Technique of Heat Capacity Calculation of Solid Body Lattice Using Interatomic Potential
| Authors | A.A. Gaisha |
| Affiliations | National University of Shipbuilding named after admiral Makarov, 9, Geroev Stalingrada Av., 54000 Mykolaiv, Ukraine |
| Е-mail | physics2005@mail.ru |
| Issue | Volume 4, Year 2012, Number 2 |
| Dates | Received 07 September 2011; published online 04 June 2012 |
| Citation | A.A. Gaisha, J. Nano- Electron. Phys. 4 No 2, 02035 (2012) |
| DOI | |
| PACS Number(s) | 1.50.Ah, 65.40.Ba |
| Keywords | Heat capacity (3) , Interatomic potential, Potential energy of the atom in the lattice, Heat expansion, Crystal lattice. |
| Annotation | Solid body lattice heat capacity calculation technique is proposed. Lattice energy is determined using the one-atom energy, which is calculated as a sum of potential energies of atom interactions with its neighbors (more than 30 coordination spheres are taken into account). Considering heat expansion, there is a dependence of the lattice distance (and so the potential energy) on the temperature. Based on this the heat capacity was determined, and its value corresponds better to the experimental data than other all-known dependences. |
|
List of References English version of article |
Other articles from this number
1) Numerical Simulation of Intensity Fluctuations in Random Laser Systems [02001-1-02001-5]2) High Second-Order Nonlinear Susceptibility Induced in GaN/AlxGa1 – xN Coupled Quantum Well for Infrared Photodectors Application [02002-1-02002-3]
3) Bulk Spin-Wave Filtration at the Interface of Two Uniaxial Ferromagnetic Media [02003-1-02003-3]
4) Design and Implementation of a Hybrid SET-CMOS Based Sequential Circuits [02004-1-02004-5]
5) Overview of Bottom-up Nano Electronics Materials and Its Application [02005-1-02005-8]
6) Electrical Transport Characteristics and Deep Level Transient Spectroscopy of Ni/V/n-InP Schottky Barrier Diodes [02006-1-02006-9]
7) Nanostructure Zinc Oxide with Cobalt Dopant by PLD for Gas Sensor Applications [02007-1-02007-6]
8) Superconducting State Parameters of Binary Superconductors [02008-1-02008-7]
9) Prospects of III-Vs for Logic Applications [02009-1-02009-5]
10) The Role of Interactions in Systems of Single Domain Ferrimagnetic Iron Oxide Nanoparticles [02010-1-02010-7]
11) Evolution of Growth Processes of Paraphase Nanostructures of Lead Telluride [02011-1-02011-5]
12) Structure and Electrical Properties of Thin Films ofPure and Bismuth-Doped Lead Telluride [02012-1-02012-5]
13) Diffusion-Less Recrystallization at High Uniaxial Deformation [02013-1-02013-5]
14) Magnetoresistive Effect and the Magnetic Parameters of Nanocrystalline Films Based on Co, Fe, Ag and Cu [02014-1-02014-6]
15) Active FEL-Klystrons as Formers of Femto-Second Clusters of Electromagnetic Field. Systems on the Basis of Two-Stream Instability [02015-1-02015-7]
16) Analysis of the possibilities of using interatomic potential for modeling of the matter properties [02016-1-02016-4]
17) Quasi-Equilibrium Processes in the High-Excited Resazurin Molecules [02017-1-02017-7]
18) Change in the Electrochemical Parameters and Material Conductivity During Cycling of Electrochemical Cells with Cathodes Based on MgF2 [02018-1-02018-6]
19) Oscillations of thermoelectric parameters of PbTe:Bi nanofilms on glass-ceramic [02019-1-02019-6]
20) Synthesis and Properties of Hybrid Colloidal Au-CdSe Nanoparticles [02020-1-02020-3]
21) Quantum Confinement in Cadmium Selenide Multilayer Thin Films Using Physical Vapour Deposition Method [02021-1-02021-3]
22) Fabrication of Low-Roughness Au/Ti/ SiO2/Si Substrates for Nanopatterning of 16-Mercapto Hexadecanoic Acid (MHA) by Dip-Pen-Nanolithography [02022-1-02022-4]
23) Analytical Modeling of SON MOSFET and Realization Inverter Circuit for High Speed and Ultra Dense Low Power Circuits [02023-1-02023-5]
24) Effect of Impurity Concentration on the Depth Profile of the Electric Field within Monolayer Thin Film [02024-1-02024-4]
25) Static and Vibrational Properties of Equiatomic Cesium-Alkali Binary Alloys [02025-1-02025-6]
26) Influence of Spectral Characteristics of Correlated Noises on the Behavior of Stochastic System [02026-1-02026-7]
27) Correlation Effects in Biological Networks [02027-1-02027-4]
28) One-way Penetration of the Boundary Wave in Anisotropic Structures [02028-1-02028-4]
29) Aspects of Metal Surface Glowing Mechanisms with Intensive Electron Beam Bombardment [02029-1-02029-4]
30) Electrochemiluminescent Properties of Organic Films with Incorporated Carbon Nanotubes [02030-1-02030-4]
31) Technique for the Determination of the Elastic Stiffness Coefficient of Interatomic Connection Based on the Experimental Weight-Loading Curve [02031-1-02031-4]
32) Penetration Effect for Tangential Direction of the Anisotropy Axis in Anisotropic Medium [02032-1-02032-6]
33) Fiber Optic Sensor Application for Nanoparticle Size Measurement in Chemical Reactors [02033-1-02033-4]
34) Properties of Zr – 12.5 % Nb and Zr – 25 % Nb Alloys with hcp and bcc Lattices: ab-initio Modeling [02034-1-02034-6]
35) Formation Features of the Porous Silicon Layers Modified by НСl and HBr in the Context of Optical Properties [02036-1-02036-4]
36) Active FEL-Klystrons as Formers of Femto-Second Clusters of Electromagnetic Field. Nonlinear Physics of the Transit Section [02037-1-02037-7]
37) Software and Hardware System for the Investigation of the Thin Film Optical Properties [02038-1-02038-6]
38) Gold Nanocrystals as a Substrate for Microraman Spectroscopy [02039-1-02039-8]
39) Realization of inhomogeneous magnetic field for prism-type mass analyzer [02040-1-02040-3]
40) Quantitative Detection of the Contrast of Electron Microscopic Images of Amorphous Nanomaterials with the Complex Chemical Composition [02041-1-02041-5]
41) Surface Topology of p-InSe and n-SnS2-xSex (0 ≤ x ≤ 1) Layered Crystals and Heterojunctions on Their Basis [02042-1-02042-4]
42) Magneto-Strain Effect in Double-Layer Film Systems [02043-1-02043-3]
