Keywords: مدل سازی و شبیه سازی کامپیوتری; Light-matter interaction; Computer modelling and simulation; Molecular dynamics calculations; Particle-in-cell method;
مقالات ISI مدل سازی و شبیه سازی کامپیوتری (ترجمه نشده)
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Keywords: مدل سازی و شبیه سازی کامپیوتری; Interfaces; Computer modelling and simulation; Molecular dynamics; Electrochemical properties; Surface properties; Dielectric properties
Keywords: مدل سازی و شبیه سازی کامپیوتری; Semiconductors; Magnetic properties; Electronic structure; Computer modelling and simulation;
Keywords: مدل سازی و شبیه سازی کامپیوتری; Metals; Crystal structure; Thermodynamic properties; Computer modelling and simulation; Dislocations; Interfaces;
Keywords: مدل سازی و شبیه سازی کامپیوتری; Polymers; Compression and shear; Mechanical testing; Computer modelling and simulation
Keywords: مدل سازی و شبیه سازی کامپیوتری; Organic compounds; Ab initio calculations; Computer modelling and simulation; Corrosion
A computational and spectroscopic study of Dy3+ doped BaAl2O4 phosphors
Keywords: مدل سازی و شبیه سازی کامپیوتری; Optical materials; Computer modelling and simulation; Defects; Optical properties; Luminescence;
Enlarge the biologic coating-induced absorbance enhancement of Au-Ag bimetallic nanoshells by tuning the metal composition
Keywords: مدل سازی و شبیه سازی کامپیوتری; Nanostructures; Optical properties; Computer modelling and simulation; Surface plasmon resonance (SPR);
EuTiO3: The low-energy electronic structure of Eu2+ from the specific heat
Keywords: مدل سازی و شبیه سازی کامپیوتری; Magnetic materials; Computer modelling and simulation; Magnetic properties; Phase transitions; Specific heat;
Investigation of pressure dependence of electrical resistivity based on mean-field approximation in Gd-element
Keywords: مدل سازی و شبیه سازی کامپیوتری; Computer modelling and simulation; Electrical properties; Magnetic properties;
Hole geometry effect on stop-band characteristics of photonic crystal in Ti-diffused LiNbO3 waveguide
Keywords: مدل سازی و شبیه سازی کامپیوتری; Optical materials; Etching; Computer modelling and simulation; Optical properties;
Magnetism and the low-energy electronic structure of Mott insulators K2CoF4 and SrMnO3 perovskites
Keywords: مدل سازی و شبیه سازی کامپیوتری; Magnetic materials; Computer modelling and simulation; Crystal fields; Magnetic properties
Nanotube diameter dependency of anisotropic pressure of an ionic liquid confined in a carbon nanotube: A molecular dynamics study for [emim][PF6] case
Keywords: مدل سازی و شبیه سازی کامپیوتری; Equations-of-state; Molecular dynamics simulation; Nanostructure; Computer modelling and simulation;
Precipitation kinetics of ordered γ′ phase and microstructure evolution in a NiAl alloy
Keywords: مدل سازی و شبیه سازی کامپیوتری; Alloys; Annealing; Computer modelling and simulation; Phase transitions
The effect of group-substitution on structures and photophysical properties of rhenium(I) tricarbonyl complexes with pyridyltetrazole ligand: A DFT/TDDFT study
Keywords: مدل سازی و شبیه سازی کامپیوتری; Organometallic compounds; Photoemission; Computer modelling and simulation; Electronic structure;
ESR studies of redox-active PMNT-PEG-PMNT polymer
Keywords: مدل سازی و شبیه سازی کامپیوتری; Electron paramagnetic resonance (EPR); Polymers; Crystal structure; Computer modelling and simulation
Lattice dynamics of binary and ternary phases in Ti-Si-C system: A combined Raman spectroscopy and density functional theory study
Keywords: مدل سازی و شبیه سازی کامپیوتری; Ceramics; Raman spectroscopy and scattering; Computer modelling and simulation; Phonons;
Study of electron vibrational interaction parameters in chlorophosphate activated with Eu2+ ion
Keywords: مدل سازی و شبیه سازی کامپیوتری; Computer modelling and simulation; Inorganic compound; Luminescence; Photoluminescence spectroscopy
Tris (pentafluorophenyl) phosphine: A dual functionality additive for flame-retarding and sacrificial oxidation on LiMn2O4 for lithium ion battery
Keywords: مدل سازی و شبیه سازی کامپیوتری; Interfaces; Computer modelling and simulation; X-ray photo-emission spectroscopy (XPS); Surface properties
Energetic investigation of the adsorption process of CH4, C2H6 and N2 on activated carbon: Numerical and statistical physics treatment
Keywords: مدل سازی و شبیه سازی کامپیوتری; Interfaces; Computer modelling and simulation; Adsorption; Heterostructures;
Investigations of Al:CdS/PVA nanocomposites: A joint theoretical and experimental approach
Keywords: مدل سازی و شبیه سازی کامپیوتری; Composite materials; Nanostructures; Chemical synthesis; Computer modelling and simulation
FT-Raman and FTIR spectra of photoactive aminobenzazole derivatives in the solid state: A combined experimental and theoretical study
Keywords: مدل سازی و شبیه سازی کامپیوتری; Optical materials; Organic compounds; Chemical synthesis; ab initio calculations; Computer modelling and simulation; Infrared spectroscopy (IR)
Structural dependence of threshold displacement energies in rutile, anatase and brookite TiO2
Keywords: مدل سازی و شبیه سازی کامپیوتری; Radiation damage; Computer modelling and simulation; Microstructure; Oxides;
Geometry dependent reaction response of Ta + Bi2O3 thermite powder filled linear cellular alloys
Keywords: مدل سازی و شبیه سازی کامپیوتری; Compaction; High strain-rate test; Computer modelling and simulation; Finite element analysis; Phase transition;
Molecular design of new P3HT derivatives: Adjusting electronic energy levels for blends with PCBM
Keywords: مدل سازی و شبیه سازی کامپیوتری; Electronic materials; Organic compounds; Polymers; Computer modelling and simulation; Electronic structure;
CALPHAD simulation of the Mg–(Mn, Zr)–Fe system and experimental comparison with as-cast alloy microstructures as relevant to impurity driven corrosion of Mg-alloys
Keywords: مدل سازی و شبیه سازی کامپیوتری; Alloys; Computer modelling and simulation; Electron microscopy; Corrosion
Electron–vibrational interaction in 5d state of Ce3+ ion in (LiMg/Li2Na/Li3)BF6 phosphors
Keywords: مدل سازی و شبیه سازی کامپیوتری; Computer modelling and simulation; Luminescence; Photoemission; Computational technique; Photoluminescence spectroscopy; Optical properties
Simple indoline based donor–acceptor dye for high efficiency dye-sensitized solar cells
Keywords: مدل سازی و شبیه سازی کامپیوتری; Organic compounds; Computer modelling and simulation; Electronic materials; Nanostructures
Gas sensitivity of ZnO-based ceramics to vapors of saturated monohydric alcohols
Keywords: مدل سازی و شبیه سازی کامپیوتری; Ceramics; Adsorption; Electrical conductivity; Computer modelling and simulation;
Interpretation of the Raman spectra of the glassy states of SixS1âx and SixSe1âx
Keywords: مدل سازی و شبیه سازی کامپیوتری; Glasses; Computer modelling and simulation; Raman spectroscopy and scattering; Molecular dynamics;
Simulating scratch behavior of polymers with mesoscopic molecular dynamics
Keywords: مدل سازی و شبیه سازی کامپیوتری; Molecular dynamics; Polymers; Computer modelling and simulation; Tribology and wear
Study of microstructure and magnetization reversal mechanism in granular CoCrPt:SiO2 films of variable thickness
Keywords: مدل سازی و شبیه سازی کامپیوتری; Multilayers; Microstructure; Magnetic properties; Computer modelling and simulation;
Acrylonitrile-capped poly(propyleneimine) dendrimer curing agent for epoxy resins: Model-free isoconversional curing kinetics, thermal decomposition and mechanical properties
Keywords: مدل سازی و شبیه سازی کامپیوتری; Polymers; Differential scanning calorimetry (DSC); Computer modelling and simulation; Thermogravimetric analysis (TGA); Mechanical properties;
Current redistribution by intermetallic compounds in Through-Silicon-Via (TSV)
Keywords: مدل سازی و شبیه سازی کامپیوتری; Intermetallic compounds; Electrical properties; Computer modelling and simulation; Thin films;
The effect of carbon nanotube chirality on the spiral flow of copper atoms in their cores
Keywords: مدل سازی و شبیه سازی کامپیوتری; Nanostructures; Computer modelling and simulation; Molecular dynamics; Transport properties
Electrochemical fabrication and modelling of mechanical behavior of a tri-layer polymer actuator
Keywords: مدل سازی و شبیه سازی کامپیوتری; Composite materials; Electrical conductivity; Mechanical properties; Computer modelling and simulation
Bimetallic Ni/Pd finite systems: Structure and thermodynamics of bimetallic Ni/Pd nanostructures in two and three dimensions
Keywords: مدل سازی و شبیه سازی کامپیوتری; Nanostructures; Monte Carlo simulation; Phase transitions; Computer modelling and simulation; Alloys
Stability analysis and structural rules of titanium dioxide clusters (TiO2)n with n = 1-9
Keywords: مدل سازی و شبیه سازی کامپیوتری; Nanostructure; Oxides; Computer modelling and simulation; Ab initio calculations;
REAS3: Monte Carlo simulations of radio emission from cosmic ray air showers using an “end-point” formalism
Keywords: مدل سازی و شبیه سازی کامپیوتری; Cosmic rays; Extensive air showers; Electromagnetic radiation from moving charges; Computer modelling and simulation; Radio emission;
Calculation of phase equilibria in Ti-Al-Cr-Mn quaternary system for developing lower cost titanium alloys
Keywords: مدل سازی و شبیه سازی کامپیوتری; Alloys; Intermetallic compounds; Computer modelling and simulation; Microstructure; Phase equilibria;
Modelling and simulation of reaction mechanisms in early growth of STO thin films from ab initio calculations
Keywords: مدل سازی و شبیه سازی کامپیوتری; Oxides; Thin films; Surfaces; Ab initio calculations; Computer modelling and simulation
Design and synthesis of a novel polymer with a large macroscopic second harmonic generation coefficient based on quantum chemical calculations
Keywords: مدل سازی و شبیه سازی کامپیوتری; Optical materials; Chemical synthesis; Computer modelling and simulation; Optical properties
A multiscale modelling study of Ni-Cr crack tip initial stage oxidation at different stress intensities
Keywords: مدل سازی و شبیه سازی کامپیوتری; Alloys; Computer modelling and simulation; Early stage oxidation; Stress corrosion cracking initiation;
Inverse segregation during transient directional solidification of an Al–Sn alloy: Numerical and experimental analysis
Keywords: مدل سازی و شبیه سازی کامپیوتری; Solidification; Computer modelling and simulation; Microstructure; Alloys
Simulations and theory of radio emission from cosmic ray air showers
Keywords: مدل سازی و شبیه سازی کامپیوتری; Cosmic rays; Extensive air showers; Electromagnetic radiation from moving charges; Computer modelling and simulation;
Exploring the performance of μSR position-sensitive detectors through numerical simulations
Keywords: مدل سازی و شبیه سازی کامپیوتری; 29.40.Gx; 07.05.Tp; 76.75.+i; Position-sensitive detectors; Computer modelling and simulation; Geant4; Muon spin rotation;
Microstructural development in Al-Sn alloys directionally solidified under transient heat flow conditions
Keywords: مدل سازی و شبیه سازی کامپیوتری; Alloys; Solidification; Microstructure; Computer modelling and simulation;
Effect of backbone on the biaxial retardation of polyimide films in uniaxial stretch
Keywords: مدل سازی و شبیه سازی کامپیوتری; Optical materials; Polyimide; Computer modelling and simulation; Birefringence
Influence of yttrium on the interface valence electron density of thermal barrier coatings
Keywords: مدل سازی و شبیه سازی کامپیوتری; Alloys; Coatings; Interfaces; Computer modelling and simulation
Studies of magnetic properties of iron-based coatings produced by a high-velocity oxy-fuel process
Keywords: مدل سازی و شبیه سازی کامپیوتری; Magnetic materials; Coatings; Computer modelling and simulation; Magnetic properties;