Keywords: محاسبات E. AB ابتدا به ساکن; A. Intermetallics, miscellaneous; B. Brittleness and ductility; B. Elastic properties; B. Electronic structure of metals and alloys; B. Mechanical properties at ambient temperature; E. Ab-initio calculations;
مقالات ISI محاسبات E. AB ابتدا به ساکن (ترجمه نشده)
مقالات زیر هنوز به فارسی ترجمه نشده اند.
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Keywords: محاسبات E. AB ابتدا به ساکن; A. Intermetallics; B. Dislocation structure; D. Planar faults; E. Ab-initio calculations;
Keywords: محاسبات E. AB ابتدا به ساکن; A. Intermetallics, miscellaneous; B. Phase diagrams; E. Ab-initio calculations
Keywords: محاسبات E. AB ابتدا به ساکن; A. Aluminides, miscellaneous; B. Diffusion; D. Defects: point defects; E. Ab-initio calculations;
Keywords: محاسبات E. AB ابتدا به ساکن; A. Intermetallics,; miscellaneous; B. Brittleness and ductility; B. Elastic properties; B. Electronic structure of metals and alloys; B. Mechanical properties at ambient temperature; E. Ab-initio calculations;
Influence of Fe-doping on magnetic structure and martensitic transformation in NiMnIn and NiMnSb alloys
Keywords: محاسبات E. AB ابتدا به ساکن; A. Magnetic alloys; B. Magnetic properties; Electronic structure; Martensitic transformation; E. Ab-initio calculations;
Structural stability, elastic and thermodynamic properties of Au-Cu alloys from first-principles calculations
Keywords: محاسبات E. AB ابتدا به ساکن; A. Intermetallics; B. Anisotropy; B. Elastic and thermal properties; E. Ab-initio calculations;
Structural and magnetic properties of Ni2CoSi: First-principles calculation and experimental realization
Keywords: محاسبات E. AB ابتدا به ساکن; A. Magnetic alloys; B. Electronic structure; Magnetic properties; C. Mechanical alloying and milling; E. Ab-initio calculations;
Microalloying effects in ternary Cu-Zr-X (XÂ =Â Be, Mg, Al, Si, P, Nb, Ag) icosahedral clusters and super-clusters from Density Functional Theory computations
Keywords: محاسبات E. AB ابتدا به ساکن; A. Metallic glasses; B. Bonding; B. Electronic structure; B. Microalloying; E. Ab-initio calculations;
Synergistic effect of co-alloying elements on site preferences and elastic properties of Ni3Al: A first-principles study
Keywords: محاسبات E. AB ابتدا به ساکن; A. Intermetallics; B. Alloy design; B. Elastic properties; D. Site occupancy; E. Ab-initio calculations;
First-principles phase stability and elastic properties of Al-La binary system intermetallic compounds
Keywords: محاسبات E. AB ابتدا به ساکن; A. Intermetallics; B. Phase stability; B. Elastic properties; E. Ab-initio calculations;
Ab initio investigation of the Nb-Al system
Keywords: محاسبات E. AB ابتدا به ساکن; A. Silicides; B. Elastic properties; B. Thermodynamic properties; E. Ab-initio calculations;
Solubility and ordering of Ti, Ta, Mo and W on the Al sublattice in L12-Co3Al
Keywords: محاسبات E. AB ابتدا به ساکن; A. Functional alloys; A. Intermetallics; B. Phase stability; D. Site occupancy; E. ab-initio calculations; E. Ordering energies
First-principles study of electronic structure and magnetic properties of orthorhombic CrGa2Sb2 and MnGa2Sb2
Keywords: محاسبات E. AB ابتدا به ساکن; A. Magnetic intermetallics; B. Electronic structure; B. Magnetic properties; E. Ab-initio calculations
First-principles study of the bonding characteristics of TiAl(111)/Al2O3(0001) interface
Keywords: محاسبات E. AB ابتدا به ساکن; A. Intermetallics; B. Oxidation; E. Ab-initio calculations; D. Phase interfaces
A first principles study of structural and mechanical properties of Ti2AlZr intermetallic
Keywords: محاسبات E. AB ابتدا به ساکن; A. Intermetallics; E. Ab-initio calculations; E. Electronic structure, calculation; E. Mechanical properties, theory
Structural stability of Fe-based topologically close-packed phases
Keywords: محاسبات E. AB ابتدا به ساکن; B. Density functional theory; B. Electronic structure; E. Phase stability; E. Ab-initio calculations; E. Mechanical properties, theory; E. Phase stability, prediction
First-principles investigation of the Cu–Ni, Cu–Pd, and Ni–Pd binary alloy systems
Keywords: محاسبات E. AB ابتدا به ساکن; E. Ab-initio calculations; E. Monte Carlo simulation; E. Phase stability; Prediction; B. Magnetic properties; B. Order/disorder transformation; B. Bonding
Hydrogen sorption in the LaNi5-xAlx-H system (0 â¤Â x â¤Â 1)
Keywords: محاسبات E. AB ابتدا به ساکن; B. Hydrides; B. Hydrogen storage; B. Thermodynamic properties; E. Ab-initio calculations;
Thermodynamics of Pd-Mn phases and extension to the Fe-Mn-Pd system
Keywords: محاسبات E. AB ابتدا به ساکن; B. Phase stability; B. Thermodynamic properties; B. Order/disorder transformation; E. Ab-initio calculations; A. Biomedical;
Er60Ni132: A new structure from the Ni occupied the 4b sites in cubic laves superstructure synthesized under high pressure and high temperature
Keywords: محاسبات E. AB ابتدا به ساکن; A. Intermetallics; B. X-ray diffraction; E. Ab-initio calculations; B. Hydrogen storage
First-principle study of magnetic, elastic and thermal properties of full Heusler Co2MnSi
Keywords: محاسبات E. AB ابتدا به ساکن; A. Magnetic intermetallics; B. Elastic properties; B. Thermal properties; E. Ab-initio calculations; G. Magnetic applications
First-principle calculations of the electronic, elastic and thermoelectric properties of Ag doped CuGaTe2
Keywords: محاسبات E. AB ابتدا به ساکن; A. Intermetallics, miscellaneous; B. Elastic properties; B. Thermoelectric properties; E. Electronic structure, calculation; E. Ab-initio calculations
First-principles study of influence of Ti vacancy and Nb dopant on the bonding of TiAl/TiO2 interface
Keywords: محاسبات E. AB ابتدا به ساکن; A. Titanium aluminides, based on TiAl; B. Oxidation; E. Ab-initio calculations; D. Phase interfaces
First-principles study on half-metallic properties of the CoMnZ (Z = S, Se, Te) half-Heusler compounds
Keywords: محاسبات E. AB ابتدا به ساکن; A. Magnetic intermetallics; E. Ab-initio calculations; G. Magnetic applications
The structural, elastic, electronic and thermodynamic properties of hexagonal η-Cu6âxNixSn5 (x = 0, 0.5, 1, 1.5 and 2) intermetallic compounds
Keywords: محاسبات E. AB ابتدا به ساکن; A. Intermetallics (aluminides, silicides); E. Phase stability, prediction; E. Electronic structure, calculation; E. Mechanical properties, theory; E. Ab-initio calculations;
First-principles prediction of the glass-forming ability in Zr–Ni binary metallic glasses
Keywords: محاسبات E. AB ابتدا به ساکن; A. Metallic glasses; B. Glass forming ability; E. Ab-initio calculations; E. Molecular dynamics simulation
Site preference and alloying effect on elastic properties of ternary B2Â RuAl-based alloys
Keywords: محاسبات E. AB ابتدا به ساکن; A. Intermetallics; B. Elastic properties; D. Site occupancy; E. Ab-initio calculations;
Stability, elastic and electronic properties of the Rh–Zr compounds from first-principles calculations
Keywords: محاسبات E. AB ابتدا به ساکن; E. Ab-initio calculations; E. Phase stability, prediction; B. Elastic properties; B. Electronic structure of metals and alloys; E. Mechanical properties, theory
Electronic and transport properties of Mg2Si under isotropic strains
Keywords: محاسبات E. AB ابتدا به ساکن; A. Intermetallics; B. Electronic structure of metals and alloys; B. Thermoelectric properties; E. Ab-initio calculations
First-principles investigations on structural, elastic, thermodynamic and electronic properties of Ni3X (X = Al, Ga and Ge) under pressure
Keywords: محاسبات E. AB ابتدا به ساکن; A. Intermetallics, miscellaneous; B. Elastic properties; B. Thermodynamic and thermochemical properties; E. Ab-initio calculations
Electronic structure, phase stability and elastic properties of ruthenium based four intermetallic compounds: Ab-initio study
Keywords: محاسبات E. AB ابتدا به ساکن; B. Brittleness and ductility; B. Density functional theory; B. Mechanical properties; B. Elastic properties; E. Ab-initio calculations;
Glass formability of W-based alloys through thermodynamic modeling: W-Fe-Hf-Pd-Ta and W-Fe-Si-C
Keywords: محاسبات E. AB ابتدا به ساکن; B. Glasses, metallic; B. Phase diagrams; E. Phase diagram, prediction (including CALPHAD); E. Ab-initio calculations;
Ab initio based study of finite-temperature structural, elastic and thermodynamic properties of FeTi
Keywords: محاسبات E. AB ابتدا به ساکن; A. Intermetallics, miscellaneous; B. Elastic properties; B. Thermodynamic and thermochemical properties; E. Ab-initio calculations; G. Automotive uses, including engines;
Effect of the tetragonal distortion on the electronic structure, phonons and superconductivity in the Mo3Sb7 superconductor
Keywords: محاسبات E. AB ابتدا به ساکن; A. Intermetallics, miscellaneous; B. Electronic structure; B. Superconducting properties; E. Ab-initio calculations
Site-occupation behavior and solid-solution hardening effect of rhenium in Mo5SiB2
Keywords: محاسبات E. AB ابتدا به ساکن; A. Intermetallics; B. Solid-solution hardening; D. Site occupancy; E. Ab-initio calculations; F. Nanoindentation;
Half-metallicity in the Inverse Heusler compounds Sc2MnZ (ZÂ =Â C, Si, Ge, and Sn)
Keywords: محاسبات E. AB ابتدا به ساکن; A. Magnetic intermetallics; B. Magnetic properties; E. Ab-initio calculations; G. Magnetic applications;
Density functional study of the mechanical and phonon properties of Al12X (X = Mo, Tc, Ru, W, Re, and Os) compounds
Keywords: محاسبات E. AB ابتدا به ساکن; A. Aluminides, miscellaneous; E. Ab-initio calculations; E. Mechanical properties, theory; E. Physical properties, miscellaneous
Structural, half-metallic and elastic properties of the half-Heusler compounds NiMnM (M = Sb, As and Si) and IrMnAs from first-principles calculations
Keywords: محاسبات E. AB ابتدا به ساکن; A. Magnetic intermetallics; B. Magnetic properties; B. elastic properties; D. Site occupancy; E. Ab-initio calculations
Structural, elastic, electronic, and thermodynamic properties of intermetallic Zr2Cu: A first-principles study
Keywords: محاسبات E. AB ابتدا به ساکن; B. Bonding; B. Brittleness and ductility; E. Ab-initio calculations; E. Phase stability, prediction; B. Electronic structure of metals and alloys; E. Mechanical properties, theory;
NiTiSn a material of technological interest: Ab initio calculations of phase stability and defects
Keywords: محاسبات E. AB ابتدا به ساکن; A. Intermetallics, miscellaneous; B. Thermodynamic and thermochemical properties; D. Defects: point defects; E. Ab-initio calculations; G. Thermoelectric power generation
Ab initio study of the intermetallics in Nb-Si binary system
Keywords: محاسبات E. AB ابتدا به ساکن; A. Silicides; E. Ab-initio calculations; B. Elastic properties; B. Phase transformation; B. Thermodynamic properties;
Temperature-dependent mechanical properties of alpha-/beta-Nb5Si3 phases from first-principles calculations
Keywords: محاسبات E. AB ابتدا به ساکن; A. Intermetallics, miscellaneous; B. Elastic properties; E. Ab-initio calculations; E. Mechanical properties, theory
Configuration of superdislocations in the γâ²-Pt3Al phase of a Pt-based superalloy
Keywords: محاسبات E. AB ابتدا به ساکن; A. Aluminides; B. Plastic deformation mechanisms; D. Defects: dislocation geometry and arrangement; E. Ab-initio calculations; F. Electron microscopy, transmission;
First-principles study of mechanical and electronic properties of TiB compound under pressure
Keywords: محاسبات E. AB ابتدا به ساکن; B. Electronic structure; B. Elastic properties; B. Density functional theory; E. Ab-initio calculations;
Half-metallic ferromagnetism in the RbX (X = Sb, Te) compounds with the rock salt and zinc-blende structures: A first-principles calculation
Keywords: محاسبات E. AB ابتدا به ساکن; A. Magnetic intermetallics; E. Ab-initio calculations; G. Magnetic applications
First-principles study of the hydrogen adsorption and diffusion on ordered Ni3Fe(111) surface and in the bulk
Keywords: محاسبات E. AB ابتدا به ساکن; A. Intermetallics; A. Miscellaneous; B. Diffusion; B. Environmental embrittlement; E. Ab-initio calculations; G. Catalysis;
Point defects and formation driving forces of complex metallic alloys: Atomic-scale study of Al4Cu9
Keywords: محاسبات E. AB ابتدا به ساکن; A. Intermetallics, miscellaneous; D. Defects: point defects; E. Phase stability, prediction; E. Ab-initio calculations
Alloys based on Cr-Cr2Ta containing Si
Keywords: محاسبات E. AB ابتدا به ساکن; A. Laves phases; B. Oxidation; D. Site occupancy; E. Ab-initio calculations; F. Electron microscopy, scanning; F. Diffraction;
First principles calculations of the stability of the T2 and D88 phases in the V–Si–B system
Keywords: محاسبات E. AB ابتدا به ساکن; A. Intermetallics; B. Thermodynamic properties; D. Defects: point defects; E. Ab-initio calculations; E. Phase stability, prediction; E. Electronic structure, calculations