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 Shear modulus Density functional theory Plane wave Entropy Semiconductor Pseudopotential Mathematical optimization Magnetic moment Isothermal process Intermolecular force Bulk modulus Anisotropy Finite element method Thermal conductivity Adsorption Band gap X-ray crystallography Carbon HOMO/LUMO Ferromagnetism Permittivity Electronvolt Enthalpy Algorithm Heat capacity Gibbs free energy Phase transition Laser Electrical resistivity and conductivity Thermal expansion Quantum ESPRESSO Genetic algorithm Particle swarm optimization Topology Muon Spectroscopy Activation energy Acid Nucleation Thermogravimetric analysis
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Publications tagged with this subject: 28

Note: Top 50 publications shown only. Open an item panel to view more info (open all)


1. Tin diffusion in germanium: a thermodynamic approach

2. P-V-T behavior of FeO(OH) and MnO(OH)

3. FTIR spectra and elastic properties of Cd-substituted Ni–Zn ferrites

4. A computational study of the optoelectronic and thermoelectric properties of HfIrX (X = As, Sb and Bi) in the cubic LiAlSi-type structure

5. A DFT Study on Structural, Electronic Mechanical and Thermodynamic Properties of 5f-Electron System BaAmO3

6. First-principles investigation of the equation of state and elastic properties of perovskite-type SrW(O,N)3 under hydrostatic pressures up to 139 GPa

7. Rock-physics models of hydrate-bearing sediments in permafrost, Qilian Mountains, China

8. First principles investigation of the mechanical, thermodynamic and electronic properties of FeSn5 and CoSn5 intermetallic phases under pressure

9. First-Principles Calculations of Structural, Electronic and Optical Properties of Ternary Semiconductor Alloys ZAs x Sb1−x (Z = B, Al, Ga, In)

10. Structural, elastic, optoelectronic and magnetic properties of $$\mathbf{CdHo }_\mathbf{2}{} \mathbf{S}_\mathbf{4}$$ CdHo2S4 spinel: a first-principle study

11. Ab initio studies of structural, electronic, optical, elastic and thermal properties of CuGaTe2

12. Effect of ordered B-site cations on the structure, elastic and thermodynamic properties of KTa0.5Nb0.5O3 crystal

13. Effects of Codoping with Ga and P on Thermoelectric Properties of Ba8Al16Si30 Clathrate System

14. Thermodynamic Properties of Compressed CuX (X = Cl, Br) Compounds: Ab Initio Study

15. Electronic structure of the rare-earth superstoichiometric dihydride GdH2.25

16. The geochemical and petrological characteristics of prenatal caldera volcano: a case of the newly formed small dacitic caldera, Hijiori, Northeast Japan

17. Design of materials using hybrid cellular automata

18. Optimization of uncertain acoustic metamaterial with Helmholtz resonators based on interval model

19. The Phase Stability, Ductility and Hardness of MoN and NbN: First-Principles Study

20. Magnetic, Mechanical, and Electronic Properties of RhH x (x = 0, 0.25, 0.75, 1) from First-Principles Calculations

21. Mechanical properties, Born effective charge tensors and high frequency dielectric constants of the eight phases of BaTiO3

22. On the admissible range of the radial temperature gradient and Brünt-Väisäla frequency in the mantle and core: I. Main relations

23. A Thermodynamic Framework Bridging the Composition and Temperature Dependence of Bulk Modulus With Enthalpy of Mixing

24. Density-Functional-Theory Study of Cohesive, Structural and Electronic Properties of Ni-Sb Intermetallic Phases

25. Deformation and stability of compressible rubber O-rings

26. Influence of Si substitution on structural, electronic and magnetic properties of Fe2MnGa Heusler compound

27. Electronic, elastic and optical properties of divalent (R+2X) and trivalent (R+3X) rare earth monochalcogenides

28. The Structural, Electronic, Magnetic, and Optical Properties of Mn2ZrGa1−x Ge x Heusler Alloys: First-Principles Calculations


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