Keywords: پدیده بین هسته ای; Modified embedded-atom method; Silicon; Interatomic potential; Melting point; Liquid structure;
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Keywords: پدیده بین هسته ای; Interfacial segregation; Structural transition; Complexions; Molecular dynamics; Interatomic potential;
Keywords: پدیده بین هسته ای; Interatomic potential; Threshold displacement energy; Molecular dynamics; Iron; Collision cascade;
Keywords: پدیده بین هسته ای; Diatomic molecule; Neural network; Interatomic potential; Potential energy curve; Cadmium dimer;
Keywords: پدیده بین هسته ای; Interatomic potential; Electron screening effect; Nuclear reaction; RBS method; Screening constant;
Keywords: پدیده بین هسته ای; Nanocluster; Tungsten; Interatomic potential; Molecular dynamics;
Keywords: پدیده بین هسته ای; Interatomic potential; Active learning; Learning on the fly; Machine learning; Atomistic simulation; Moment tensor potentials;
Keywords: پدیده بین هسته ای; Molecular dynamics; Interatomic potential; Thermal conductivity; Graphene; Multi-layer;
Keywords: پدیده بین هسته ای; Uncertainty quantification; Functional derivative; Molecular dynamics; Interatomic potential; Free energy calculation;
Keywords: پدیده بین هسته ای; Molecular dynamics; Interatomic potential; Uncertainty quantification; Interval analysis;
Keywords: پدیده بین هسته ای; Existence criterion; Low-dimensional system; Interatomic potential; Mechanical stability;
Keywords: پدیده بین هسته ای; Molecular dynamics; Silicon; Interatomic potential; Thermal expansion coefficient;
Keywords: پدیده بین هسته ای; Tungsten; Interatomic potential; Collision cascades; Molecular dynamics;
Keywords: پدیده بین هسته ای; DFT; Magnetic interactions; Interatomic potential; Helium defects; Diffusion;
Keywords: پدیده بین هسته ای; Coulomb's forces; Interatomic potential; Iron crystal;
Keywords: پدیده بین هسته ای; Graphene; Vibrations; Interatomic potential; Nonlocal elasticity; Various edge conditions
Keywords: پدیده بین هسته ای; Continuum theory; Interatomic potential; Helmholtz free energy; Local harmonic approximation; Finite temperature;
Keywords: پدیده بین هسته ای; Interatomic potential; Machine learning; Spectral neighbor analysis potential; SNAP; Gaussian approximation potentials; Molecular dynamics;
Keywords: پدیده بین هسته ای; Particle swarm optimization; Interatomic potential; Fitting
Keywords: پدیده بین هسته ای; Carbon nanotubes; Vibration frequencies; Spring mass model; Finite element method; Interatomic potential;
Keywords: پدیده بین هسته ای; MEAM; Lattice inversion; Interatomic potential; Molecular dynamics
Keywords: پدیده بین هسته ای; Hydrogen embrittlement; Interatomic potential; Molecular dynamics; First-principles calculation; Lattice defect;
Lattice inversion modified embedded atom method for FCC metals
Keywords: پدیده بین هسته ای; LI-MEAM; Interatomic potential; FCC structure; Potential parameters;
Validation of inter-atomic potential for WS2 and WSe2 crystals through assessment of thermal transport properties
Keywords: پدیده بین هسته ای; Interatomic potential; Transition metal dichalcogenides; Thermal conductivity; Spectral energy density;
Development of Fe-C interatomic potential for carbon impurities in α-iron
Keywords: پدیده بین هسته ای; Interatomic potential; Iron-carbon alloy; Carbon diffusion; Phase transition; Genetic algorithm;
Modified embedded-atom method interatomic potentials for pure Zn and Mg-Zn binary system
Keywords: پدیده بین هسته ای; 2NN MEAM; Interatomic potential; Zn; Mg-Zn;
Molecular dynamics simulations of the characteristics of Mo/Ti interfaces
Keywords: پدیده بین هسته ای; Mo-Ti interface; Diffusion bonding; Molecular dynamics simulation; Interatomic potential;
Modelling of dislocation-solute interaction in ODS steels: Analytic bond-order potential for the iron-yttrium system
Keywords: پدیده بین هسته ای; Interatomic potential; Oxide dispersion strengthened; Pipe diffusion;
An interatomic potential for the Li-Co-O ternary system
Keywords: پدیده بین هسته ای; Interatomic potential; Molecular dynamics; Modified embedded atom method; Charge equilibration; Lithium cobalt oxide; LiCoO2; Diffusion coefficient; Lithium diffusion; Lithium ion battery;
Second nearest-neighbor modified embedded-atom method interatomic potentials for the Pd-M (Mâ¯=â¯Al, Co, Cu, Fe, Mo, Ni, Ti) binary systems
Keywords: پدیده بین هسته ای; Second nearest-neighbor modified embedded-atom method; Interatomic potential; Pd alloys; Catalyst;
Atomistic simulation of cubic and tetragonal phases of U-Mo alloy: Structure and thermodynamic properties
Keywords: پدیده بین هسته ای; Uranium alloy; Phase transition; Interatomic potential; Uranium; Molybdenum; Molecular dynamics;
Many-particle interactions and rainbow effects in grazing scattering of Ar atoms on the Al(1Â 1Â 1), Ag(1Â 1Â 1) crystals
Keywords: پدیده بین هسته ای; Grazing scattering; Ion-surface interaction; Interatomic potential; Rainbow scattering; Trajectory calculation;
Comparison of repulsive interatomic potentials calculated with an all-electron DFT approach with experimental data
Keywords: پدیده بین هسته ای; Interatomic potential; Scattering; Screening function; DMol calculations; Ion-atom interaction;
Modified embedded-atom method interatomic potentials for Mg-Nd and Mg-Pb binary systems
Keywords: پدیده بین هسته ای; 2NN MEAM; Interatomic potential; Mg alloy; Neodymium; Lead;
Evaluation of interatomic potentials for rainbow scattering under axial channeling at KCl(0Â 0Â 1) surface by three-dimensional computer simulations based on binary collision approximation
Keywords: پدیده بین هسته ای; Ion-solid interactions; Interatomic potential; Channeling; Rainbow scattering; Three-dimensional computer simulations;
Modified embedded-atom method interatomic potentials for the Co-Cr, Co-Fe, Co-Mn, Cr-Mn and Mn-Ni binary systems
Keywords: پدیده بین هسته ای; 2NN MEAM; Interatomic potential; High entropy alloy; Molecular dynamics;
Comparative study of displacement cascades simulated with 'magnetic' potentials and Mendelev-type potential in α-Fe
Keywords: پدیده بین هسته ای; Interatomic potential; Displacement cascades; Molecular dynamics;
Evaluation of interatomic potentials for noble gas atoms from rainbow scattering under axial channeling at Ag(1 1 1) surface by computer simulations based on binary collision approximation
Keywords: پدیده بین هسته ای; Ion-solid interactions; Interatomic potential; Screening length; Channeling; Rainbow scattering
Interatomic Fe-H potential for irradiation and embrittlement simulations
Keywords: پدیده بین هسته ای; Interatomic potential; Molecular dynamics; Tensile testing; Hydrogen-induced embrittlement;
Lattice inversion modified embedded atom method for bcc transition metals
Keywords: پدیده بین هسته ای; Lattice inversion; MEAM; Interatomic potential; Bcc transition metals;
Modified embedded-atom method interatomic potentials for Mg-X (X=Y, Sn, Ca) binary systems
Keywords: پدیده بین هسته ای; 2NN MEAM; Interatomic potential; Molecular dynamics; Mg alloy; Yttrium;
Angular-dependent interatomic potential for the Cu-Ta system and its application to structural stability of nano-crystalline alloys
Keywords: پدیده بین هسته ای; Interatomic potential; Atomistic simulation; Immiscible alloys; Cu-Ta system; Grain boundaries;
MEAMfit: A reference-free modified embedded atom method (RF-MEAM) energy and force-fitting code
Keywords: پدیده بین هسته ای; Interatomic potential; Fitting; Lattice-vibrations;
Comments on “Atomistic modeling of an Fe system with a small concentration of C”
Keywords: پدیده بین هسته ای; FeC alloys; Interatomic potential; Molecular dynamics;
A mean-field interatomic potential for a multi-component β-type titanium alloy
Keywords: پدیده بین هسته ای; Multi-component alloy; Interatomic potential; Mean-field; Ti2448
Atomistic simulations of Cu2O bulk and Cu/Cu2O interface properties by using a new interatomic potential
Keywords: پدیده بین هسته ای; Solid and crystalline interface; Interatomic potential; Elastic properties of a heterogeneous interface; Copper-oxide
Atomic modeling to design favored compositions for the ternary Ni-Nb-Zr metallic glass formation
Keywords: پدیده بین هسته ای; Ni-Nb-Zr metallic glasses; Interatomic potential; Glass-forming ability; Atomic structure; Monte Carlo simulation;
Oxygen vacancy segregation in grain boundaries of BaZrO3 using interatomic potentials
Keywords: پدیده بین هسته ای; BaZrO3; Grain boundary; Space-charge model; Interatomic potential; Oxygen vacancy segregation
Interatomic potential to predict favored composition for Hf–Cu–Ni metallic glasses formation
Keywords: پدیده بین هسته ای; Metallic glasses; Molecular dynamics; Interatomic potential
Fitting empirical potentials: Challenges and methodologies
Keywords: پدیده بین هسته ای; Simulation; Interatomic potential; Fitting; Optimization