scholarly journals TEMPERATURE DEPENDENCE OF HEAT CAPACITY OF ALUMINIUM, COPPER, SILICON, MAGNESIUM AND ZINC AND COMPARISON WITH DEBYE THEORY

InterConf ◽  
2021 ◽  
pp. 307-314
Author(s):  
Z. Nizomov ◽  
R. Saidzoda (Saidov) ◽  
B. Gulov ◽  
J. Sharipov
Keyword(s):  
Heat Capacity ◽  
Thermal Expansion ◽  
Crystal Lattice ◽  
Temperature Dependence ◽  
Debye Temperature ◽  
Electronic Contribution ◽  
Debye Theory ◽  
Aluminium Copper ◽  
Main Components ◽  
Lattice Component

The results of comparison of heat capacity of aluminum, copper, silicon, magnesium and zinc with Debye's theory depending on temperature are given in the paper. It was revealed that the main components of the heat capacity of metals are the lattice component; is a component due to thermal expansion and is an electronic contribution. It is proposed that when creating the theory of heat capacity, it is necessary to take into account the anharmonicity of the oscillations of atoms in the nodes of the crystal lattice and the change in Debye temperature.

Debye temperature, thermal expansion, and heat capacity of TcC up to 100GPa

2015 ◽  
Vol 61 ◽  
pp. 58-63 ◽  
Author(s):  
T. Song ◽  
Q. Ma ◽  
J.H. Tian ◽  
X.B. Liu ◽  
Y.H. Ouyang ◽  
...  
Keyword(s):  
Heat Capacity ◽  
Thermal Expansion ◽  
Debye Temperature

scholarly journals Temperature dependence of decagonal quasicrystals heat capacity

2018 ◽  
Vol 26 (1) ◽  
pp. 35-38
Author(s):  
O. V. Sukhova ◽  
Yu. V. Syrovatko
Keyword(s):  
Heat Capacity ◽  
Temperature Dependence ◽  
Debye Temperature ◽  
Temperature Effects ◽  
Debye Model ◽  
Decagonal Quasicrystal ◽  
Excessive Heat ◽  
Ni Alloys ◽  
Decagonal Quasicrystals

The heat capacity of decagonal quasicrystals of the Al–Co–Cu or Al–Co–Ni alloys was calculated at the temperatures of 600, 700, and 900 K in this work. The expression for the heat capacity of the quasicrystals was obtained based on the Debye model. For the quasicrystals, the linear “excessive” heat capacity is observed in the range of temperatures between 400 to 600 К which means the deviation from the 3R Dulong-Petit value. The heat capacity at a temperature of 900 К is about 28.4 J/mol К which is higher than the Dulong-Petit value (~ 25 J/mol К). The “excessive” heat capacity relates to the peculiarities in the decagonal quasicrystal anisotropy. These crystals are quasiperiodic in the x and y directions, and periodic in the z direction. As a result, there is a difference in the dispersive laws in the different directions. The Debye temperature values have essential influence on the temperature dependencies of the heat capacity of the decagonal quasicrystals. Thus, the higher the Debye temperature and the larger “excessive” heat capacity, the more stable are considered the quasicrystals exposed to the temperature effects.

scholarly journals First-principles investigation of mechanical and thermodynamic properties of nickel silicides at finite temperature -=SUP=-*-=/SUP=-

2018 ◽  
Vol 60 (5) ◽  
pp. 964
Author(s):  
Zhiqin Wen ◽  
Yuhong Zhao ◽  
Hua Hou ◽  
Liwen Chen
Keyword(s):  
Heat Capacity ◽  
Thermal Expansion ◽  
High Temperature ◽  
Thermodynamic Properties ◽  
Thermal Expansion Coefficient ◽  
Debye Temperature ◽  
Expansion Coefficient ◽  
Finite Temperature ◽  
Volumetric Thermal Expansion Coefficient ◽  
Nickel Silicides

AbstractFirst-principles calculations are performed to investigate lattice parameters, elastic constants and 3D directional Young’s modulus E of nickel silicides (i.e., β-Ni_3Si, δ-Ni_2Si, θ-Ni_2Si, ε-NiSi, and θ-Ni_2Si), and thermodynamic properties, such as the Debye temperature, heat capacity, volumetric thermal expansion coefficient, at finite temperature are also explored in combination with the quasi-harmonic Debye model. The calculated results are in a good agreement with available experimental and theoretical values. The five compounds demonstrate elastic anisotropy. The dependence on the direction of stiffness is the greatest for δ-Ni_2Si and θ-Ni_2Si, when the stress is applied, while that for β-Ni_3Si is minimal. The bulk modulus B reduces with increasing temperature, implying that the resistance to volume deformation will weaken with temperature, and the capacity gradually descend for the compound sequence of β-Ni_3Si > δ-Ni_2Si > θ-Ni_2Si > ε-NiSi > θ-Ni_2Si. The temperature dependence of the Debye temperature ΘD is related to the change of lattice parameters, and ΘD gradually decreases for the compound sequence of ε-NiSi > β-Ni_3Si > δ-Ni_2Si > θ-Ni_2Si > θ-Ni_2Si. The volumetric thermal expansion coefficient αV, isochoric heat capacity and isobaric heat capacity C _ p of nickel silicides are proportional to T ^3 at low temperature, subsequently, αV and C _ p show modest linear change at high temperature, whereas C _v obeys the Dulong-Petit limit. In addition, β-Ni_3Si has the largest capability to store or release heat at high temperature. From the perspective of solid state physics, the thermodynamic properties at finite temperature can be used to guide further experimental works and design of novel nickel–silicon alloys.

Comparison of Two Computing Method on Thermal Conductivity of Aluminum Nitride

2014 ◽  
Vol 989-994 ◽  
pp. 3509-3512 ◽  
Author(s):  
Xue Mei Cai ◽  
Qian Neng Zhou ◽  
Jing Mei Wang
Keyword(s):  
Thermal Conductivity ◽  
Heat Capacity ◽  
Aluminum Nitride ◽  
Debye Temperature ◽  
Density Functional ◽  
Harmonic Approximation ◽  
Relative Difference ◽  
Debye Theory ◽  
Debye Temperatures ◽  
Density Functional Perturbation Theory

Thermal conductivity of aluminum nitride (AlN) has been calculated by density functional perturbation theory (DFPT) and quasi-harmonic approximation (QHA) combined with Debye theory in the paper. Debye temperature is evaluated respectively from sound velocity and heat capacity. From 300K up to 1000K, the predicted thermal properties in pure crystal AlN based on these two Debye temperatures are compared with each other and the latter shows excellent agreement with Slack’s experimental data. The relative difference based on Debye temperature from heat capacity is within the limits of ±5.5%. This agreement with experiment is due to the Debye temperature derived from capacity contains the temperature effect while describe the three phonon process.

ABOUT HEAT CAPACITY OF TITANIUM CARBIDE TiCx

2019 ◽  
pp. 56-66
Author(s):  
I. Khidirov ◽  
V. V. Getmanskiy ◽  
A. S. Parpiev ◽  
Sh. A. Makhmudov
Keyword(s):  
Heat Capacity ◽  
High Temperature ◽  
Titanium Carbide ◽  
Temperature Dependence ◽  
Carbon Concentration ◽  
Room Temperature ◽  
Thermodynamic Characteristics ◽  
Liquid Nitrogen Temperature ◽  
Analysis Data ◽  
Thermal Excitation

This work relates to the field of thermophysical parameters of refractory interstitial alloys. The isochoric heat capacity of cubic titanium carbide TiCx has been calculated within the Debye approximation in the carbon concentration  range x = 0.70–0.97 at room temperature (300 K) and at liquid nitrogen temperature (80 K) through the Debye temperature established on the basis of neutron diffraction analysis data. It has been found out that at room temperature with decrease of carbon concentration the heat capacity significantly increases from 29.40 J/mol·K to 34.20 J/mol·K, and at T = 80 K – from 3.08 J/mol·K to 8.20 J/mol·K. The work analyzes the literature data and gives the results of the evaluation of the high-temperature dependence of the heat capacity СV of the cubic titanium carbide TiC0.97 based on the data of neutron structural analysis. It has been proposed to amend in the Neumann–Kopp formula to describe the high-temperature dependence of the titanium carbide heat capacity. After the amendment, the Neumann–Kopp formula describes the results of well-known experiments on the high-temperature dependence of the heat capacity of the titanium carbide TiCx. The proposed formula takes into account the degree of thermal excitation (a quantized number) that increases in steps with increasing temperature.The results allow us to predict the thermodynamic characteristics of titanium carbide in the temperature range of 300–3000 K and can be useful for materials scientists.

On Temperature Dependence of Excess Gibbs Energy

1999 ◽  
Vol 64 (7) ◽  
pp. 1093-1099 ◽  
Author(s):  
Ivona Malijevská ◽  
Anatol Malijevský
Keyword(s):  
Heat Capacity ◽  
Gibbs Energy ◽  
Temperature Dependence ◽  
Excess Gibbs Energy ◽  
Excess Enthalpy ◽  
Excess Heat Capacity ◽  
Wilson Equation ◽  
Excess Heat ◽  
Energy Excess ◽  
Wilson And Nrtl Equations

Temperature dependence of GE is discussed for three widely used equations linear and nonlinear in parameters. It is shown that the Wilson equation predicts always positive excess heat capacity regardless of values of its parameters. Several temperature modifications of the Redlich-Kister, Wilson and NRTL equations are discussed with respect to the sign of the excess Gibbs energy, excess enthalpy and excess heat capacity.

A neutron powder diffraction determination of the thermal expansion tensor of crocoite (PbCrO4) between 60 K and 290 K

1996 ◽  
Vol 60 (403) ◽  
pp. 963-972 ◽  
Author(s):  
Kevin S. Knight
Keyword(s):  
Thermal Expansion ◽  
Temperature Dependence ◽  
Powder Diffraction ◽  
Maximum Expansion ◽  
Lattice Constants ◽  
Thermal Expansion Tensor ◽  
Diffraction Determination ◽  
Line Passing ◽  
Neutron Time

AbstractThe thermal expansion tensor of crocoite has been determined from high-resolution neutron time-of-flight powder diffraction data. The temperature dependence of the lattice constants between 4.5 K and 290 K have been fitted to a quasi-harmonic Einstein model, and the temperature dependence of the thermal expansion tensor has been calculated for 60 K ≤ T ≤ 290 K. The magnitudes of the principal expansivities and their orientation exhibit saturation behaviour for temperatures above 300 K. The predicted saturated expansion coefficients are α11 = 33.1(1) × 10−6K−1, α22 = 15.72(3) × 10−6K−1, α33 = 3.36(1) × 10−6K−1, with α22 parallel to b and α11 lying at an angle of −37.86(5)° to c for the P21/n setting of the crystal structure. The direction of maximum expansion is approximately parallel to both and the least-squares line passing through the projection of the chromium atoms on (010). The direction of minimum expansion lies approximately parallel to [101]. No evidence was found for either a structural or magnetic phase transition between 4.5 K and 300 K.

Sign in / Sign up

Export Citation Format

Share Document