Keywords: انرژی انعطاف پذیر; Density functional theory; Heavily nitrogen-doped carbon nanotubes; Band structure; Formation energy; Cohesive energy; Stability;
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Keywords: انرژی انعطاف پذیر; Nanocrystals; Cohesive energy; Melting temperature; Debye temperature; Energy band gap; Specific heat capacity;
Keywords: انرژی انعطاف پذیر; Cohesive energy; Coordination number; Nanoparticles;
Keywords: انرژی انعطاف پذیر; Asphalt concrete; R-curve; Fracture energy; Cohesive energy; Energy rate;
Keywords: انرژی انعطاف پذیر; Thermodynamics modeling; Nano-structured materials; Cohesive energy; Nano-composites;
Keywords: انرژی انعطاف پذیر; Hybrid graphene/h-BN; Interface; Vacancy defect; Cohesive energy; Electronic property;
Keywords: انرژی انعطاف پذیر; Graphene; Bandgap; Nanostructures; Edge; Interface; Cohesive energy
Keywords: انرژی انعطاف پذیر; Cohesive energy; Thin film; Sphere; Matrix; Substrate; Continuum model;
Keywords: انرژی انعطاف پذیر; Molten salts; Fluidity; Molar volume; Cohesive energy; Heat capacity
Keywords: انرژی انعطاف پذیر; Nanodiamond; Composite film; Interface structure; First principle; Cohesive energy;
Keywords: انرژی انعطاف پذیر; Vegard's law; Electron density; Atom radius; Thomas-Fermi-Dirac; Cohesive energy; Lattice parameter;
Keywords: انرژی انعطاف پذیر; Boundary thermodynamics; Chemical potential tensor; Line tension; Line energy; Cohesive energy; Graphene; Graphite;
Physical and optical properties of thermally deposited Ge-S-Ga thin films
Keywords: انرژی انعطاف پذیر; Chalcogenide glasses; Average coordination number; Cohesive energy; Glassy alloy; Refractive index; Transmission spectra and optical band gap etc.;
MD simulation-based study on the thermodynamic, structural and liquid properties of gold nanostructures
Keywords: انرژی انعطاف پذیر; Size effect; Gold nanoparticles; Cohesive energy; Thermodynamic properties; Diffusion; Molecular dynamic simulations;
First principles calculation of interfacial stability, energy and electronic properties of SiC/ZrB2 interface
Keywords: انرژی انعطاف پذیر; First-principles; SiC/ZrB2 interface; Cohesive energy; Interfacial energy; Electronic properties;
Investigation of optical properties of amorphous Ge15Se85-xCux thin films using spectroscopic ellipsometry
Keywords: انرژی انعطاف پذیر; Ge15Se85-xCux thin film; Spectroscopic ellipsometry; Band gap; Transmittance spectra; Cohesive energy
Thermodynamic properties of Ln1−xSrxCoO3 (Ln = Pr, Nd, Sm and Dy)
Keywords: انرژی انعطاف پذیر; Specific heat; Thermal expansion; Cohesive energy; Cobaltates
Influence of Zr content on β-phase stability in α-type Ti-Al alloys
Keywords: انرژی انعطاف پذیر; Phase stability; Zr-effect; α-type Ti alloys; Cohesive energy;
Crystal and chemical anisotropy effects in AE2ZnN2, (AE = Ca, Sr, Ba) from ab initio
Keywords: انرژی انعطاف پذیر; Nitrides; DFT; Compressibility; Cohesive energy; Elastic properties; Bonding
First principles account for large changes in electronic structure and bonding from LaCu to LaCuMg and LaCuMg4
Keywords: انرژی انعطاف پذیر; DFT; Equation of state; Cohesive energy; Chemical bonding;
Van der Waals density functional theory study for bulk solids with BCC, FCC, and diamond structures
Keywords: انرژی انعطاف پذیر; Van der Waals interactions; Density functional theory; Bulk solids; Lattice constant; Bulk modulus; Cohesive energy
Half-metallic ferromagnetism and electronic structures in zinc blende YC: The first-principles calculations
Keywords: انرژی انعطاف پذیر; Half-metallicity; Electronic structure; Cohesive energy;
Electronic structure and peculiar bonding properties of NdNiMg5 from first principles
Keywords: انرژی انعطاف پذیر; Intermetallics; Magnetism; DFT; Cohesive energy; Elastic properties; Chemical bonding
Effects of spin orbital coupling on atomic and electronic structures in Al2Cu and Al2Au crystal and liquid phases via ab initio molecular dynamics simulations
Keywords: انرژی انعطاف پذیر; Melting point; Liquid structure; Cohesive energy; Spin orbit coupling; Density function theory
Compositional dependence of the optical properties of amorphous Se80 â xTe20Bix thin films using transmittance and reflectance measurements
Keywords: انرژی انعطاف پذیر; Amorphous semiconductors; Thin films; Optical constants; Energy gap; Cohesive energy;
Surface tension and cohesive energy density of molten salts
Keywords: انرژی انعطاف پذیر; Molten salts; Corresponding temperature; Surface tension; Cohesive energy; Cohesive energy density
Volumetric behavior of molten salts
Keywords: انرژی انعطاف پذیر; Molten salts; Corresponding temperatures; Density; Isobaric expansibility; Cohesive energy
Study on formability of solid nanosuspensions during nanodispersion and solidification: I. Novel role of stabilizer/drug property
Keywords: انرژی انعطاف پذیر; Solid nanosuspension; Formability; Nanodispersion; Solidification; Contact angle; Cohesive energy; Redispersibility
Understanding the chiral selectivity of gold nanotubes
Keywords: انرژی انعطاف پذیر; Gold nanotubes; First principles; Chiral selectivity; Cohesive energy
Structural, electronic and elastic properties of potassium hexatitanate crystal from first-principles calculations
Keywords: انرژی انعطاف پذیر; Potassium hexatitanate whisker; Formation enthalpy; Cohesive energy; Electronic structure; Elastic constant;
First principle study on the electronic and magnetic properties in Zn0.75Cr0.25M (MÂ =Â S, Se, Te) semiconductors
Keywords: انرژی انعطاف پذیر; Electronic properties; Band structure; Magnetic properties; Formation energy; Cohesive energy; First principles;
Thermophysical properties of Pr1−xCaxCoO3
Keywords: انرژی انعطاف پذیر; Specific heat; Thermal expansion; Cobaltate; Cohesive energy
Effect of cohesive energy on thermal expansion behavior of T6 tempered 7A09 aluminum alloy
Keywords: انرژی انعطاف پذیر; Aluminum alloy; Phase transition; Cohesive energy; Thermal expansion
Electronic structure of CaX (X = O, S, Se) compounds using Compton spectroscopy
Keywords: انرژی انعطاف پذیر; Electronic structure; Compton profile; LCAO method; Charge transfer; Cohesive energy
Bulk modulus and thermal properties of RVO3 (RÂ =Â La, Ce, Pr, Nd)
Keywords: انرژی انعطاف پذیر; Perovskites; Cohesive energy; Bulk modulus; Specific heat;
Stability of Ir-Fe alloys and nitrides Ir-Fe-N through first principles models
Keywords: انرژی انعطاف پذیر; LAPW; Nitrides; Energy of formation; Cohesive energy; Stability;
Comparison of the effects of the lubricant-molecule chain length and the viscosity on the friction and wear of diamond-like-carbon coatings and steel
Keywords: انرژی انعطاف پذیر; Diamond-like carbon (DLC); Oil molecular chain length; Viscosity; Cohesive energy
Modeling dispersion of dry powders for inhalation. The concepts of total fines, cohesive energy and interaction parameters
Keywords: انرژی انعطاف پذیر; Cohesive energy; Dispersion; Dry powder formulation; Fine particle fraction; Modeling; Total fines;
A simple model for the size and shape dependent Curie temperature of freestanding Ni and Fe nanoparticles based on the average coordination number and atomic cohesive energy
Keywords: انرژی انعطاف پذیر; Modelling; Curie temperature; Average coordination number; Cohesive energy; Nanoparticle;
Five-parameter equation of solids considering thermal effect which correctly incorporates cohesive energy
Keywords: انرژی انعطاف پذیر; Equation of state; Cohesive energy; Einstein modal; Thermodynamic properties
The cohesive energy of molten salts and its density
Keywords: انرژی انعطاف پذیر; Molten salts; Cohesive energy; Gas solubility; Internal pressure
Analytical model based on cohesive energy to indicate the edge and corner effects on melting temperature of metallic nanoparticles
Keywords: انرژی انعطاف پذیر; Melting temperature; Nanoparticle; Cohesive energy; Edge and corner atoms; Analytical model;
An optical study of vacuum evaporated Se85−xTe15Bix chalcogenide thin films
Keywords: انرژی انعطاف پذیر; Chalcogenide glasses; Refractive index; WDD Model; Cohesive energy; Optical band gap; Swanepoel's method
Correlation between target surface and layer nucleation in the synthesis of Al–Cr–O coatings deposited by reactive cathodic arc evaporation
Keywords: انرژی انعطاف پذیر; Arc evaporation; Ternary oxide; Target; Nucleation; Intermetallics; Phase diagram; Cohesive energy
The gelling of κ-carrageenan in light and heavy water
Keywords: انرژی انعطاف پذیر; Isotopic effect; Helix–coil transition; Cohesive energy
Structural and elastic properties of copper iodide
Keywords: انرژی انعطاف پذیر; 64.70.Kb; 61.72; 62.20.de; 62.20.dq; 61.50.Lt; High pressure; Structural phase transition; Gibbs free energy; Volume collapse; Elastic constants; Cohesive energy;
Surface reactions of uranium oxide powder, thin films and single crystals
Keywords: انرژی انعطاف پذیر; UO2; U3O8; UO3; XPS-U4f; UPS-UO2; UPS-U3O8; TPD-UO2; TPD-U3O8; Formic acid; Formaldehyde; Acetone; SO2; NO2; Thiophene; Raman- UO2; Raman U3O8; Water-TPD; CO-TPD; AES-UO2; Hydrogen; Reductive coupling; Oxidative coupling; Ammoxidation; LEED-UO2; IR-formal
Size-dependent thermal stability and the smallest nanocrystal
Keywords: انرژی انعطاف پذیر; 61.46.Hk; 61.50.Lt; 64.70.Dv; 68.60.DvNanocrystals; Cohesive energy; Solid–liquid transitions; Thermal stability
Energetics and electronic properties of Mg7TMH16 (TM=Sc, Ti, V, Y, Zr, Nb): An ab initio study
Keywords: انرژی انعطاف پذیر; 71.15.Mb; 71.15.Nc; 65.40.−b; 71.20.−bAb initio calculations; Cohesive energy; Enthalpy of formation; Electronic structure
A universal relation for the cohesive energy of nanoparticles
Keywords: انرژی انعطاف پذیر; 61.50.Lt; 36.40.Qv; 68.03.CdLiquid-drop model; Cohesive energy; Nanoparticles; Evaporation temperature