Thermomechanical properties and equation of state for the γ-polymorph of hexahydro-1,3,5-trinitro-1,3,5-triazine

RSC Advances ◽  
2014 ◽  
Vol 4 (78) ◽  
pp. 41491-41499 ◽  
Author(s):  
Kartik Josyula ◽  
Rahul Rahul ◽  
Suvranu De
Keyword(s):  
Thermal Expansion ◽  
Elastic Modulus ◽  
Equation Of State ◽  
Thermomechanical Properties ◽  
Continuum Modeling ◽  
Tensor Equation ◽  
Material Information ◽  
Elastic Modulus Tensor

This work predicts the elastic modulus tensor, equation of state, and coefficients of thermal expansion at all stable thermodynamic states for γ-RDX. The work provides substantial material information for continuum modeling of RDX.

scholarly journals Изменение свойств алмаза из -=SUP=-13-=/SUP=-C при изотермическом сжатии

2019 ◽  
Vol 89 (6) ◽  
pp. 882
Author(s):  
М.Н. Магомедов
Keyword(s):  
Experimental Data ◽  
Heat Capacity ◽  
Thermal Expansion ◽  
Elastic Modulus ◽  
Equation Of State ◽  
Pair Potential ◽  
Atomic Interaction ◽  
Natural Isotopic Composition ◽  
Capacity Surface ◽  
Derivatives Of

AbstractThe parameters of atomic interaction pair potential for ^13C diamond have been determined from experimental data on the ratio of Raman frequencies for isotopically different diamonds. Based on these parameters, an equation of state and baric dependences of ^13C diamond lattice properties at 300 K have been calculated. Specifically, the Debye temperature; the first, second, and third Grüneisen parameters; elastic modulus; thermal expansion coefficient; heat capacity; surface energy; and pressure derivatives of these parameters along a 300 K isotherm have been determined. The results have been compared with available data for diamond having a natural isotopic composition, i.e., for ^12.01C.

scholarly journals Intrinsic Thermal Shock Behavior of Common Rutile Oxides

Physics ◽  
2019 ◽  
Vol 1 (2) ◽  
pp. 290-300 ◽  
Author(s):  
Denis Music ◽  
Bastian Stelzer
Keyword(s):  
Thermal Conductivity ◽  
Thermal Expansion ◽  
Elastic Modulus ◽  
Thermal Shock ◽  
Thermal Shock Resistance ◽  
Density Functional ◽  
Coefficient Of Thermal Expansion ◽  
Thermomechanical Properties ◽  
Linear Coefficient ◽  
Shock Resistance

Rutile TiO2, VO2, CrO2, MnO2, NbO2, RuO2, RhO2, TaO2, OsO2, IrO2, SnO2, PbO2, SiO2, and GeO2 (space group P42/mnm) were explored for thermal shock resistance applications using density functional theory in conjunction with acoustic phonon models. Four relevant thermomechanical properties were calculated, namely thermal conductivity, Poisson’s ratio, the linear coefficient of thermal expansion, and elastic modulus. The thermal conductivity exhibited a parabolic relationship with the linear coefficient of thermal expansion and the extremes were delineated by SiO2 (the smallest linear coefficient of thermal expansion and the largest thermal conductivity) and PbO2 (vice versa). It is suggested that stronger bonding in SiO2 than PbO2 is responsible for such behavior. This also gave rise to the largest elastic modulus of SiO2 in this group of rutile oxides. Finally, the intrinsic thermal shock resistance was the largest for SiO2, exceeding some of the competitive phases such as Al2O3 and nanolaminated Ti3SiC2.

scholarly journals INFLUENCE OF SIZE AND PRESSURE ON THE TEMPERATURE DEPENDENCIES OF THERMODYNAMIC PROPERTIES OF PLATINUM

2021 ◽  
pp. 465-474
Author(s):  
Сергей Петрович Крамынин
Keyword(s):  
Heat Capacity ◽  
Thermal Expansion ◽  
Elastic Modulus ◽  
Equation Of State ◽  
Surface Energy ◽  
Thermal Expansion Coefficient ◽  
Expansion Coefficient ◽  
Interatomic Interaction ◽  
Isobaric Heat Capacity ◽  
Temperature Dependences

Основываясь на параметрах парного потенциала межатомного взаимодействия Ми-Леннард-Джонса для Pt, и используя RP-модель нанокристалла, изучены температурные, барические и размерные зависимости следующих свойств: модуля упругости, коэффициента теплового расширения, изобарной теплоемкости и поверхностной энергии. Расчет уравнения состояния Pt показал хорошее согласие с экспериментом. Уравнение состояния было рассчитано вдоль пяти изотерм: T = 300, 1300, 1500, 1700, 1900 К. Впервые с единых позиций выполнены расчеты температурных зависимостей указанных свойств Pt в диапазоне от 0 K до 1500 K вдоль изобар 0 и 50 ГПа. Расчеты указанных зависимостей проведены как для макро-, так и для нанокристалла кубической формы из 306 атомов. Показано, что при изобарно-изотермическом уменьшении размера нанокристалла Pt происходит уменьшение значений модуля упругости и поверхностной энергии, а значения коэффициента теплового расширения и изобарной теплоемкости увеличиваются на исследуемом интервале температур. Based on the parameters of the pair interatomic interaction potential of the Mie-Lennard-Jones for Pt, and using the RP-model of the nanocrystal, the temperature, pressure and size dependencies of the following properties are studied: elastic modulus, thermal expansion coefficient, isobaric heat capacity, and surface energy. The calculation of the equation of state showed good agreement with experiment. The equation of state was calculated along five isotherms: T = 300, 1300,1500, 1700, 1900 K. For the first time, calculations of the temperature dependences of the above properties of Pt in the range from 0 to 1500 K along 0 and 50 GPa isobars were performed from a unified standpoint. Calculations of these dependencies were carried out for both macro- and cubic nanocrystals of 306 atoms. It is shown that with an isobaric-isothermal decrease in the nanocrystal size, the values of the elastic modulus and surface energy decrease, while the values of the thermal expansion coefficient and isobaric heat capacity increase over the investigated temperature range.

Algorithms for Density, Potential Temperature, Conservative Temperature, and the Freezing Temperature of Seawater

2006 ◽  
Vol 23 (12) ◽  
pp. 1709-1728 ◽  
Author(s):  
David R. Jackett ◽  
Trevor J. McDougall ◽  
Rainer Feistel ◽  
Daniel G. Wright ◽  
Stephen M. Griffies
Keyword(s):  
Thermal Expansion ◽  
Equation Of State ◽  
Thermodynamic Potential ◽  
Potential Temperature ◽  
Inverse Function ◽  
Freezing Temperature ◽  
Ocean Models ◽  
The Difference ◽  
New Equation ◽  
Density Equation

Abstract Algorithms are presented for density, potential temperature, conservative temperature, and the freezing temperature of seawater. The algorithms for potential temperature and density (in terms of potential temperature) are updates to routines recently published by McDougall et al., while the algorithms involving conservative temperature and the freezing temperatures of seawater are new. The McDougall et al. algorithms were based on the thermodynamic potential of Feistel and Hagen; the algorithms in this study are all based on the “new extended Gibbs thermodynamic potential of seawater” of Feistel. The algorithm for the computation of density in terms of salinity, pressure, and conservative temperature produces errors in density and in the corresponding thermal expansion coefficient of the same order as errors for the density equation using potential temperature, both being twice as accurate as the International Equation of State when compared with Feistel’s new equation of state. An inverse function relating potential temperature to conservative temperature is also provided. The difference between practical salinity and absolute salinity is discussed, and it is shown that the present practice of essentially ignoring the difference between these two different salinities is unlikely to cause significant errors in ocean models.

Measurement and interpretation of stress in copper films as a function of thermal history

1991 ◽  
Vol 6 (7) ◽  
pp. 1498-1501 ◽  
Author(s):  
Paul A. Flinn
Keyword(s):  
Mechanical Properties ◽  
Thermal Expansion ◽  
Elastic Modulus ◽  
Thermal History ◽  
Copper Films ◽  
Thermally Induced ◽  
Aluminum Films ◽  
Interconnection Material ◽  
Interconnect Systems

Since copper has some advantages relative to aluminum as an interconnection material, it is appropriate to investigate its mechanical properties in order to be prepared in advance for possible problems, such as the cracks and voids that have plagued aluminum interconnect systems. A model previously used to interpret the behavior of aluminum films proves to be, with minor modification, also applicable to copper. Although the thermal expansion of copper is closer to that of silicon and, consequently, the thermally induced strains are smaller, the much larger elastic modulus of copper results in substantially higher stresses. This has implications for the interaction of copper lines with dielectrics.

Hysteresis in thermal expansion of the quasi 1-dimensional conductor TaS3: Coupling of the underlying and the electronic crystals

2002 ◽  
Vol 12 (9) ◽  
pp. 287-287
Author(s):  
V. Ya. Pokrovskii ◽  
A. V. Golovnya ◽  
P. M. Shadrin
Keyword(s):  
Thermal Expansion ◽  
Elastic Modulus ◽  
Charge Density ◽  
Hysteresis Loop ◽  
Charge Density Waves ◽  
Small Sample ◽  
Temperature Hysteresis ◽  
Static Regime ◽  
Peierls Transition ◽  
Sample Elongation

An interferometer-based setup for measurements of length of needle-like samples is developed, and thermal expansion of o-TaS3 crystals is studied. Below the Peierls transition the temperature hysteresis of length L is observed, the width of the hysteresis loop $\delta L/L$ being up to $5\times 10^{-5}$. Curiously, $L(T)$ changes so that it is in front of its equilibrium value. The hysteresis loop couples with that of conductivity. With lowering T the charge-density waves' (CDW) elastic modulus grows and at 100 K becomes comparable with that of the lattice Yl. The results justify the assumption about the strain dependence of the CDW wave vector and clarify the nature of the anomalies of Yl which occur on the CDW depinning. In particular, Yl, is expected to show a strong drop in the static regime, if measured at sufficiently small sample elongation $(\delta L/L < 10^{ -5}) $.

scholarly journals Analysis of Equation of State for Carbon Nanotubes

2013 ◽  
Vol 2013 ◽  
pp. 1-5 ◽  
Author(s):  
Jeewan Chandra ◽  
Pooja Kapri Bhatt ◽  
Kuldeep Kholiya
Keyword(s):  
Experimental Data ◽  
Carbon Nanotubes ◽  
Thermal Expansion ◽  
Carbon Nanotube ◽  
Equation Of State ◽  
Compression Behavior ◽  
Nanotube Bundles ◽  
The Individual

Compression behavior of carbon nanotube bundles and individual carbon nanotubes within the bundle has been studied by using the Suzuki, Shanker, and usual Tait formulations. It is found that the Suzuki formulation is not capable of explaining the compression behavior of nanomaterials. Shanker formulation slightly improves the results obtained by the Suzuki formulation, but only usual Tait’s equation (UTE) of state gives results in agreement to the experimental data. The present study reveals that the product of bulk modules and the coefficient of volume thermal expansion remain constant for carbon nanotubes. It has also been found that the individual carbon nanotubes are less compressible than bundles of carbon nanotubes.

scholarly journals Effect of Cold Drawing on Mechanical Properties of Biodegradable Fibers

2017 ◽  
Vol 15 (1) ◽  
pp. 70-76 ◽  
Author(s):  
Francesco Paolo La Mantia ◽  
Manuela Ceraulo ◽  
Maria Chiara Mistretta ◽  
Marco Morreale
Keyword(s):  
Mechanical Properties ◽  
Elastic Modulus ◽  
Biodegradable Polymers ◽  
Biodegradable Polymer ◽  
Cold Drawing ◽  
Thermal Characterization ◽  
Systematic Investigation ◽  
Thermomechanical Properties ◽  
Polymer Systems ◽  
The Impact

Purpose Biodegradable polymers are currently gaining importance in several fields, because they allow mitigation of the impact on the environment related to disposal of traditional, nonbiodegradable polymers, as well as reducing the utilization of oil-based sources (when they also come from renewable resources). Fibers made of biodegradable polymers are of particular interest, though, it is not easy to obtain polymer fibers with suitable mechanical properties and to tailor these to the specific application. The main ways to tailor the mechanical properties of a given biodegradable polymer fiber are based on crystallinity and orientation control. However, crystallinity can only marginally be modified during processing, while orientation can be controlled, either during hot drawing or cold stretching. In this paper, a systematic investigation of the influence of cold stretching on the mechanical and thermomechanical properties of fibers prepared from different biodegradable polymer systems was carried out. Methods Rheological and thermal characterization helped in interpreting the orientation mechanisms, also on the basis of the molecular structure of the polymer systems. Results and conclusions It was found that cold drawing strongly improved the elastic modulus, tensile strength and thermomechanical resistance of the fibers, in comparison with hot-spun fibers. The elastic modulus showed higher increment rates in the biodegradable systems upon increasing the draw ratio.

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