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Debye model
About: Debye model is a research topic. Over the lifetime, 7462 publications have been published within this topic receiving 133987 citations.
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TL;DR: The heat capacity of amorphous silicon has been measured between 2 and 50 K using an a.c. calorimetry technique as mentioned in this paper, which indicates a general reduction in frequency of the transversal-acoustic modes with respect to the corresponding modes of crystalline silicon.
40 citations
TL;DR: In this article, the X-ray diffraction pattern (XRD) of as-prepared samples revealed the cubic inverse spinel structure of CoFe 2 O 4 and Transmission electron microscopy (TEM) images showed nanoplatelets with rhomboidal shaped of average particle size of 17.3 and 14.nm for CF-CT and CF-SD respectively.
40 citations
TL;DR: In this paper, a comprehensive computational study of elastic properties of cementite and its alloyed counterparts is carried out employing electronic density functional theory (DFT), all-electron PAW pseudopotentials and the generalized gradient approximation for the exchange-correlation energy (GGA).
Abstract: A comprehensive computational study of elastic properties of cementite (Fe3C) and its alloyed counterparts (M3C (M = Al, Co, Cr, Cu, Fe, Hf, Mn, Mo, Nb, Ni, Si, Ta, Ti, V, W, Zr, Cr2FeC and CrFe2C) having the crystal structure of Fe3C is carried out employing electronic density-functional theory (DFT), all-electron PAW pseudopotentials and the generalized gradient approximation for the exchange-correlation energy (GGA). Specifically, as a part of our systematic study of cohesive properties of solids and in the spirit of materials genome, following properties are calculated: (i) single-crystal elastic constants, Cij, of above M3Cs; (ii) anisotropies of bulk, Young’s and shear moduli, and Poisson’s ratio based on calculated Cijs, demonstrating their extreme anisotropies; (iii) isotropic (polycrystalline) elastic moduli (bulk, shear, Young’s moduli and Poisson’s ratio) of M3Cs by homogenization of calculated Cijs; and (iv) acoustic Debye temperature, θD, of M3Cs based on calculated Cijs. We provide a critica...
40 citations
TL;DR: In this paper, the phonon dispersion curves, density of states, Debye temperature, heat capacity, surface energy and thermal expansion properties of these metals are calculated, which are comparable to experimental and other theoretical results, and properties of point defects, such as vacancy, divacancy, and self-interstitial atoms, have also been evaluated with these potentials, and the diffusion mechanism in alkali metals are discussed.
Abstract: Analytic modified embedded atom method type many-body potentials have been constructed for alkali metals. The bcc lattice is shown to be energetically most stable when compared with fcc and ideal hcp structures. The phonon dispersion curves, density of states, Debye temperature, heat capacity, surface energy and thermal expansion properties of these metals are calculated, which are comparable to experimental and other theoretical results. The properties of point defects, such as vacancy, divacancy, and self-interstitial atoms, have also been evaluated with these potentials, and the diffusion mechanism in alkali metals are discussed.
40 citations
TL;DR: In this paper, the authors provided the first systematic test of validity of the embedded-atom potentials of Mei et al. via a complete study of the vibrational and thermodynamic properties of isoelectronic transition (Ni, Pd, Pt) and noble (Cu, Ag, Au) metals.
40 citations