A Novel Method for Determining the Void Fraction in Gas-Liquid Multi-Phase Systems Using a Dynamic Conductivity Probe

Conventional conductivity methods for measuring the void fraction in gas-liquid multiphase systems are typically affected by accuracy problems due to the presence of fluid flow and salinity.This study presents a novel approach for determining the void fraction based on a reciprocating dynamic conductivity probe used to measure the liquid film thickness under forced annular-flow conditions.The measurement system comprises a cyclone,a conductivity probe,a probe reciprocating device,and a data acquisition and processing system.This method ensures that the flow pattern is adjusted to a forced annular flow,thereby minimizing the influence of complex and variable gas-liquid flow patterns on the measurement results;Moreover,it determines the liquid film thickness solely according to circuit connectivity rather than specific conductivity values,thereby mitigating the impact of salinity.The reliability of the measurement system is demonstrated through laboratory experiments.The experimental results indicate that,in a range of gas phase superficial velocities 5–20 m/s and liquid phase superficial velocities 0.079–0.48 m/s,the maximum measurement deviation for the void fraction is 4.23%.

Dynamics of phase transformation of Cu-Ni-Si alloy with super-high strength and high conductivity during aging

The precipitation behaviors of the Cu-Ni-Si alloys during aging were studied by analyzing the variations of electric conductivity.The Avrami-equation of phase transformation kinetics and the Avrami-equation of electric conductivity during aging were established for Cu-Ni-Si alloys,on the basis of linear relationship between the electric conductivity and the volume fraction of precipitates,and the calculation results coincide well with the experiment ones.The transformation kinetics curves were established to characterize the aging process.The characteristics of precipitates in the supersaturated solid solution alloy aged at 723 K were established,and the results show that the precipitates areβ-Ni3Si andδ-Ni2Si phases.

Molecular dynamics simulation of decomposition and thermal conductivity of methane hydrate in porous media

The hydrate has characteristics of low thermal conductivity and temperature sensitivity. To further analysis the mechanism of thermal conductivity and provide method for the exploitation, transportation and utilization of hydrate, the effect of decomposition and thermal conductivity of methane hydrate in porous media has been studied by using the molecular dynamics simulation. In this study, the simulation is carried out under the condition of temperature 253.15 K-273.15 K and pressure 1 MPa. The results show that the thermal conductivity of methane hydrate increases with the increase of temperature and has a faster growth near freezing. With the addition of porous media, the thermal conductivity of the methane hydrate improves significantly. The methane hydrate-porous media system also has the characteristics of vitreous body.With the decrease of the pore size of the porous media, thermal conductivity of the system increases gradually at the same temperature. It can be ascertained that the porous media of different pore sizes have strengthened the role of the thermal conductivity of hydrates.

Molecular dynamics simulations of strain-dependent thermal conductivity of single-layer black phosphorus

Classical molecular dynamics(MD)simulations ae performed to investigate the effects of mechanical strain on the thermal conductivity of single-layer black phosphorus(SLBP)nanoribbons along different directions at room temperature.The results show that the tensile strain afects the thermal conductivity of nanoribbons by changing thephonon density of state(DOS)and mean free path(M FP).The thermal conductivity shows a sharp enhancement with the tensile strain applied along the armchai diection,while it increases slowly with the strain applied along the zigzag diection.This phenomenon cm be mainly explained by effects of the phonon DOS and MFP.The increasing strain along the armchai direction weakens DOS and strengthens MFP clearly.However,when it comes to the increasing strain along the zigzag deection'DOS enliances significantly while MFP decreases slightly.The findings explore the relationship between the tensile strain and the thermal conductivity reasonably and can provide a reliable method to estimate the MFP of black phosphorus.

Molecular dynamics simulation of thermal conductivity of silicone rubber

Silicone rubber is widely used as a kind of thermal interface material(TIM)in electronic devices.However few studies have been carried out on the thermal conductivity mechanism of silicone rubber.This paper investigates the thermal conductivity mechanism by non-equilibrium molecular dynamics(NEMD)in three aspects:chain length,morphology,and temperature.It is found that the effect of chain length on thermal conductivity varies with morphologies.In crystalline state where the chains are aligned,the thermal conductivity increases apparently with the length of the silicone-oxygen chain,the thermal conductivity of 79 nm-long crystalline silicone rubber could reach 1.49 W/(m·K).The thermal conductivity of amorphous silicone rubber is less affected by the chain length.The temperature dependence of thermal conductivity of silicone rubbers with different morphologies is trivial.The phonon density of states(DOS)is calculated and analyzed.The results indicate that crystalline silicone rubber with aligned orientation has more low frequency phonons,longer phonon MFP,and shorter conducting path,which contribute to a larger thermal conductivity.

Study of lattice thermal conductivity of alpha-zirconium by molecular dynamics simulation

The non-equilibrium molecular dynamics method is adapted to calculate the phonon thermal conductivity of alphazirconium. By exchanging velocities of atoms in different regions, the stable heat flux and the temperature gradient are established to calculate the thermal conductivity. The phonon thermal conductivities under different conditions, such as different heat exchange frequencies, different temperatures, different crystallographic orientations, and crossing grain boundary （GB）, are studied in detail with considering the finite size effect. It turns out that the phonon thermal conductivity decreases with the increase of temperature, and displays anisotropies along different crystallographic orientations. The phonon thermal conductivity in [0001] direction （close-packed plane） is largest, while the values in other two directions of [2īī0] and [01ī0] are relatively close. In the region near GB, there is a sharp temperature drop, and the phonon thermal conductivity is about one-tenth of that of the single crystal at 550 K, suggesting that the GB may act as a thermal barrier in the crystal.

Thermal conductivity of multi-walled carbon nanotubes:Molecular dynamics simulations

Heat conduction in single-walled carbon nanotubes （SWCNTs） has been investigated by using various methods, while less work has been focused on multi-walled carbon nanotubes （MWCNTs）. The thermal conductivities of the double-walled carbon nanotubes （DWCNTs） with two different temperature control methods are studied by using molecular dynamics （MD） simulations. One case is that the heat baths （HBs） are imposed only on the outer wall, while the other is that the HBs are imposed on both the two walls. The results show that the ratio of the thermal conductivity of DWCNTs in the first case to that in the second case is inversely proportional to the ratio of the cross-sectional area of the DWCNT to that of its outer wall. In order to interpret the results and explore the heat conduction mechanisms, the inter-wall thermal transport of DWCNTs is simulated. Analyses of the temperature profiles of a DWCNT and its two walls in the two cases and the inter- wall thermal resistance show that in the first case heat is almost transported only along the outer wall, while in the second case a DWCNT behaves like parallel heat transport channels in which heat is transported along each wall independently. This gives a good explanation of our results and presents the heat conduction mechanisms of MWCNTs.

Thermal conductivity of carbon nanoring linked graphene sheets:A molecular dynamics investigation

Improving the thermal conduction across graphene sheets is of great importance for their applications in thermal management. In this paper, thermal transport across a hybrid structure lbrmed by two graphene nanoribbons and carbon nanorings （CNRs） was investigated by molecular dynamics simulations. The effects of linker diameter, number, and height on thermal conductivity of the CNRs-graphene hybrid structures were studied respectively, and the CNRs were found effective in transmitting the phonon modes of GNRs. The hybrid structure with 2 linkers showed the highest thermal conductivity of 68.8 W·m^-1·K^-1. Our work presents important insight into fundamental principles governing the thermal conduction across CNR junctions and provides useful guideline for designing CNR-graphene structure with superior thermal conductivity.

Mechanical properties and thermal conductivity of pristine and functionalized carbon nanotube reinforced metallic glass composites:A molecular dynamics approach

This work uses the molecular dynamics approach to study the effects of functionalization of carbon nanotubes(CNTs)on the mechanical properties of Cu64Zr36 metallic glass(MG).Three types of functional groups,carboxylic,vinyl and ester were used.The effect of CNT volume fraction(Vf)and the number of functional groups attached to CNT,on the mechanical properties and thermal conductivity of CNT-MG composites was analysed using Biovia Materials Studio.At lower values of Vf(from 0 to 5%),the percentage increase in Young’s modulus was approximately 66%.As the value of Vf was increased further(from 5 to 12%),the rate of increase in Young’s modulus was reduced to 16%.The thermal conductivity was found to increase from 1.52 W/mK at Vf?0%to 5.88 W/mK at Vf?12%,thus giving an increase of approximately 286%.Functionalization of SWCNT reduced the thermal conductivity of the SWCNT-MG composites.

Molecular Dynamics Simulations for Anisotropic Thermal Conductivity of Borophene

The present work carries out molecular dynamics simulations to compute the thermal conductivity of the borophene nanoribbon and the borophene nanotube using the Müller-Plathe approach.We investigate the thermal conductivity of the armchair and zigzag borophenes,and show the strong anisotropic thermal conductivity property of borophene.We compare results of the borophene nanoribbon and the borophene nanotube,and find the thermal conductivity of the borophene is orientation dependent.The thermal conductivity of the borophene does not vary as changing the width of the borophene nanoribbon and the perimeter of the borophene nanotube.In addition,the thermal conductivity of the borophene is not sensitive to the applied strains and the background temperatures.

Molecular dynamics study on the dependence of thermal conductivity on size and strain in GaN nanofilms

The thermal conductivity of GaN nanofilm is simulated by using the molecular dynamics(MD)method to explore the influence of the nanofilm thickness and the pre-strain field under different temperatures.It is demonstrated that the thermal conductivity of GaN nanofilm increases with the increase of nanofilm thickness,while decreases with the increase of temperature.Meanwhile,the thermal conductivity of strained GaN nanofilms is weakened with increasing the tensile strain.The film thickness and environment temperature can affect the strain effect on the thermal conductivity of GaN nanofilms.In addition,the analysis of phonon properties of GaN nanofilm shows that the phonon dispersion and density of states of GaN nanofilms can be significantly modified by the film thickness and strain.The results in this work can provide the theoretical supports for regulating the thermal properties of GaN nanofilm through tailoring the geometric size and strain engineering.

Thermal Conductivity and Dynamic Viscosity of Highly Mineralized Water

Further development in the field of geothermal energy require reliable reference data on the thermophysical properties of geothermal waters,namely,on the thermal conductivity and viscosity of aqueous salt solutions at temperatures of 293–473 K,pressures Ps=100 MPa,and concentrations of 0–25 wt.%.Given the lack of data and models,especially for the dynamic viscosity of aqueous salt solutions at a pressure of above 40 MPa,generalized formulas are presented here,by which these gaps can be filled.The article presents a generalized formula for obtaining reliable data on the thermal conductivity of water aqueous solutions of salts for Ps=100 MPa,temperatures of 293–473 K and concentrations of 0%–25%(wt.%),as well as generalized formulas for the dynamic viscosity of water up to pressures of 500 MPa and aqueous solutions of salts for Ps=100 MPa,temperatures 333–473 K,and concentration 0%–25%.The obtained values agree with the experimental data within 1.6%.

Effect of isotope doping on phonon thermal conductivity of silicene nanoribbons: A molecular dynamics study

Silicene, a silicon analogue of graphene, has attracted increasing research attention in recent years because of its unique electrical and thermal conductivities. In this study, phonon thermal conductivity and its isotopic doping effect in silicene nanoribbons（SNRs） are investigated by using molecular dynamics simulations. The calculated thermal conductivities are approximately 32 W/mK and 35 W/mK for armchair-edged SNRs and zigzag-edged SNRs, respectively, which show anisotropic behaviors. Isotope doping induces mass disorder in the lattice, which results in increased phonon scattering, thus reducing the thermal conductivity. The phonon thermal conductivity of isotopic doped SNR is dependent on the concentration and arrangement pattern of dopants. A maximum reduction of about 15% is obtained at 50% randomly isotopic doping with ^（30）Si. In addition, ordered doping（i.e., isotope superlattice） leads to a much larger reduction in thermal conductivity than random doping for the same doping concentration. Particularly, the periodicity of the doping superlattice structure has a significant influence on the thermal conductivity of SNR. Phonon spectrum analysis is also used to qualitatively explain the mechanism of thermal conductivity change induced by isotopic doping. This study highlights the importance of isotopic doping in tuning the thermal properties of silicene, thus guiding defect engineering of the thermal properties of two-dimensional silicon materials.

A non-equilibrium molecular dynamics study of the thermal conductivity of uranium dioxide

The thermal conductivity of uranium dioxide in the temperature range of 300–2400 K was estimated by non-equilibrium molecular dynamics calculation using Fourier law.The Kawamura function was adopted as the interatomic potential function.The calculated thermal conductivities are found to be strongly dependent on the temperature of the simulation cube.The thermal conductivity simulation results are compared with the experiment results and agreed well with the experimental results when the temperature is above 600 K.The thermal conductivities scale effects are found to be existed in uranium dioxide nanometer thin film.The approximate mean free paths of phonons in different temperatures can be examined.

A dynamic database of solid-state electrolyte(DDSE)picturing all-solid-state batteries

All-solid-state batteries(ASSBs)are a class of safer and higher-energy-density materials compared to conventional devices,from which solid-state electrolytes(SSEs)are their essential components.To date,investigations to search for high ion-conducting solid-state electrolytes have attracted broad concern.However,obtaining SSEs with high ionic conductivity is challenging due to the complex structural information and the less-explored structure-performance relationship.To provide a solution to these challenges,developing a database containing typical SSEs from available experimental reports would be a new avenue to understand the structureperformance relationships and find out new design guidelines for reasonable SSEs.Herein,a dynamic experimental database containing>600 materials was developed in a wide range of temperatures(132.40–1261.60 K),including mono-and divalent cations(e.g.,Li^(+),Na^(+),K^(+),Ag^(+),Ca^(2+),Mg^(2+),and Zn^(2+))and various types of anions(e.g.,halide,hydride,sulfide,and oxide).Data-mining was conducted to explore the relationships among different variates(e.g.,transport ion,composition,activation energy,and conductivity).Overall,we expect that this database can provide essential guidelines for the design and development of high-performance SSEs in ASSB applications.This database is dynamically updated,which can be accessed via our open-source online system.

DYNAMIC BEHAVIORS OF CONDUCTIVE CIRCULAR PLATE IN TIME-VARYING MAGNETIC FIELDS

In this study, we proposed an analytical solution for eddy currents as well as electromagnetic forces of a conductive circular plate in a time varying magnetic field. Specifically, an analytical series solution for eddy currents in a circular plate subjected to an axisymmetrie time varying magnetic field has been proposed based on the T-method that has been widely used in the eddy current analysis of conductive and superconductive structures. Accordingly, the dynamic response, the dynamic instability and the magnetic damping of a circular plate in a transverse transient magnetic field as well as a stationary in-plane magnetic field have also been obtained. The analytical series solution proposed in this work as well as the subsequent numerical analysis not only confirmed the emergence of dynamic instability of a circular plate in a strong transverse magnetic field, but also demonstrated the existence of magneto-damping of a circular conductive plate in an in-plane magnetic field. The method developed in this paper provides a potential new possible way by which the analysis of the electromagnetic coupling problems of conductive structures can be simplified.

Dynamic response of a thermal transistor to time-varying signals

Thermal transistor,the thermal analog of an electronic transistor,is one of the most important thermal devices for microscopic-scale heat manipulating.It is a three-terminal device,and the heat current flowing through two terminals can be largely controlled by the temperature of the third one.Dynamic response plays an important role in the application of electric devices and also thermal devices,which represents the devices’ability to treat fast varying inputs.In this paper,we systematically study two typical dynamic responses of a thermal transistor,i.e.,the response to a step-function input(a switching process)and the response to a square-wave input.The role of the length L of the control segment is carefully studied.It is revealed that when L is increased,the performance of the thermal transistor worsens badly.Both the relaxation time for the former process and the cutoff frequency for the latter one follow the power-law dependence on L quite well,which agrees with our analytical expectation.However,the detailed power exponents deviate from the expected values noticeably.This implies the violation of the conventional assumptions that we adopt.

Simultaneously improving thermal conductivity,mechanical properties and metal fluidity through Cu alloying in Mg-Zn-based alloys

Mg-Zn-based alloys have been widely used in computer,communication,and consumer(3C)products due to excellent thermal conductivity.However,it is still a challenge to balance their mechanical performance and thermal conductivity.Here,we investigate microstructure,mechanical performance,thermal conductivity and metal fluidity of Mg-5Zn(wt.%)alloy after Cu alloying by experimental and simulation methods.First,Mg-5Zn alloy consist ofα-Mg matrix and interdendritic MgZn phases.As the Cu content increases,however,MgZn phases disappear but intragranular Mg_(2)Cu and interdendritic MgZnCu phases appear in Mg-5Zn-Cu alloys.Besides,the grain size ofα-Mg phase is refined and the volume fraction of MgZnCu phase increases as the Cu content increases.Second,Cu addition is found to improve thermal conductivity of Mg-5Zn alloy remarkably.Especially,Mg-5Zn-4Cu alloy exhibits the best thermal conductivity of 124 W/(m·K),which is mainly due to the significant reduction in both solid solubility of Zn in theα-Mg matrix and lattice distortion ofα-Mg matrix.Moreover,a stable crystal structure of MgZnCu phase also contributes to an increased thermal conductivity based on first principles and molecular dynamics simulations.Third,Cu addition simultaneously enhances strength and ductility of Mg-5Zn alloy.Tensile yield strength and elongation of Mg-5Zn-6Cu alloy reach 117 MPa and 18.0%,respectively,which is a combined result of refinement,solution,second phase,and dislocation strengthening.Finally,combined with a phase field simulation,we found that Cu addition enhances metal fluidity of Mg-5Zn alloy.On the one hand,Cu alloying not only delays dendrite growth but also prolongs solidification time.On the other hand,MgZnCu phase stabilizes the dendrite growth of theα-Mg phases by reducing energy consumption during solidification of liquid metal.This work demonstrates that Cu alloying is an ideal strategy for synergistically improving the thermal conductivity,mechanical performance and metal fluidity of Mg-based alloys.

Thermal conductivity of GeTe crystals based on machine learning potentials

GeTe has attracted extensive research interest for thermoelectric applications.In this paper,we first train a neuroevolution potential(NEP)based on a dataset constructed by ab initio molecular dynamics,with the Gaussian approximation potential(GAP)as a reference.The phonon density of states is then calculated by two machine learning potentials and compared with density functional theory results,with the GAP potential having higher accuracy.Next,the thermal conductivity of a GeTe crystal at 300 K is calculated by the equilibrium molecular dynamics method using both machine learning potentials,and both of them are in good agreement with the experimental results;however,the calculation speed when using the NEP potential is about 500 times faster than when using the GAP potential.Finally,the lattice thermal conductivity in the range of 300 K-600 K is calculated using the NEP potential.The lattice thermal conductivity decreases as the temperature increases due to the phonon anharmonic effect.This study provides a theoretical tool for the study of the thermal conductivity of GeTe.