Keywords: ویژگی های ترمودینامیکی; First-principles calculations; Aluminum-rare-earth intermetallics; Thermodynamics properties; Solubility;
مقالات ISI ویژگی های ترمودینامیکی (ترجمه نشده)
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Keywords: ویژگی های ترمودینامیکی; CO2; Mineralization; Thermodynamics properties; Dynamical properties; Molecular dynamics; Monte Carlo
Thermodynamic properties of Li-Pb system
Keywords: ویژگی های ترمودینامیکی; Integral enthalpy of mixing; Li-Pb system; Thermodynamics properties; Calorimetry; Thermochemistry;
Recently synthesized (Zr1-xTix)2AlC (0â¯â¤â¯xâ¯â¤â¯1) solid solutions: Theoretical study of the effects of M mixing on physical properties
Keywords: ویژگی های ترمودینامیکی; (Zr1-xTix)2AlC solid solutions; Mechanical properties; Electronic properties; Thermodynamics properties; First-principles calculation;
Theoretical study of optoelectronic and thermodynamic properties of molecule 4-[2-(2-N,N-dihydroxy amino thiophene)vinyl]benzanamine: Influence of hydroxyl position
Keywords: ویژگی های ترمودینامیکی; Organics semiconductors; Optical materials; Optoelectronics properties; Electronics properties; Non-linearity; Thermodynamics properties;
Phase transition, thermodynamics properties and IR spectrum of α- and γ-RDX: First principles and MD studies
Keywords: ویژگی های ترمودینامیکی; RDX; First principles; MD; Phase transition; Thermodynamics properties; IR spectrum;
FP-LAPW investigation of mechanical and thermodynamic properties of X2O (X = Na and K) under pressure and temperature effects
Keywords: ویژگی های ترمودینامیکی; Anti-fluorite: Na2O and K2O; FP-LAPW; GGA; Structural properties; Thermodynamics properties
Electronic structures and thermodynamic properties of HfAl3 in L12, D022 and D023 structures
Keywords: ویژگی های ترمودینامیکی; first principles calculations; HfAl3; electronic structure; thermodynamics properties;
Kinetics and thermodynamic parameters of ionic liquid pretreated rubber wood biomass
Keywords: ویژگی های ترمودینامیکی; Rubber wood; Ionic liquids; Thermal analysis; Activation energy; Thermodynamics properties;
Elastic, phonon and thermodynamic properties of ZnAl2O4 and ZnAl2S4 compounds from first–principles calculations
Keywords: ویژگی های ترمودینامیکی; Spinel; Elastic properties; Phonon properties; Thermodynamics properties
First-principles investigation on the mechanical, vibrational and thermodynamics properties of AuCu3-type X3Sc (XÂ =Â Al, Ga, In) intermetallic compounds
Keywords: ویژگی های ترمودینامیکی; AuCu3-type X3Sc; First-principles; Mechanical properties; Vibrational properties; Thermodynamics properties;
First-principles investigation of the structural, electronic and elastic properties of MgxAl4âxSr (x = 0, 0.5, 1) phases
Keywords: ویژگی های ترمودینامیکی; MgxAl4âxSr; Electronic structure; Elastic properties; Thermodynamics properties; First-principles;
Thermal properties of a DNA denaturation with solvent interaction
Keywords: ویژگی های ترمودینامیکی; Morse potential; Nonlinear dynamics; DNA segment; Thermodynamics properties;
First-principle study of the physics properties of DO3–Mg3Nd compound under high pressure
Keywords: ویژگی های ترمودینامیکی; Mg3Nd; First-principles calculations; Phonon properties; Elastic properties; Thermodynamics properties
First-principles calculations of elastic and thermodynamic properties of the four main intermetallic phases in Al-Zn-Mg-Cu alloys
Keywords: ویژگی های ترمودینامیکی; First-principles calculations; Elastic constants; Thermodynamics properties; Intermetallic phases;
Thermodynamic properties and thermal conductivities of TiAl3-type intermetallics in Al–Pt–Ti system
Keywords: ویژگی های ترمودینامیکی; L12-Ti(Al Pt)3; First principles; Thermodynamics properties; Thermal conductivity
Thermal stabilities, elastic properties and electronic structures of B2-MgRE (REÂ =Â Sc, Y, La) by first-principles calculations
Keywords: ویژگی های ترمودینامیکی; Magnesium alloys; First-principles; Thermodynamics properties; Elastic properties; Electronic structure;
Structural, dynamical and thermodynamics properties of YBi
Keywords: ویژگی های ترمودینامیکی; DFT; Vibrational properties; Thermodynamics properties; YBi
Ab initio study of the structural, phonon, elastic and thermodynamic properties of the ordered Ge0.5Sn0.5 cubic alloy under high pressure
Keywords: ویژگی های ترمودینامیکی; Ge0.5Sn0.5; First-principles calculations; Phonon properties; Elastic constants; Thermodynamics properties;
The mechanical, thermodynamic and electronic properties of Al3Nb with DO22 structure: A first-principles study
Keywords: ویژگی های ترمودینامیکی; First-principles calculation; Al3Nb phase; Elastic properties; Electronic structure; Thermodynamics properties
First-principles investigations on elastic, phonon and thermodynamic properties of SrB6 under pressure
Keywords: ویژگی های ترمودینامیکی; SrB6; Elastic properties; Phonon; Thermodynamics properties; Density functional theory
Electronic structural, elastic properties and thermodynamics of Mg17Al12, Mg2Si and Al2Y phases from first-principles calculations
Keywords: ویژگی های ترمودینامیکی; Mg-Al alloys; Electronic structure; Elastic properties; Thermodynamics properties; First-principles;
First-principles calculations of structural stability, elastic, dynamical and thermodynamic properties of SiGe, SiSn, GeSn
Keywords: ویژگی های ترمودینامیکی; First-principles calculations; Structural stability; Elastic constants; Lattice dynamics; Thermodynamics properties
Lattice dynamics study of lead chalcogenides
Keywords: ویژگی های ترمودینامیکی; Phonons; Lead chalcogenides; Thermodynamics properties
Improved activation and hydrogen storage properties of a Mg85Ni15 melt-spun alloy via surface treatment with NH4+ solution
Keywords: ویژگی های ترمودینامیکی; Metals; Nanostructures; Crystallisation; Phase transitions; Thermodynamics properties
Elastic and thermodynamic properties of CaB6 under pressure from first principles
Keywords: ویژگی های ترمودینامیکی; CaB6; Elastic properties; Thermodynamics properties; Density functional theory;
Structural, mechanical, thermodynamics properties and phase transition of FeVSb
Keywords: ویژگی های ترمودینامیکی; FeVSb; Mechanical properties; Thermodynamics properties; Phase transition; Generalized gradient approximation
Study of the oxide reduction and interstitial contents during sintering of different plain carbon steels by in situ mass spectrometry in nitrogen atmosphere
Keywords: ویژگی های ترمودینامیکی; Metals; Oxides; Powder metallurgy; Sintering; Chemical techniques; Thermodynamics properties
Investigations on hydrogen desorption from the mixture of Mg(NH2)2 and CaH2
Keywords: ویژگی های ترمودینامیکی; Hydrogen absorbing materials; Metal hydride; Metal amide; Gas–solid reaction; Thermodynamics properties
Interpretation of experimental results of spin chains with weak interchain interaction
Keywords: ویژگی های ترمودینامیکی; Heisenberg Hamiltonian; Thermodynamics properties;
Aggregation behavior of quaternary salt based cationic surfactants
Keywords: ویژگی های ترمودینامیکی; Micellization; Thermodynamics properties; Quaternary salts; Mass action model; Differential conductivity;