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- Publikacje 394 wyników po odfiltrowaniu
- Czasopisma 2 wyników po odfiltrowaniu
- Konferencje 3 wyników po odfiltrowaniu
- Osoby 6 wyników po odfiltrowaniu
- Projekty 1 wyników po odfiltrowaniu
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- Wydarzenia 1 wyników po odfiltrowaniu
- Dane Badawcze 59 wyników po odfiltrowaniu
Wyniki wyszukiwania dla: COARSE GRAINING, MOLECULAR DYNAMICS, OPENMP, PARALLEL ALGORITHMS, UNRES
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Study of New Oxytocin Antagonist Barusiban (Fe200 440) Affinity Toward Human Oxytocin Receptor Versus Vasopressin V1a and V2 Receptors - Molecular Dynamics Simulation in POPC Bilayer
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Toward Mechanosynthesis of Diamondoid Structures: VI. Quantum-Chemical Molecular Dynamics Comparison of Conditions for the STM Tip Driven Mechanosynthesis on Hydrogenated Si(111), Si(110) and Si(100) Surfaces.
Publikacjamożliwość prototypowania przejściowych generacji nano-urządzeń otrzymanych drogą pozycjonowanej mechanosyntezy za pomocą stm wyposażonego w ostrze typu swcnt są analizowane metodą kwantowo-chemicznej dynamiki molekularnej. proponowana strategia syntezy polega na insercji atomów si oraz cząsteczek sih2 we wiązania si-h na uwodornionej powierzchni si(111), si(110) oraz si(100) kryształu krzemu. rezultaty modelowania sugerują, że...
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An facile Fortran-95 algorithm to simulate complex instabilities in three-dimensional hyperbolic systems
Dane BadawczeIt is well know that the simulation of fractional systems is a difficult task from all points of view. In particular, the computer implementation of numerical algorithms to simulate fractional systems of partial differential equations in three dimensions is a hard task which has no been solved satisfactorily. Here, we provide a Fortran-95 code to solve...
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Piotr Sypek dr inż.
OsobyPiotr Sypek otrzymał w Politechnice Gdańskiej tytuł magistra inżyniera w 2003 roku oraz stopień doktora nauk technicznych (z wyróżnieniem) w 2012 roku. Obecnie pracuje w Katedrze Inżynierii Mikrofalowej i Antenowej na Wydziale Elektroniki, Telekomunikacji i Informatyki w Politechnice Gdańskiej. Jego działalność badawcza zawiera projektowanie i implementację równoległych algorytmów stosowanych do budowania i wyznaczania rozwiązywania...
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Katarzyna Merkel dr hab.
OsobyOver the past 15 years, my work has mainly been related to the study of liquid crystal compounds with a diverse structure (discotic, dendrimeric, banana, bimedogenic, uniaxial and biaxial nematics and smectics) as well as polymeric materials (biopolymers, nano-composites) and biological materials. My work concerned mainly the issues of organization, observation of orientation effects, studying the dynamics of molecular processes...
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Acceleration of the discrete Green's function computations
PublikacjaResults of the acceleration of the 3-D discrete Green's function (DGF) computations on the multicore processor are presented. The code was developed in the multiple precision arithmetic with use of the OpenMP parallel programming interface. As a result, the speedup factor of three orders of magnitude compared to the previous implementation was obtained thus applicability of the DGF in FDTD simulations was significantly improved.
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Kazi Amirul Hossain
OsobyI am a PhD graduate from Gdańsk University of Technology and currently a postdoctoral researcher at IRB Barcelona (Prof. Modesto Orozco lab). My academic focus is on computational biophysics, particularly Molecular Dynamics (MD) and statistical mechanics. I also have expertise in molecular modeling techniques like Molecular Docking, Homology Modeling, and QSAR. I hold an M.S. (Pharm) from NIPER, Kolkata, where I was awarded the...
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Physical crosslinking of hyaluronic acid in the presence of phospholipids in an aqueous nano-environment
PublikacjaHyaluronic acid and phospholipids are two components in the synovial joint cavity that contribute to joint lubrication synergistically. Molecular dynamics simulations were performed and hydrogen bonds in hyaluronic acid were analyzed to identify specific sites that are responsible for its physical cross-linking. Two molecular masses of hyaluronic acid, 10 kDa and 160 kDa, were considered. We use molecular dynamics simulations and...
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ESCASA : Analytical estimation of atomic coordinates from coarse‐grained geometry for nuclear‐magnetic‐resonance ‐assisted protein structure modeling. I. Backbone and Hβ protons
PublikacjaA method for the estimation of coordinates of atoms in proteins from coarse-grained geometry by simple analytical formulas (ESCASA), for use in nuclear-magnetic-resonance (NMR) data-assisted coarse-grained simulations of proteins is proposed. In this paper, the formulas for the backbone Hα and amide (HN) protons, and the side-chain Hβ protons, given the Cα-trace, have been derived and parameterized, by using the interproton distances...
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Conference on Algorithms and Hardware for Parallel Processing
Konferencje -
Marek Czachor prof. dr hab.
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Surface diffusion and cluster formation of gold on the silicon (111)
PublikacjaPurpose: Investigation of the gold atoms behaviour on the surface of silicon by molecular dynamics simulation method. The studies were performed for the case of one, two and four atoms, as well as incomplete and complete filling of gold atoms on the silicon surface. Design/methodology/approach: Investigations were performed by the method of molecular dynamics simulation using the Large-scale Atomic/Molecular Massively Parallel...
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A multithreaded CUDA and OpenMP based power‐aware programming framework for multi‐node GPU systems
PublikacjaIn the paper, we have proposed a framework that allows programming a parallel application for a multi-node system, with one or more GPUs per node, using an OpenMP+extended CUDA API. OpenMP is used for launching threads responsible for management of particular GPUs and extended CUDA calls allow to manage CUDA objects, data and launch kernels. The framework hides inter-node MPI communication from the programmer who can benefit from...
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Rigid finite elements and multibody modeling in analyses of a robot shaped elastic/plastic deformations of a beam
PublikacjaDynamics analysis of a system composed of a parallel manipulator and of an elastic beam is presented in the paper. Classic 3RRR parallel manipulator is considered and used to deform the beam. Elasto-plastic deformations are investigated. Rigid-finite-elements technique is employed to deal with dynamics of the beam. A multibody structure is associated with the introduced hybrid system in order to model its dynamics. Idea of the...
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Performance Evaluation of the Parallel Codebook Algorithm for Background Subtraction in Video Stream
PublikacjaA background subtraction algorithm based on the codebook approach was implemented on a multi-core processor in a parallel form, using the OpenMP system. The aim of the experiments was to evaluate performance of the multithreaded algorithm in processing video streams recorded from monitoring cameras, depending on a number of computer cores used, method of task scheduling, image resolution and degree of image content variability....
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International Symposium on Parallel Architectures, Algorithms and Networks
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International Conference on Algorithms and Architectures for Parallel Processing
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DEPO: A dynamic energy‐performance optimizer tool for automatic power capping for energy efficient high‐performance computing
PublikacjaIn the article we propose an automatic power capping software tool DEPO that allows one to perform runtime optimization of performance and energy related metrics. For an assumed application model with an initialization phase followed by a running phase with uniform compute and memory intensity, the tool performs automatic tuning engaging one of the two exploration algorithms—linear search (LS) and golden section search (GSS), finds...
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Implementation of FDTD-compatible Green's function on heterogeneous CPU-GPU parallel processing system
PublikacjaThis paper presents an implementation of the FDTD-compatible Green's function on a heterogeneous parallel processing system. The developed implementation simultaneously utilizes computational power of the central processing unit (CPU) and the graphics processing unit (GPU) to the computational tasks best suited to each architecture. Recently, closed-form expression for this discrete Green's function (DGF) was derived, which facilitates...
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The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
Dane BadawczeThe developments of the open-source OpenMolcas chemistry software environment since spring 2020 are described, with a focus on novel functionalities accessible in the stable branch of the package or via interfaces with other packages. These developments span a wide range of topics in computational chemistry and are presented in thematic sections: electronic...
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PPAM 2022
WydarzeniaThe PPAM 2022 conference, will cover topics in parallel and distributed computing, including theory and applications, as well as applied mathematics.
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DNAffinity: a machine-learning approach to predict DNA binding affinities of transcription factors
PublikacjaWe present a physics-based machine learning approach to predict in vitro transcription factor binding affinities from structural and mechanical DNA properties directly derived from atomistic molecular dynamics simulations. The method is able to predict affinities obtained with techniques as different as uPBM, gcPBM and HT-SELEX with an excellent performance, much better than existing algorithms. Due to its nature, the method can...
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Simulation of a linear pneumatic actuator with 32 mm piston diameter, 12 mm piston rod diameter and 25 mm stroke
Dane BadawczeThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 63 mm piston diameter, 20 mm piston rod diameter and 100 mm stroke
Dane BadawczeThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 32 mm piston diameter, 14 mm piston rod diameter and 500 mm stroke
Dane BadawczeThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 63 mm piston diameter, 25 mm piston rod diameter and 50 mm stroke
Dane BadawczeThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 63 mm piston diameter, 20 mm piston rod diameter and 200 mm stroke
Dane BadawczeThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 100 mm piston diameter, 25 mm piston rod diameter and 500 mm stroke
Dane BadawczeThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 100 mm piston diameter, 32 mm piston rod diameter and 25 mm stroke
Dane BadawczeThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 63 mm piston diameter, 20 mm piston rod diameter and 500 mm stroke
Dane BadawczeThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 63 mm piston diameter, 20 mm piston rod diameter and 50 mm stroke
Dane BadawczeThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 63 mm piston diameter, 20 mm piston rod diameter and 25 mm stroke
Dane BadawczeThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 63 mm piston diameter, 25 mm piston rod diameter and 200 mm stroke
Dane BadawczeThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 100 mm piston diameter, 25 mm piston rod diameter and 100 mm stroke
Dane BadawczeThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 100 mm piston diameter, 25 mm piston rod diameter and 200 mm stroke
Dane BadawczeThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 32 mm piston diameter, 12 mm piston rod diameter and 50 mm stroke
Dane BadawczeThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 32 mm piston diameter, 14 mm piston rod diameter and 25 mm stroke
Dane BadawczeThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 100 mm piston diameter, 32 mm piston rod diameter and 100 mm stroke
Dane BadawczeThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 100 mm piston diameter, 32 mm piston rod diameter and 500 mm stroke
Dane BadawczeThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 32 mm piston diameter, 14 mm piston rod diameter and 200 mm stroke
Dane BadawczeThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 100 mm piston diameter, 25 mm piston rod diameter and 25 mm stroke
Dane BadawczeThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 63 mm piston diameter, 25 mm piston rod diameter and 500 mm stroke
Dane BadawczeThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 100 mm piston diameter, 25 mm piston rod diameter and 50 mm stroke
Dane BadawczeThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 32 mm piston diameter, 12 mm piston rod diameter and 100 mm stroke
Dane BadawczeThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 100 mm piston diameter, 32 mm piston rod diameter and 50 mm stroke
Dane BadawczeThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 32 mm piston diameter, 14 mm piston rod diameter and 100 mm stroke
Dane BadawczeThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 32 mm piston diameter, 12 mm piston rod diameter and 500 mm stroke
Dane BadawczeThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 100 mm piston diameter, 32 mm piston rod diameter and 200 mm stroke
Dane BadawczeThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 63 mm piston diameter, 25 mm piston rod diameter and 100 mm stroke
Dane BadawczeThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...
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Simulation of a linear pneumatic actuator with 32 mm piston diameter, 12 mm piston rod diameter and 200 mm stroke
Dane BadawczeThe aim of the simulation was to determine the dynamics of linear pneumatic actuators with different sizes and flow properties. The simulation used the actuator dynamics model as described in [1] and the St Venant - Wantzel's mass flow rate model. The simulation experiment was to calculate the pressure changes in both chambers of the actuator as well...