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Simulate dynamic

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  • Molecular dynamic simulation is carried out for sodium tetra-silicate \({\rm{(N}}{{\rm{a}}_{\rm{2}}}{\rm{O - 4Si}}{{\rm{O}}_{\rm{2}}}{\rm{)}}\) melt at 1873K and pressure of 0.1MPa. The diffusion mechanism of Na atoms is investigated in terms of Voronoi polyhedron around network former and displacement of Na atoms between them. The simulation shows that Na atoms are not uniformly distributed through polyhedrons, but they mainly gather in NBO and FO polyhedrons.

    doc8p runordie5 04-07-2022 3 0   Download

  • In this work, we have performed a simulation to study the structural characteristics and phase transformation in Al2O3 glass under compression. The structural characteristics of Al2O3 glass were examined via AlOx units, OAly linkages, the average bond distance distributions, order parameters, and visualization of simulation data.

    pdf8p vimelindagates 18-07-2022 3 1   Download

  • This paper presents the comparative dynamic-stability evaluation of a large-scale OWF integrated into an onshore multi-machine power system via an HVDC link based on line-commutated converters (LCCs) and a high-voltage alternating current (HVAC) line.

    pdf6p vigeneralmotors 13-07-2022 380 4   Download

  • In this paper, a system based on Hardware-in-the-loop simulation will be used to estimate the vehicle states in real-time. CarSim is a professional software for simulating the dynamics of vehicle which is used as a virtual vehicle in this paper.

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  • In particular, the system undergoes three stages. At first stage the relaxation proceeds slowly so that the energy of system slightly decreases and the samples structure remains amorphous. Within second stage a structural transformation occurs which significantly changes PRDF and DCN for the relatively short time. The energy of the system is dropped considerably and the amorphous structure transforms into the crystalline. Finally, the crystalline sample undergoes the slow relaxation which reduces the energy of system and eliminates structural defects in crystal lattices.

    pdf17p runordie3 27-06-2022 4 1   Download

  • The activation of carbon dioxide (CO2) by catalytic systems comprising a transition metal (Co, Cu,Ni) on an activated carbon (AC) support was investigated using a combination of different theoretical calculation methods: Monte Carlo simulation, DFT and DFT-D, molecular dynamics (MD), and a climbing image nudged elastic band (CI-NEB) method. The results obtained indicate that CO2 is easily adsorbed by AC or MAC (M: Cu, Co, Ni).

    pdf9p runordie3 27-06-2022 7 1   Download

  • Aluminum-based bimetallic core–shell nanoparticles have shown promising applications in civil and defense industries. This study addresses the thermal stability of aluminum–palladium (Al–Pd) core/shell nanoparticles with a varying shell thickness of 5, 6, and 7 A˚ , respectively. The classic molecular dynamics (MD) simulations are performed in order to investigate the effects of the shell thickness on the ignition mechanism and subsequent energetic processes of these nanoparticles.

    pdf12p runordie3 27-06-2022 8 1   Download

  • The lubricity of alkane is a research target for numerous tribological applications in either industrial area or fundamental scientific studies. In the current work, a comparative investigation using a classical molecular dynamics (MD) method is carried out to investigate the effect of pure iron and its oxide surfaces on structural properties, adsorption ability of hexadecane (C16H34).

    pdf10p visusanwojcicki 28-06-2022 7 2   Download

  • Energy efficiency and energy security is a hot topic in science and politics. Annually, Ho Chi Minh City (HCMC) alone consumes about one fifth of total power consumption in Vietnam. This paper first gives an overview of the situation of the energy system in HCMC as an important part of the energy system in Vietnam. We then describe some selected programs to increase energy efficiency.

    pdf14p vimarissamayer 02-06-2022 6 1   Download

  • The mechanical properties of polycrystalline Cu70Ni30 sample was simulated by Molecular dynamics (MD) simulations. The interaction potential used in the calculations for interactions between atoms in the sample is the Quantum Sutton-Chen embedded potential. This sample at temperature of 300 K consists of the face-centered cubic (fcc), hexagonal closest packed (hcp) structures and few disordered structures.

    pdf9p vimarissamayer 02-06-2022 7 1   Download

  • Hydrological models can simulate water balance and predict water behaviors in any catchments; however, accuracy of model always is questioned. Therefore, calibration and validation processes are required for any models to acquire realistic expectations. TETIS model is a conceptual distribution model applied to simulate dynamic of hydrology based on water balance calculation, sediment erosion, and other constituents.

    pdf10p viginnirometty 04-05-2022 6 1   Download

  • Lecture Power system stability - Lesson 2: Numeric Solution of Differential Equations provide students with knowledge about static versus dynamic analysis; slow versus fast dynamics; positive sequence versus full three-phase; power flow versus dynamics; interactive simulation: powerworld dynamics studio (DS);...

    pdf42p hanthienngao 15-04-2022 8 1   Download

  • Lecture Power system stability - Lesson 7: Stability Overview, Synchronous Machine Modeling provide students with knowledge about symmetric line spacing – 69 kV; returning to the simulation: generator angles on different reference frames; plot designer with new plots with the wscc nine bus case; dynamic load models;...

    pdf51p hanthienngao 15-04-2022 10 1   Download

  • Lecture Power system stability - Lesson 8: Synchronous Machine Modeling provide students with knowledge about assuming a linear magnetic circuit; key simulation parameters; dynamic model development; rotor currents; final complete model; single-machine steady-state; stator flux differential equations;...

    pdf54p hanthienngao 15-04-2022 4 1   Download

  • : Fluid vents in the Sea of Marmara were discovered and investigated by several studies. In this paper, a numerical model is created for the first time to determine the possible transport mechanism behind those fluid emissions at the seafloor. The finite volume method is used for numerical simulations by implementing a commercial finite volume code, ANSYS-Fluent. The thermal and physical rock properties used in our models are taken from previous studies.

    pdf11p tanmocphong 29-01-2022 4 0   Download

  • In this study, numerical simulations are conducted to mimic the instant and delayed seismic triggering observed after this event and evaluate resultant seismic cycle perturbations at adjacent faults and near İzmir, where amplified ground motions caused heavy damage. For this purpose, Coulomb static stress changes and seismic waveforms recorded by strong-motion stations are combined as static and dynamic triggers on a rate-and-state friction dependent quasi-dynamic spring slider model with shear-normal stress coupling.

    pdf12p tanmocphong 29-01-2022 3 0   Download

  • Predicting dynamics of host-microbial ecosystems is crucial for the rational design of bacteriotherapies. We present MDSINE, a suite of algorithms for inferring dynamical systems models from microbiome time-series data and predicting temporal behaviors. Using simulated data, we demonstrate that MDSINE significantly outperforms the existing inference method.

    pdf17p viaristotle 29-01-2022 3 0   Download

  • This study uses machine learning techniques to monitor the areal extent of land use land cover (LULC) classes in Cox’s Bazar district, a well-known tourist destination in Bangladesh from 2001 to 2019. The main objective of this study is to quantify the changes in LULC classes during this period and forecasting the areal extents classes for 2019 and 2025.

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  • The system reached equilibrium at around 0.1 µs. The overall 3-dimensional structure was well preserved throughout the simulation. Local residue-based fluctuations were in good agreement with fully atomistic MD simulations. Four distinct snapshots were selected and reverse-mapped to all-atom representations with around 65,000 atoms. Each reverse-mapped system was later subjected to 100 ns of MD simulation for equilibration.

    pdf15p langthannam 29-12-2021 6 0   Download

  • Density functional theory was employed to investigate a series of phthalocyanine derivatives, discovering the limitation when the expansion of the conjugated system was employed to improve the hyper-Rayleigh scattering response coefficient. Furthermore, an unusually C∞v -type octupolar population was found by electrostatic potential analysis. In addition, the dynamic and static hyper-Rayleigh scattering responses (βHRS) were simulated using the coupled perturbed density functional theory, showing an increasing dynamic βHRS value along with an increase in incident light energy.

    pdf10p langthannam 29-12-2021 2 0   Download

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