scholarly journals Relations between the cohesive energy, atomic volume, bulk modulus and sound velocity in metals

2011 ◽  
Vol 289 ◽  
pp. 012020 ◽  
Author(s):  
S Wacke ◽  
T Górecki ◽  
Cz Górecki ◽  
K Książek
Keyword(s):  
Bulk Modulus ◽  
Sound Velocity ◽  
Cohesive Energy ◽  
Atomic Volume

RELATION OF INTER-ATOMIC FORCES IN SOLIDS TO BULK MODULUS, COHESIVE ENERGY AND THERMAL EXPANSION

2008 ◽  
Vol 22 (25) ◽  
pp. 2481-2492 ◽  
Author(s):  
VOICU DOLOCAN ◽  
ANDREI DOLOCAN ◽  
VOICU OCTAVIAN DOLOCAN
Keyword(s):  
Thermal Expansion ◽  
Bulk Modulus ◽  
Crystal Structures ◽  
Force Constant ◽  
Lattice Constant ◽  
Cohesive Energy ◽  
Figure Of Merit ◽  
Atomic Volume ◽  
Thermal Expansion Coefficients ◽  
Expansion Coefficients

We present theoretical expressions relating the cohesive energy to the bulk modulus, the force constant and the lattice constant applicable to solids with a variety of crystal structures. We have found that the cohesive energy is directly proportional to the ratio between the product of the bulk modulus through the atomic volume and the exponent of the repulsion term. We have defined a figure of merit for materials as the ratio between the product of the bulk modulus through the atomic volume and the cohesive energy. The reciprocal of this ratio is a measure of the hardness of materials. Likewise, we have found the expressions for anharmonicity and thermal expansion coefficients, which can explain, also, their possible negative values.

Universality relationships in condensed matter: Bulk modulus and sound velocity

1988 ◽  
Vol 37 (9) ◽  
pp. 4351-4357 ◽  
Author(s):  
Herbert Schlosser ◽  
John Ferrante
Keyword(s):  
Bulk Modulus ◽  
Sound Velocity ◽  
Condensed Matter

scholarly journals Correlations of Equilibrium Properties and Electronic Structure of Pure Metals

Materials ◽  
2019 ◽  
Vol 12 (18) ◽  
pp. 2932
Author(s):  
Jianhong Dai ◽  
Dongye He ◽  
Yan Song
Keyword(s):  
Electronic Structure ◽  
Transition Metals ◽  
Bulk Modulus ◽  
Critical Point ◽  
First Principles ◽  
Cohesive Energy ◽  
First Principles Calculations ◽  
Structure Parameter ◽  
Valence Transition ◽  
Pure Metals

First principles calculations were carried out to study the equilibrium properties of metals, including the electrons at bonding critical point; ebcp; cohesive energy; Ecoh; bulk modulus; B; and, atomic volume; V. 44 pure metals, including the s valence (alkali), p valence (groups III to V), and d valence (transition) metals were selected. In the present work, the electronic structure parameter ebcp has been considered to be a bridge connecting with the equilibrium properties of metals, and relationships between ebcp and equilibrium properties (V; Ecoh; and B) are established. It is easy to estimate the equilibrium properties (Ecoh; V, and B) of pure metals through proposed formulas. The relationships that were derived in the present work might provide a method to study the intrinsic mechanisms of the equilibrium properties of alloys and to develop new alloys.

scholarly journals Ab initiocalculations of the cohesive energy and the bulk modulus of aluminium

2002 ◽  
Vol 14 (38) ◽  
pp. 8787-8793 ◽  
Author(s):  
R Gaudoin ◽  
W M C Foulkes ◽  
G Rajagopal
Keyword(s):  
Bulk Modulus ◽  
Cohesive Energy

SPECIFIC HEAT OF Tb0.5Sr0.5CoO3 CERAMICS

2013 ◽  
Vol 22 ◽  
pp. 391-396
Author(s):  
RASNA THAKUR ◽  
RAJESH K. THAKUR ◽  
N. K. GAUR
Keyword(s):  
Experimental Data ◽  
Thermodynamic Properties ◽  
Bulk Modulus ◽  
Specific Heat ◽  
Debye Temperature ◽  
Cohesive Energy ◽  
Grüneisen Parameter ◽  
Temperature Range ◽  
Proper Interpretation ◽  
Rigid Ion Model

We have investigated the thermal and allied properties of Tb0.5Sr0.5CoO3 for the temperature range 1K≤T≤300K using the Modified Rigid Ion Model (MRIM). The calculated bulk modulus, specific heat, and other thermodynamic properties obtained from MRIM have presented proper interpretation of the experimental data, for Sr ions doped TbCoO3 . In addition, the results on the cohesive energy (φ), Debye temperature (θD) and Gruneisen parameter (γ) are also discussed.

Stability of tight-packed metals with the embedded-atom method

1992 ◽  
Vol 7 (4) ◽  
pp. 883-887 ◽  
Author(s):  
R.A. Johnson
Keyword(s):  
Shear Modulus ◽  
Bulk Modulus ◽  
Cohesive Energy ◽  
Input Data ◽  
Formation Energy ◽  
Stacking Faults ◽  
Embedded Atom Method ◽  
Distance Curve ◽  
Embedded Atom ◽  
Cutoff Distance

Relationships between embedded-atom method parameters and the energies of fcc-hcp stability and intrinsic and extrinsic fcc stacking-faults were studied for Cu, Ag, Au, Ni, Pd, and Pt. It was found that the relative magnitudes of these energies for different metals are determined primarily by the physical input data and are almost independent of the cutoff distance and the functions used in the model. These energies increase with increasing vacancy formation energy, decrease with increasing atomic volume and shear modulus, and are almost independent of variations in the cohesive energy and the bulk modulus. However, the shape of the energy versus cutoff distance curve is almost the same for all six metals and is determined primarily by the cutoff distance and the functions used in the model. The shape for a given model is almost independent of the physical input parameters used for fitting to specific metals, can yield either positive or negative values (determined primarily by the cutoff distance), and is similar for all three energies.

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