Polyacrylic acid(PAA)hydrogel composites with different hexagonal boron nitride(h-BN)fillers were synthesized and successfully 3D-printed while their thermal conductivity was systematically studied.With the content of...Polyacrylic acid(PAA)hydrogel composites with different hexagonal boron nitride(h-BN)fillers were synthesized and successfully 3D-printed while their thermal conductivity was systematically studied.With the content of h-BN increasing from 0.1 wt%to 0.3 wt%,the thermal conductivity of the 3D-printed composites has been improved.Moreover,through the shear force given by the 3D printer,a complete thermal conductivity path is obtained inside the hydrogel,which significantly improves the thermal conductivity of the h-BN hydrogel composites.The maximum thermal conductivity is 0.8808 W/(m·K),leading to a thermal conductive enhancement of 1000%,compared with the thermal conductivity of pure PAA hydrogels.This study shows that using h-BN fillers can effectively and significantly improve the thermal conductivity of hydrogelbased materials while its 3D-printable ability has been maintained.展开更多
The natural gas hydrate has been regarded as an important future green energy.Significant progress on the hydrate exploitation has been made,but some challenges are still remaining.In order to enhance the hydrate expl...The natural gas hydrate has been regarded as an important future green energy.Significant progress on the hydrate exploitation has been made,but some challenges are still remaining.In order to enhance the hydrate exploitation efficiency,a significant understanding of the effective thermal conductivity(ETC)of the hydrate-bearing sediment has become essential,since it directly controls the heat and mass transfer behaviors,and thereby determines the stability of hydrate reservoir and production rate.In this study,the effective thermal conductivities of various hydrate-bearing sediments were in-situ measured and studied.The impacts of temperature,particle size and type of sediment were investigated.The effective thermal conductivities of the quartz sand sediments before and after hydrate formation were in-situ measured.The results show the weak negative correlation of effective thermal conductivity of the quartz sand sediment on the temperature before and after the hydrate formation.The effective thermal conductivity of the hydrate-bearing sediment decreases with the increase of particle size of the sediment.The dominant effect of the type of porous medium on the characteristics of the effective thermal conductivity of hydrate-bearing sediment was highlighted.The results indicate that both the effective thermal conductivities of hydrate-bearing quartz sand sediment and hydrate-bearing silicon carbide sediment are weakly negatively correlated with temperature,but the effective thermal conductivity of hydrate-bearing clay sediment is weakly positively dependent on the temperature.In addition,the values of the effective thermal conductivities of various hydrate-bearing sediments are in the order of hydrate-bearing silicon carbide sediment>hydrate-bearing quartz sand sediment>hydrate-bearing clay sediment.These findings could suggest that the intrinsic thermal conductivity of porous medium could control the characteristics of effective thermal conductivity of hydrate-bearing sediment.展开更多
The thermoelectric properties of layered Mo_(2)AB_(2)(A=S,Se,Te;B=Cl,Br,I)materials are systematically investigated by first-principles approach.Soft transverse acoustic modes and direct Mo d–Mo d couplings give rise...The thermoelectric properties of layered Mo_(2)AB_(2)(A=S,Se,Te;B=Cl,Br,I)materials are systematically investigated by first-principles approach.Soft transverse acoustic modes and direct Mo d–Mo d couplings give rise to strong anharmonicities and low lattice thermal conductivities.The double anions with distinctly different electronegativities of Mo_(2)AB_(2)monolayers can reduce the correlation between electron transport and phonon scattering,and further benefit much to their good thermoelectric properties.Thermoelectric properties of these Mo_(2)AB_(2)monolayers exhibit obvious anisotropies due to the direction-dependent chemical bondings and transport properties.Furthermore,their thermoelectric properties strongly depend on carrier type(n-type or p-type),carrier concentration and temperature.It is found that n-type Mo_(2)AB_(2)monolayers can be excellent thermoelectric materials with high electric conductivity,σ,and figures of merit,ZT.Choosing the types of A and B anions of Mo_(2)AB_(2)is an effective strategy to optimize their thermoelectric performance.These results provide rigorous understanding on thermoelectric properties of double-anions compounds and important guidance for achieving high thermoelectric performance in multi-anion compounds.展开更多
Diamond is a wide-bandgap semiconductor with a variety of crystal configurations,and has the potential applications in the field of high-frequency,radiation-hardened,and high-power devices.There are several important ...Diamond is a wide-bandgap semiconductor with a variety of crystal configurations,and has the potential applications in the field of high-frequency,radiation-hardened,and high-power devices.There are several important polytypes of diamonds,such as cubic diamond,lonsdaleite,and nanotwinned diamond(NTD).The thermal conductivities of semiconductors in high-power devices at different temperatures should be calculated.However,there has been no reports about thermal conductivities of cubic diamond and its polytypes both efficiently and accurately based on molecular dynamics(MD).Here,using interatomic potential of neural networks can provide obvious advantages.For example,comparing with the use of density functional theory(DFT),the calculation time is reduced,while maintaining high accuracy in predicting the thermal conductivities of the above-mentioned three diamond polytypes.Based on the neuroevolution potential(NEP),the thermal conductivities of cubic diamond,lonsdaleite,and NTD at 300 K are respectively 2507.3 W·m^(-1)·K^(-1),1557.2 W·m^(-1)·K^(-1),and 985.6 W·m^(-1)·K^(-1),which are higher than the calculation results based on Tersoff-1989 potential(1508 W·m^(-1)·K^(-1),1178 W·m^(-1)·K^(-1),and 794 W·m^(-1)·K^(-1),respectively).The thermal conductivities of cubic diamond and lonsdaleite,obtained by using the NEP,are closer to the experimental data or DFT data than those from Tersoff-potential.The molecular dynamics simulations are performed by using NEP to calculate the phonon dispersions,in order to explain the possible reasons for discrepancies among the cubic diamond,lonsdaleite,and NTD.In this work,we propose a scheme to predict the thermal conductivity of cubic diamond,lonsdaleite,and NTD precisely and efficiently,and explain the differences in thermal conductivity among cubic diamond,lonsdaleite,and NTD.展开更多
In order to obtain the Al wires with good mechanical properties and high electrical conductivities, conductive wires of Al-0.16 Zr, Al-0.16 Sc, Al-0.12Sc-0.04Zr(mass fraction, %) and pure Al(99.996%) were produced...In order to obtain the Al wires with good mechanical properties and high electrical conductivities, conductive wires of Al-0.16 Zr, Al-0.16 Sc, Al-0.12Sc-0.04Zr(mass fraction, %) and pure Al(99.996%) were produced with the diameter of 9.5 mm by continuous rheo-extrusion technology, and the extruded materials were heat treated and analyzed. The results show that the separate additions of 0.16% Sc and 0.16% Zr to pure Al improve the ultimate tensile strength but reduce the electrical conductivity, and the similar trend is found in the Al-0.12Sc-0.04 Zr alloy. After the subsequent heat treatment, the wire with the optimum comprehensive properties is Al-0.12Sc-0.04 Zr alloy, of which the ultimate tensile strength and electrical conductivity reach 160 MPa and 64.03%(IACS), respectively.展开更多
Conductivities of Langmuir-Blodgett(LB) films of tetrabenzylthio- tetra-thiafulvalence-Ni(dmit)_2/stearic acid (SA)were described. This charge transfer complex was transferred with SA onto a glass plate coated with A1...Conductivities of Langmuir-Blodgett(LB) films of tetrabenzylthio- tetra-thiafulvalence-Ni(dmit)_2/stearic acid (SA)were described. This charge transfer complex was transferred with SA onto a glass plate coated with A1 electrodes. The relation of conductivities of LB films with molar ratio of SA was studied. The conductivities of LB films of TBT-TTF-Ni(dmit)_2/SA were measured under undoped and I_2 doped states. The maximum conductivity () of LB film was 40s/cm.展开更多
The nitrogen dimer as both a fundamental building unit in designing a new type of nitrides, and a material gene associated with high electrical and thermal conductivities is investigated by first principles calculatio...The nitrogen dimer as both a fundamental building unit in designing a new type of nitrides, and a material gene associated with high electrical and thermal conductivities is investigated by first principles calculations.The results indicate that the predicted Si N4 is structurally stable and reasonably energy-favored with a striking feature in its band structure that exhibits free electron-like energy dispersions. It possesses a high electrical conductivity(5.07 × 10^5 S/cm) and a high thermal conductivity(371 W/m·K) comparable to copper. The validity is tested by isostructural Al N4 and Si C4. It is demonstrated that the nitrogen dimers can supply a high density of delocalized electrons in this new type of nitrides.展开更多
By adopting a complex formulation of Ohm’s law, we arrive at combined equations connecting the conductivities of conductors. The horizontal resistivity is equal to the inverse of Drude’s conductivity δo( ), and the...By adopting a complex formulation of Ohm’s law, we arrive at combined equations connecting the conductivities of conductors. The horizontal resistivity is equal to the inverse of Drude’s conductivity δo( ), and the vertical resistivity (ρy) is equal to the Hall’s conductivity ( δH). At high magnetic field, the horizontal conductivity becomes exceedingly small, whereas the vertical conductivity equals to Hall’s conductivity. The Hall’s conductivity is shown to represent the maximal conductivity of conductors. Drude’s and Hall’s conductivities are related by δo =δHωC , where ωC is the cyclotron frequency, and is the relaxation time. The quantization of Hall’s conductivity is attributed to the fact that the magnetic flux enclosed by the conductor is carried by electrons each with h/e, where h is the Planck’s constant and e is the electron’s charge. The Drude’s conductance is found to be equal to Hall's conductance provided the magnetic flux enclosed by the conductor is a multiple of h/e.展开更多
The electrical conductivities are reported for various oxide ceramics and cermets at 1000°C.Adding metal can greatly enhance the electrical condnctivities of the oxide materials.The conductivity of the ceramic ad...The electrical conductivities are reported for various oxide ceramics and cermets at 1000°C.Adding metal can greatly enhance the electrical condnctivities of the oxide materials.The conductivity of the ceramic added with metal depends on:(1)the conductivity σ_o of the oxides;(2)the content of metal additives;(3)the dispersion of the metal phase among oxide phase.The conductivity of the metal added does not affect the con- ductivity of the metal-containing ceramic.Although the metal-containing ceramic has much higher conductivi- ty than oxide ceramic,the change rate of their conductivities with temperature is similar and is controlled by E_g of the oxide.展开更多
The present article provides supplementary information of previous works of analytic models for predicting conductivity enhancements of carbon nanotube composites. The models, though fairly simple, are able to take ac...The present article provides supplementary information of previous works of analytic models for predicting conductivity enhancements of carbon nanotube composites. The models, though fairly simple, are able to take account of the effects of conductivity anisotropy, nonstraightness, and aspect ratio of the CNT additives on the conductivity enhancement of the composite and to give predictions agreeing well with existing experimental data. The omitted detailed derivation of this model is demonstrated in the present article with a more systematical analysis, which may help with further development in this direction. Furthermore, the effects of various orientation distributions of CNTs are reported here for the first time. The information may be useful in design or fabrication technology of CNT composites for better or specified conductivities.展开更多
The effect of sodium dodecylbenzenesulfonate (SDBS), an anionic surfactant used widely in household products and industrial processes, on saturated hydraulic conductivities (Ksat) of an Anthrosol saturated with sodium...The effect of sodium dodecylbenzenesulfonate (SDBS), an anionic surfactant used widely in household products and industrial processes, on saturated hydraulic conductivities (Ksat) of an Anthrosol saturated with sodium (Na-soil) or calcium (Ca-soil) was analyzed in a laboratory experiment using the constant head method, and adsorption and dispersion experiments were also conducted to infer the possible mechanisms of Ksat fluctuations. The results showed that SDBS was more intensely adsorbed in the Ca-soil than in the Na-soil. With an increase in the SDBS concentration, the stability of the Na-soil suspensions decreased when the SDBS concentration was less than 1.2 mmol L-1 and then above this concentration, increased markedly, while the stability of the Ca-soil suspensions increased gradually at all SDBS concentrations studied. With an increase in the SDBS concentration, the Ksat of the Na-soil increased, which resulted mainly from the increase of water channels in the soil because of the coagulation of the soil particles, while the Ksat of Ca-soil decreased mainly on account of the clogging of partial water channels by precipitated Ca(DBS)2 and the fine soil particles generated.展开更多
Zr-substituted,Tm-doped SrCeO3(SrCe0.95-xZrxTm0.05O3-δ,0≤x≤0.40)were synthesized via citrate complexing method,and the membranes of SrCe0.95-xZrxTm0.05O3-δwere prepared by pressing followed by sintering. X-ray d...Zr-substituted,Tm-doped SrCeO3(SrCe0.95-xZrxTm0.05O3-δ,0≤x≤0.40)were synthesized via citrate complexing method,and the membranes of SrCe0.95-xZrxTm0.05O3-δwere prepared by pressing followed by sintering. X-ray diffraction(XRD)was used to characterize the phase structure of sintered membrane.The microstructure of the sintered membranes was studied by scanning electron microscopy(SEM).Protonic and electronic conductivities were measured under different circumstance.Hydrogen permeation through the SrCe0.75Zr0.20Tm0.05O3-δmembranes was carried out using gas permeation setup.Hydrogen permeation fluxes( 2H J)of the SrCe0.75Zr0.20Tm0.05O3-δ membrane reach up to 0.042 ml·min^ -1 ·cm^-2 at H 2 partial pressure of 0.4×10 ^5 Pa at 900°C.The hydrogen permea- tion fluxes( 2H J)obtained in this paper are slightly lower than that of SrCe0.95Tm0.05O3-δon the same orders,and Zr doping can increase chemical stability of the SrCe0.75Zr0.20Tm0.05O3-δmembranes.展开更多
Doped Ceria nano-powders were synthesized via a Pechini-type gel rout. The specific surface area of Ce_(0.8)Sm_(0.2)O_(1.9) powder measured by the multilayer BET method is 41 m2.g^(-1). The electrical conductivities o...Doped Ceria nano-powders were synthesized via a Pechini-type gel rout. The specific surface area of Ce_(0.8)Sm_(0.2)O_(1.9) powder measured by the multilayer BET method is 41 m2.g^(-1). The electrical conductivities of Sm_2O_(3)-CeO_2 systems were measured by the ac impedance technique in air at temperatures ranging from 513 to 900 ℃. Typical impedance spectra consist of two depressed semicircles at reduced measuring temperature and one depressed semicircle at elevated measuring temperature respectively, from which the grain interior and grain boundary conductivities were calculated. The relationship between the conductivities of Sm_2O_3 doped CeO_2 (SDC) electrolyte and measuring temperature obeys Arrhenius equation. The grain interior conductivity of SDC varies slightly with improving sintering temperature, while the total conductivity increases with enhancing sintering temperature. The effective index has a significant effect on the ionic conductivity of ceria doped based electrolyte. When the effective index improves, the ionic conductivity increases and the apparent conductance activation energy decreases.展开更多
For electronic packaging applications, Mo/Cu composites with volume fractions of 55%, 60% and 67% Mo were fabricated by the patented squeeze-casting technology. The microstructures and thermal and electric conduction ...For electronic packaging applications, Mo/Cu composites with volume fractions of 55%, 60% and 67% Mo were fabricated by the patented squeeze-casting technology. The microstructures and thermal and electric conduction properties of the Mo/Cu composites were investigated. The results show that Mo particles are homogeneous and uniform, and the Mo-Cu interfaces are clean and free from interfacial reaction products and amorphous layers; the densifications of the Mo/Cu composites are higher than 99%. The thermal conductivities of Mo/Cu composites range from 220 to 270W/(m·℃) and decrease with an increase in volume fraction of Mo content. The thermal conductivities agree well with the predicted values of theoretical models. The electric conductivities of Mo/Cu composites are in the range of 2228MS/m and decrease with the increase of Mo content. The achievement of higher thermal and electric conduction is attributed to the full densities and high purity Mo/Cu composites, which are attained through the cost-effective squeeze-casting technology processes.展开更多
Conductivities of lithium bis(oxalato)borate (LiBOB)-ethyl carbonate (EC)/diethyl carbonaten (DEC) electrolytes at 25℃ and 50℃ were studied. The electrolyte component with the highest conductivity at each te...Conductivities of lithium bis(oxalato)borate (LiBOB)-ethyl carbonate (EC)/diethyl carbonaten (DEC) electrolytes at 25℃ and 50℃ were studied. The electrolyte component with the highest conductivity at each temperature was obtained through changing the concentration of LiBOB and the ratio of EC/DEC. The mass triangle model was applied to calculate the conductivity of Li- BOB-EC/DEC ternary system at 25℃ and 50℃. The results show that the calculated and experimental results have reached a good agreement. Therefore, it is expected that the experimental work can be vastly reduced by introducing the mass triangle model.展开更多
To assess the effect of the dispersion of Al2O3 nanoparticles into A356 Al alloy on both the electrical and thermal conductivities, A356/Al2O3 metal matrix nanocomposites (MMNCs) were fabricated using a combination of...To assess the effect of the dispersion of Al2O3 nanoparticles into A356 Al alloy on both the electrical and thermal conductivities, A356/Al2O3 metal matrix nanocomposites (MMNCs) were fabricated using a combination of rheocasting and squeeze casting techniques. Two different sizes of Al2O3 nanoparticles were dispersed into the A356 Al alloy, typically, 60 and 200 nm with volume fractions up to 5 vol%. The effect of the nanoparticles size and volume fraction on the electrical and thermal conductivities was evaluated. The results revealed that the A356 monolithic alloy exhibited better electrical and thermal conductivities than the MMNCs. Increasing the nanoparticles size and/or the volume fraction reduces both the thermal and electrical conductivities of the MMNCs. The maximum reduction percent in the thermal and electrical conductivities, according to the A356 monolithic alloy, were about 47% and 38%, respectively. Such percentages were exhibited by A356/Al2O3MMNCs containing 5 vol% of nanoparticles having 60 and 200 nm, respectively.展开更多
The grain boundary conductivities of dry synthetic peridotite are conducted by virtue of YJ-3000t multi-anvil press and Solartron-1260 Impedance /Gain-phase Analyzer at conditions of 4.0 GPa, 1373 K and frequency rang...The grain boundary conductivities of dry synthetic peridotite are conducted by virtue of YJ-3000t multi-anvil press and Solartron-1260 Impedance /Gain-phase Analyzer at conditions of 4.0 GPa, 1373 K and frequency ranging from 10-2 to 106 Hz. The Fe2O3+Fe3O4,Ni+NiO,Fe+Fe3O4,Fe+FeO and Mo+MoO2 solid buffers are adopted to adjust展开更多
The densities, conductivities, and viscosities were measured for ternary solutions of N-hexyl,methylpyrrolidinium bromide([PP1,6]Br)- N-butyl,methylpyrrolidinium bromide([PP1,4]Br)-H2 O and its binary subsystems [PP1,...The densities, conductivities, and viscosities were measured for ternary solutions of N-hexyl,methylpyrrolidinium bromide([PP1,6]Br)- N-butyl,methylpyrrolidinium bromide([PP1,4]Br)-H2 O and its binary subsystems [PP1,6]Br-H2 O and [PP1,4]Br-H2 O at(298.15, 303.15, 308.15, and 313.15) K, respectively. The results were used to test the predictability of the simple equations established for the prediction of density, conductivity,and viscosity of the mixed electrolyte solutions. The results show that the examined simple equations can offer good predictions for density, conductivity, and viscosity of the mixed ionic liquid solutions in terms of the corresponding properties of its binary subsystems of equal ionic strength.展开更多
The effects of vacancy defects on the thermal conductivity of Ge thin films were investigated by employing molecular dynamics (MD) simula- tions and theoretical analysis based on the Boltzmann equation. Both the MD ...The effects of vacancy defects on the thermal conductivity of Ge thin films were investigated by employing molecular dynamics (MD) simula- tions and theoretical analysis based on the Boltzmann equation. Both the MD and theoretical results show that the lattice thermal conductivity dramatically decreases with the increasing of vacancy concentration at 400 and 500 K. In addition, the dependence of vacancy concentration on the thermal conductivity of Ge thin films becomes less sensitive as the temperature increases. Theoretical results also confirm that the major part of the lattice thermal conductivity reduction is associated with the point-defect scattering and phonon-phonon scattering processes.展开更多
Copper nanowires were synthesized by the wet chemical reduction method using copper sulfate as the copper precursor,aliphatic amines(methylamine,ethanediamine,1,2-propanediamine)as the inducing reagents,and hydrazine ...Copper nanowires were synthesized by the wet chemical reduction method using copper sulfate as the copper precursor,aliphatic amines(methylamine,ethanediamine,1,2-propanediamine)as the inducing reagents,and hydrazine hydrate as the reductant through the aging and reduction processes.The high-resolution transmission electron microscopy(HRTEM)images reveal that the copper nanowires were synthesized by coalescing extremely small-sized copper nanoparticles with the particle sizes of1–6 nm in copper complex micelles.A longer aging time period favored the coalescing of the copper nanoparticles to form thinner copper nanowires in the following reduction process.The coalescing extent of copper nanoparticles in copper nanowires was highly enhanced by ethanediamine and 1,2-propanediamine as compared with that by methylamine.The copper nanowire-filled polyester films had higher electrical conductivity than the copper nanoparticle-filled ones.展开更多
基金Funed by the National Key Research and Development Program of China(No.2021YFA0715700)the Open Fund of Hubei Longzhong Laboratory。
文摘Polyacrylic acid(PAA)hydrogel composites with different hexagonal boron nitride(h-BN)fillers were synthesized and successfully 3D-printed while their thermal conductivity was systematically studied.With the content of h-BN increasing from 0.1 wt%to 0.3 wt%,the thermal conductivity of the 3D-printed composites has been improved.Moreover,through the shear force given by the 3D printer,a complete thermal conductivity path is obtained inside the hydrogel,which significantly improves the thermal conductivity of the h-BN hydrogel composites.The maximum thermal conductivity is 0.8808 W/(m·K),leading to a thermal conductive enhancement of 1000%,compared with the thermal conductivity of pure PAA hydrogels.This study shows that using h-BN fillers can effectively and significantly improve the thermal conductivity of hydrogelbased materials while its 3D-printable ability has been maintained.
基金This work was supported by the National Natural Science Foundation of China(U19B2005,21808238,U20B6005,22127812)the National Key Research and Development Program of China(2021YFC2800902).
文摘The natural gas hydrate has been regarded as an important future green energy.Significant progress on the hydrate exploitation has been made,but some challenges are still remaining.In order to enhance the hydrate exploitation efficiency,a significant understanding of the effective thermal conductivity(ETC)of the hydrate-bearing sediment has become essential,since it directly controls the heat and mass transfer behaviors,and thereby determines the stability of hydrate reservoir and production rate.In this study,the effective thermal conductivities of various hydrate-bearing sediments were in-situ measured and studied.The impacts of temperature,particle size and type of sediment were investigated.The effective thermal conductivities of the quartz sand sediments before and after hydrate formation were in-situ measured.The results show the weak negative correlation of effective thermal conductivity of the quartz sand sediment on the temperature before and after the hydrate formation.The effective thermal conductivity of the hydrate-bearing sediment decreases with the increase of particle size of the sediment.The dominant effect of the type of porous medium on the characteristics of the effective thermal conductivity of hydrate-bearing sediment was highlighted.The results indicate that both the effective thermal conductivities of hydrate-bearing quartz sand sediment and hydrate-bearing silicon carbide sediment are weakly negatively correlated with temperature,but the effective thermal conductivity of hydrate-bearing clay sediment is weakly positively dependent on the temperature.In addition,the values of the effective thermal conductivities of various hydrate-bearing sediments are in the order of hydrate-bearing silicon carbide sediment>hydrate-bearing quartz sand sediment>hydrate-bearing clay sediment.These findings could suggest that the intrinsic thermal conductivity of porous medium could control the characteristics of effective thermal conductivity of hydrate-bearing sediment.
基金Project supported by the Science and Technology Program of Guangzhou City(Grant Nos.202102020389 and 202103030001)the Fund of Guangdong Provincial Key Laboratory of Information Photonics Technology(Grant No.2020B121201011)the National Natural Science Foundation of China(Grant Nos.11804058 and 12064027)。
文摘The thermoelectric properties of layered Mo_(2)AB_(2)(A=S,Se,Te;B=Cl,Br,I)materials are systematically investigated by first-principles approach.Soft transverse acoustic modes and direct Mo d–Mo d couplings give rise to strong anharmonicities and low lattice thermal conductivities.The double anions with distinctly different electronegativities of Mo_(2)AB_(2)monolayers can reduce the correlation between electron transport and phonon scattering,and further benefit much to their good thermoelectric properties.Thermoelectric properties of these Mo_(2)AB_(2)monolayers exhibit obvious anisotropies due to the direction-dependent chemical bondings and transport properties.Furthermore,their thermoelectric properties strongly depend on carrier type(n-type or p-type),carrier concentration and temperature.It is found that n-type Mo_(2)AB_(2)monolayers can be excellent thermoelectric materials with high electric conductivity,σ,and figures of merit,ZT.Choosing the types of A and B anions of Mo_(2)AB_(2)is an effective strategy to optimize their thermoelectric performance.These results provide rigorous understanding on thermoelectric properties of double-anions compounds and important guidance for achieving high thermoelectric performance in multi-anion compounds.
基金Project supported by the National Natural Science Foundation of China (Grant Nos.62004141 and 52202045)the Fundamental Research Funds for the Central Universities,China (Grant Nos.2042022kf1028 and 2042023kf0112)+2 种基金the Knowledge Innovation Program of Wuhan-Shuguang,China (Grant Nos.2023010201020243 and 2023010201020255)the Natural Science Foundation of Hubei Province,China (Grant No.2022CFB606)the Guangdong Basic and Applied Basic Research Fund:Guangdong–Shenzhen Joint Fund,China (Grant No.2020B1515120005)。
文摘Diamond is a wide-bandgap semiconductor with a variety of crystal configurations,and has the potential applications in the field of high-frequency,radiation-hardened,and high-power devices.There are several important polytypes of diamonds,such as cubic diamond,lonsdaleite,and nanotwinned diamond(NTD).The thermal conductivities of semiconductors in high-power devices at different temperatures should be calculated.However,there has been no reports about thermal conductivities of cubic diamond and its polytypes both efficiently and accurately based on molecular dynamics(MD).Here,using interatomic potential of neural networks can provide obvious advantages.For example,comparing with the use of density functional theory(DFT),the calculation time is reduced,while maintaining high accuracy in predicting the thermal conductivities of the above-mentioned three diamond polytypes.Based on the neuroevolution potential(NEP),the thermal conductivities of cubic diamond,lonsdaleite,and NTD at 300 K are respectively 2507.3 W·m^(-1)·K^(-1),1557.2 W·m^(-1)·K^(-1),and 985.6 W·m^(-1)·K^(-1),which are higher than the calculation results based on Tersoff-1989 potential(1508 W·m^(-1)·K^(-1),1178 W·m^(-1)·K^(-1),and 794 W·m^(-1)·K^(-1),respectively).The thermal conductivities of cubic diamond and lonsdaleite,obtained by using the NEP,are closer to the experimental data or DFT data than those from Tersoff-potential.The molecular dynamics simulations are performed by using NEP to calculate the phonon dispersions,in order to explain the possible reasons for discrepancies among the cubic diamond,lonsdaleite,and NTD.In this work,we propose a scheme to predict the thermal conductivity of cubic diamond,lonsdaleite,and NTD precisely and efficiently,and explain the differences in thermal conductivity among cubic diamond,lonsdaleite,and NTD.
基金Project(51222405)supported by the National Natural Science Foundation for Outstanding Young Scholars of ChinaProject(51034002)supported by the National Natural Science Foundation of ChinaProject(120502001)supported by the Fundamental Research Funds for the Central Universities of China
文摘In order to obtain the Al wires with good mechanical properties and high electrical conductivities, conductive wires of Al-0.16 Zr, Al-0.16 Sc, Al-0.12Sc-0.04Zr(mass fraction, %) and pure Al(99.996%) were produced with the diameter of 9.5 mm by continuous rheo-extrusion technology, and the extruded materials were heat treated and analyzed. The results show that the separate additions of 0.16% Sc and 0.16% Zr to pure Al improve the ultimate tensile strength but reduce the electrical conductivity, and the similar trend is found in the Al-0.12Sc-0.04 Zr alloy. After the subsequent heat treatment, the wire with the optimum comprehensive properties is Al-0.12Sc-0.04 Zr alloy, of which the ultimate tensile strength and electrical conductivity reach 160 MPa and 64.03%(IACS), respectively.
文摘Conductivities of Langmuir-Blodgett(LB) films of tetrabenzylthio- tetra-thiafulvalence-Ni(dmit)_2/stearic acid (SA)were described. This charge transfer complex was transferred with SA onto a glass plate coated with A1 electrodes. The relation of conductivities of LB films with molar ratio of SA was studied. The conductivities of LB films of TBT-TTF-Ni(dmit)_2/SA were measured under undoped and I_2 doped states. The maximum conductivity () of LB film was 40s/cm.
基金Supported by the National Natural Science Foundation of China under Grant Nos 51532010,91422303,51672306 and 51772322the National Key Research and Development Program of China under Grant No 2016YFA0300604+1 种基金the Beijing Municipal Science&Technology Commission under Grant No Z161100002116018the Strategic Priority Research Program of the Chinese Academy of Sciences under Grant No XDB07020100
文摘The nitrogen dimer as both a fundamental building unit in designing a new type of nitrides, and a material gene associated with high electrical and thermal conductivities is investigated by first principles calculations.The results indicate that the predicted Si N4 is structurally stable and reasonably energy-favored with a striking feature in its band structure that exhibits free electron-like energy dispersions. It possesses a high electrical conductivity(5.07 × 10^5 S/cm) and a high thermal conductivity(371 W/m·K) comparable to copper. The validity is tested by isostructural Al N4 and Si C4. It is demonstrated that the nitrogen dimers can supply a high density of delocalized electrons in this new type of nitrides.
文摘By adopting a complex formulation of Ohm’s law, we arrive at combined equations connecting the conductivities of conductors. The horizontal resistivity is equal to the inverse of Drude’s conductivity δo( ), and the vertical resistivity (ρy) is equal to the Hall’s conductivity ( δH). At high magnetic field, the horizontal conductivity becomes exceedingly small, whereas the vertical conductivity equals to Hall’s conductivity. The Hall’s conductivity is shown to represent the maximal conductivity of conductors. Drude’s and Hall’s conductivities are related by δo =δHωC , where ωC is the cyclotron frequency, and is the relaxation time. The quantization of Hall’s conductivity is attributed to the fact that the magnetic flux enclosed by the conductor is carried by electrons each with h/e, where h is the Planck’s constant and e is the electron’s charge. The Drude’s conductance is found to be equal to Hall's conductance provided the magnetic flux enclosed by the conductor is a multiple of h/e.
文摘The electrical conductivities are reported for various oxide ceramics and cermets at 1000°C.Adding metal can greatly enhance the electrical condnctivities of the oxide materials.The conductivity of the ceramic added with metal depends on:(1)the conductivity σ_o of the oxides;(2)the content of metal additives;(3)the dispersion of the metal phase among oxide phase.The conductivity of the metal added does not affect the con- ductivity of the metal-containing ceramic.Although the metal-containing ceramic has much higher conductivi- ty than oxide ceramic,the change rate of their conductivities with temperature is similar and is controlled by E_g of the oxide.
文摘The present article provides supplementary information of previous works of analytic models for predicting conductivity enhancements of carbon nanotube composites. The models, though fairly simple, are able to take account of the effects of conductivity anisotropy, nonstraightness, and aspect ratio of the CNT additives on the conductivity enhancement of the composite and to give predictions agreeing well with existing experimental data. The omitted detailed derivation of this model is demonstrated in the present article with a more systematical analysis, which may help with further development in this direction. Furthermore, the effects of various orientation distributions of CNTs are reported here for the first time. The information may be useful in design or fabrication technology of CNT composites for better or specified conductivities.
基金Project supported by the Science and Technology Committee, Shanghai Municipality (No.02DJ14046).
文摘The effect of sodium dodecylbenzenesulfonate (SDBS), an anionic surfactant used widely in household products and industrial processes, on saturated hydraulic conductivities (Ksat) of an Anthrosol saturated with sodium (Na-soil) or calcium (Ca-soil) was analyzed in a laboratory experiment using the constant head method, and adsorption and dispersion experiments were also conducted to infer the possible mechanisms of Ksat fluctuations. The results showed that SDBS was more intensely adsorbed in the Ca-soil than in the Na-soil. With an increase in the SDBS concentration, the stability of the Na-soil suspensions decreased when the SDBS concentration was less than 1.2 mmol L-1 and then above this concentration, increased markedly, while the stability of the Ca-soil suspensions increased gradually at all SDBS concentrations studied. With an increase in the SDBS concentration, the Ksat of the Na-soil increased, which resulted mainly from the increase of water channels in the soil because of the coagulation of the soil particles, while the Ksat of Ca-soil decreased mainly on account of the clogging of partial water channels by precipitated Ca(DBS)2 and the fine soil particles generated.
基金Supported by the Joint Funds of NSFC-Guangdong (U0834004), the National Natural Science Foundation of China (20976057) and the Natural Science Foundation of Guangdong Province (06025657).
文摘Zr-substituted,Tm-doped SrCeO3(SrCe0.95-xZrxTm0.05O3-δ,0≤x≤0.40)were synthesized via citrate complexing method,and the membranes of SrCe0.95-xZrxTm0.05O3-δwere prepared by pressing followed by sintering. X-ray diffraction(XRD)was used to characterize the phase structure of sintered membrane.The microstructure of the sintered membranes was studied by scanning electron microscopy(SEM).Protonic and electronic conductivities were measured under different circumstance.Hydrogen permeation through the SrCe0.75Zr0.20Tm0.05O3-δmembranes was carried out using gas permeation setup.Hydrogen permeation fluxes( 2H J)of the SrCe0.75Zr0.20Tm0.05O3-δ membrane reach up to 0.042 ml·min^ -1 ·cm^-2 at H 2 partial pressure of 0.4×10 ^5 Pa at 900°C.The hydrogen permea- tion fluxes( 2H J)obtained in this paper are slightly lower than that of SrCe0.95Tm0.05O3-δon the same orders,and Zr doping can increase chemical stability of the SrCe0.75Zr0.20Tm0.05O3-δmembranes.
文摘Doped Ceria nano-powders were synthesized via a Pechini-type gel rout. The specific surface area of Ce_(0.8)Sm_(0.2)O_(1.9) powder measured by the multilayer BET method is 41 m2.g^(-1). The electrical conductivities of Sm_2O_(3)-CeO_2 systems were measured by the ac impedance technique in air at temperatures ranging from 513 to 900 ℃. Typical impedance spectra consist of two depressed semicircles at reduced measuring temperature and one depressed semicircle at elevated measuring temperature respectively, from which the grain interior and grain boundary conductivities were calculated. The relationship between the conductivities of Sm_2O_3 doped CeO_2 (SDC) electrolyte and measuring temperature obeys Arrhenius equation. The grain interior conductivity of SDC varies slightly with improving sintering temperature, while the total conductivity increases with enhancing sintering temperature. The effective index has a significant effect on the ionic conductivity of ceria doped based electrolyte. When the effective index improves, the ionic conductivity increases and the apparent conductance activation energy decreases.
文摘For electronic packaging applications, Mo/Cu composites with volume fractions of 55%, 60% and 67% Mo were fabricated by the patented squeeze-casting technology. The microstructures and thermal and electric conduction properties of the Mo/Cu composites were investigated. The results show that Mo particles are homogeneous and uniform, and the Mo-Cu interfaces are clean and free from interfacial reaction products and amorphous layers; the densifications of the Mo/Cu composites are higher than 99%. The thermal conductivities of Mo/Cu composites range from 220 to 270W/(m·℃) and decrease with an increase in volume fraction of Mo content. The thermal conductivities agree well with the predicted values of theoretical models. The electric conductivities of Mo/Cu composites are in the range of 2228MS/m and decrease with the increase of Mo content. The achievement of higher thermal and electric conduction is attributed to the full densities and high purity Mo/Cu composites, which are attained through the cost-effective squeeze-casting technology processes.
基金supported by the National Natural Science Foundation of China(No.50472093)
文摘Conductivities of lithium bis(oxalato)borate (LiBOB)-ethyl carbonate (EC)/diethyl carbonaten (DEC) electrolytes at 25℃ and 50℃ were studied. The electrolyte component with the highest conductivity at each temperature was obtained through changing the concentration of LiBOB and the ratio of EC/DEC. The mass triangle model was applied to calculate the conductivity of Li- BOB-EC/DEC ternary system at 25℃ and 50℃. The results show that the calculated and experimental results have reached a good agreement. Therefore, it is expected that the experimental work can be vastly reduced by introducing the mass triangle model.
文摘To assess the effect of the dispersion of Al2O3 nanoparticles into A356 Al alloy on both the electrical and thermal conductivities, A356/Al2O3 metal matrix nanocomposites (MMNCs) were fabricated using a combination of rheocasting and squeeze casting techniques. Two different sizes of Al2O3 nanoparticles were dispersed into the A356 Al alloy, typically, 60 and 200 nm with volume fractions up to 5 vol%. The effect of the nanoparticles size and volume fraction on the electrical and thermal conductivities was evaluated. The results revealed that the A356 monolithic alloy exhibited better electrical and thermal conductivities than the MMNCs. Increasing the nanoparticles size and/or the volume fraction reduces both the thermal and electrical conductivities of the MMNCs. The maximum reduction percent in the thermal and electrical conductivities, according to the A356 monolithic alloy, were about 47% and 38%, respectively. Such percentages were exhibited by A356/Al2O3MMNCs containing 5 vol% of nanoparticles having 60 and 200 nm, respectively.
文摘The grain boundary conductivities of dry synthetic peridotite are conducted by virtue of YJ-3000t multi-anvil press and Solartron-1260 Impedance /Gain-phase Analyzer at conditions of 4.0 GPa, 1373 K and frequency ranging from 10-2 to 106 Hz. The Fe2O3+Fe3O4,Ni+NiO,Fe+Fe3O4,Fe+FeO and Mo+MoO2 solid buffers are adopted to adjust
基金Supported by the National Natural Science Foundation of China(21276271,21076224,21176248)the Science Foundation of China University of Petroleum,Beijing(qzdx-2011-01)
文摘The densities, conductivities, and viscosities were measured for ternary solutions of N-hexyl,methylpyrrolidinium bromide([PP1,6]Br)- N-butyl,methylpyrrolidinium bromide([PP1,4]Br)-H2 O and its binary subsystems [PP1,6]Br-H2 O and [PP1,4]Br-H2 O at(298.15, 303.15, 308.15, and 313.15) K, respectively. The results were used to test the predictability of the simple equations established for the prediction of density, conductivity,and viscosity of the mixed electrolyte solutions. The results show that the examined simple equations can offer good predictions for density, conductivity, and viscosity of the mixed ionic liquid solutions in terms of the corresponding properties of its binary subsystems of equal ionic strength.
基金supported by the Program for Changjiang Scholars and Innovative Research Team in the Universities of the Ministry of Education of China (No. IRT0520)
文摘The effects of vacancy defects on the thermal conductivity of Ge thin films were investigated by employing molecular dynamics (MD) simula- tions and theoretical analysis based on the Boltzmann equation. Both the MD and theoretical results show that the lattice thermal conductivity dramatically decreases with the increasing of vacancy concentration at 400 and 500 K. In addition, the dependence of vacancy concentration on the thermal conductivity of Ge thin films becomes less sensitive as the temperature increases. Theoretical results also confirm that the major part of the lattice thermal conductivity reduction is associated with the point-defect scattering and phonon-phonon scattering processes.
基金financially supported by the fund from the Jiangsu Science and Technology Department,China(FZ20180919)。
文摘Copper nanowires were synthesized by the wet chemical reduction method using copper sulfate as the copper precursor,aliphatic amines(methylamine,ethanediamine,1,2-propanediamine)as the inducing reagents,and hydrazine hydrate as the reductant through the aging and reduction processes.The high-resolution transmission electron microscopy(HRTEM)images reveal that the copper nanowires were synthesized by coalescing extremely small-sized copper nanoparticles with the particle sizes of1–6 nm in copper complex micelles.A longer aging time period favored the coalescing of the copper nanoparticles to form thinner copper nanowires in the following reduction process.The coalescing extent of copper nanoparticles in copper nanowires was highly enhanced by ethanediamine and 1,2-propanediamine as compared with that by methylamine.The copper nanowire-filled polyester films had higher electrical conductivity than the copper nanoparticle-filled ones.