Analysis of Data on Zero and Negative Thermal Expansion Coefficients of Materials

Fokin, L. R.

doi:10.1134/s0018151x20020054

Cited by 4 publications

(2 citation statements)

References 79 publications

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“…In this way, they get that starting from a certain value P x or (V /V 0 ) x , the function α p moves into the negative region. It is this result that was obtained in a number of articles (for example, in [38,39]). However, if approximation (15) is used, then this erroneous result will not be obtained.…”

Section: Thermal Expansion Coefficientsupporting

confidence: 56%

Study of the FCC-Au properties in a wide range of temperatures and pressures

Magomedov

2022

Physics of the Solid State

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The properties of the FCC-of the gold crystal were calculated using an analytical method (without computer modeling) in the temperature range: T=10-1337 K and pressures: P=0-110 GPa. The following properties were calculated: state equation, Debye temperature, first and second Gruneisen parameters, elastic modulus (BT), thermal expansion coefficient (αp), isochoric (Cv) and isobaric (Cp) heat capacity, specific surface energy. Derivatives of these properties also have been calculated both by temperature along three isobars and by pressure along three isotherms. The obtained results showed good agreement with the other authors results. It was shown that there is a certain temperature TB in which the product α_pBT does not change during the crystal compression. At T>TB, the α_pBT function increases, and at T<TB, it decreases with an increase in pressure. For FCC-Au has been received T_B=132 K. It was shown that the isotherms of the baric derivative of elastic modulus B'(P) intersect at the point: P>21.58 GPa, and B'(P)=7.43. At P<21.58 GPa, the C'v(P) function increases, and at P>21.58 GPa, it decreases with increasing temperature. It was shown that the isotherm of the baric derivative of the isochoric heat capacity C'v(P) has a minimum, and the isotherm of the baric derivative of the isobaric heat capacity C'_p(P) has both a minimum and a maximum. Based on the obtained dependencies, some approximations, which are used to calculate the properties of the crystal under high P-T-conditions, have been analyzed. Keywords: gold, pressure, elastic modulus, thermal expansion, heat capacity, Debye temperature, Gruneisen parameter, surface energy.

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Section: Thermal Expansion Coefficientsupporting

confidence: 56%

Study of the FCC-Au properties in a wide range of temperatures and pressures

Magomedov

2022

Physics of the Solid State

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“…A new concept of "average atomic volume" has been proposed to find new NTE open-framework materials [12] and two NTE compounds, AgB(CN) 4 and CuB(CN) 4 , have been discovered. Many anomalies of the properties of water at low temperatures and negative pressures or nitrogen at megabar pressures and high temperatures are related to zero and negative CTE [13].…”

Section: Introductionmentioning

confidence: 99%

Anomalous Thermomechanical Behaviour of Carbon Nanotube Bundle

Galiakhmetova¹,

Korznikova²

2021

Rev Adv Mater Tech

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The molecular dynamics method is used to calculate the dependence of pressure on temperature at a constant volume for a bundle of carbon nanotubes (CNTs) considered under plane strain conditions. A chain model with a significantly reduced number of degrees of freedom is used for modeling. The influence of the CNT diameter is analyzed. It was found that for some parameters of the model, the pressure in the CNT bundle can decrease with increasing temperature, which is equivalent to the effect of negative thermal expansion.

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About the gold properties and the approximations used to calculate high-pressure high-temperature properties

Magomedov

2022

Computational Condensed Matter

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Analysis of Data on Zero and Negative Thermal Expansion Coefficients of Materials

Cited by 4 publications

References 79 publications

Study of the FCC-Au properties in a wide range of temperatures and pressures

Study of the FCC-Au properties in a wide range of temperatures and pressures

Anomalous Thermomechanical Behaviour of Carbon Nanotube Bundle

About the gold properties and the approximations used to calculate high-pressure high-temperature properties

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