device that contains inertial sensors and is compatible with Bluetooth low energy. Finally, we conclude about the gyroscope calibration.

关键词： accelerometer gyroscope rotation matrix cross product integration algorithm calibration MATLAB

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An algorithm of Computing Inhomogeneous Differential Equations for Definite Integrals

An Algorithm of Computing Inhomogeneous Differential Equatio...

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3rd International Congress on Mathematical Software

作者： Nakayama, Hiromasa Nishiyama, Kenta Kobe Univ Grad Sch Sci Dept Math Nada Ku 1-1 Rokkodai Kobe Hyogo 657-8501 Japan Japan Sci & Technol Agcy CREST Chiyoda Ku Tokyo 1020075 Japan

We give an algorithm to compute inhomogeneous differential equations for definite integrals with parameters. The algorithm is based on the integration algorithm for D-modules by Oaku. Main tool in the algorithm is the... 详细信息

ISBN: (纸本)9783642155819

关键词： integration algorithm holonomic functions D-module Grobner basis

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Parallel Simulation of Large-Scale Universal Particle Systems Using CUDA

Parallel Simulation of Large-Scale Universal Particle System...

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11th IEEE International Conference on Dependable, Autonomic and Secure Computing (DASC)

作者： Li, Xiangfei Wang, Xuzhi Wan, Wanggen Zhu, Xiaoqiang Yu, Xiaoqing Shanghai Univ Inst Smart City Sch Commun & Informat Engn Shanghai Peoples R China

ISBN: (纸本)9781479933815

Particle systems' greatest advantage is well suited for modeling complex fuzzy phenomena, such as explosions, fountain, tornado and fireworks, etc. in 3D graphics. With the increasing requirements on the number of particles and particle-particle interactions, the computational complexity of simulation in particle systems has increased rapidly. Particle systems are traditionally implemented on a general-purpose CPU, and the computational complexity of particle systems limits the number of particles that can be computed at interactive rates. This paper focuses on real-time simulation of large-scale particle systems. We discuss optional integration algorithms based on CUDA (Compute Unified Device Architecture) for both graphic and scientific simulation. The speed of particle systems has been greatly improved, with parallel-core GPUs working in tandem with multi-core CPUs. In order to provide a scalable and portable API library, the object-oriented programming method is adopted to encapsulate the functions of parallel particle system. Results show that our proposed APIs are user-friendly and the parallel implementations are significantly efficient.

关键词： particle systems integration algorithm CUDA scalable and portable API object-oriented programming methods

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