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Influence of anisotropy on the electrical conductivity and diffusion coefficient of dry K-feldspar: Implications of the mechanism of conduction
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作者 代立东 胡海英 +2 位作者 李和平 孙文清 蒋建军 《Chinese Physics B》 SCIE EI CAS CSCD 2018年第2期630-639,共10页
The electrical conductivities of single-crystal K-feldspar along three different crystallographic directions are investigated by the Solartron-1260 Impedance/Gain-phase analyzer at 873 K–1223 K and 1.0 GPa–3.0 GPa i... The electrical conductivities of single-crystal K-feldspar along three different crystallographic directions are investigated by the Solartron-1260 Impedance/Gain-phase analyzer at 873 K–1223 K and 1.0 GPa–3.0 GPa in a frequency range of 10-1 Hz–106 Hz. The measured electrical conductivity along the ⊥ [001] axis direction decreases with increasing pressure, and the activation energy and activation volume of charge carriers are determined to be 1.04 ± 0.06 e V and 2.51 ± 0.19 cm~3/mole, respectively. The electrical conductivity of K-feldspar is highly anisotropic, and its value along the⊥ [001] axis is approximately three times higher than that along the ⊥ [100] axis. At 2.0 GPa, the diffusion coefficient of ionic potassium is obtained from the electrical conductivity data using the Nernst–Einstein equation. The measured electrical conductivity and calculated diffusion coefficient of potassium suggest that the main conduction mechanism is of ionic conduction, therefore the dominant charge carrier is transferred between normal lattice potassium positions and adjacent interstitial sites along the thermally activated electric field. 展开更多
关键词 electrical conductivity and diffusion coefficient K-feldspar anisotropy conduction mechanism
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Thermal properties of open-celled aluminum foams prepared by two infiltration casting methods 被引量:2
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作者 王辉 周向阳 +2 位作者 龙波 文康 杨焘 《Journal of Central South University》 SCIE EI CAS 2014年第7期2567-2571,共5页
Contrastive research was carried out to study the thermal properties of open-celled aluminum foams prepared by counter-gravity infiltration casting system and the traditional process respectively.The experimental resu... Contrastive research was carried out to study the thermal properties of open-celled aluminum foams prepared by counter-gravity infiltration casting system and the traditional process respectively.The experimental results show that the thermal conductivity coefficients of aluminum foams prepared by two different infiltration methods have similar increasing trend with the increase of particle size;along with the reducing porosity,the thermal conductivity coefficients will be enhanced oppositely.However,with the same particle size,the open-celled aluminum foam prepared by the former method has a higher thermal conductivity coefficient obviously.It is largely because that the sample prepared by counter-gravity infiltration casting has a lower void content and better dense crystallization of metal-matrix after the constant pressure process. 展开更多
关键词 open-celled aluminum foams counter-gravity infiltration casting thermal conductivity coefficient particle size POROSITY
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Domain-based noise removal method using fourth-order partial differential equation
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作者 曾维理 谭湘花 路小波 《Journal of Southeast University(English Edition)》 EI CAS 2011年第2期154-158,共5页
Due to the fact that the fourth-order partial differential equation (PDE) for noise removal can provide a good trade-off between noise removal and edge preservation and avoid blocky effects often caused by the secon... Due to the fact that the fourth-order partial differential equation (PDE) for noise removal can provide a good trade-off between noise removal and edge preservation and avoid blocky effects often caused by the second-order PDE, a domain-based fourth-order PDE method for noise removal is proposed. First, the proposed method segments the image domain into two domains, a speckle domain and a non-speckle domain, based on the statistical properties of isolated speckles in the Laplacian domain. Then, depending on the domain type, different conductance coefficients in the proposed fourth-order PDE are adopted. Moreover, the frequency approach is used to determine the optimum iteration stopping time. Compared with the existing fourth-order PDEs, the proposed fourth-order PDE can remove isolated speckles and keeps the edges from being blurred. Experimental results show the effectiveness of the proposed method. 展开更多
关键词 fourth-order partial differential equation conductance coefficient speckle domain image denoising
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Effects of wollastonite nanofibers on fluid flow in medium-density fiberboard
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作者 Hamid R.Taghiyari Younes Sarvari Samadi 《Journal of Forestry Research》 SCIE CAS CSCD 2016年第1期209-217,共9页
We studied the effect of wollastonite nanofibers on fluid flow in medium-density fiberboard (MDF). Nanowollastonite (NW) was applied in MDF at 10 %, based on the dry weight of wood fibers. We also tested chicken f... We studied the effect of wollastonite nanofibers on fluid flow in medium-density fiberboard (MDF). Nanowollastonite (NW) was applied in MDF at 10 %, based on the dry weight of wood fibers. We also tested chicken feathers as an additive to the matrix at 5 and 10 % by weight. The weight of feathers was reduced from the wood fibers to keep the density of the panels constant (0.66 g cm-3). Wollastonite nanofibers acted as filler in the matrix and significantly decreased gas and liquid perme- ability. Higher thermal conductivity of the N-W-treated MDF-mats resulted in a better cure of resin, and conse- quently more integrity in the composite-matrix and lower permeability. The water-repellant property of wollastonite also contributed to the decrease in liquid permeability. Feathers reduced gas and liquid permeability due to the hydrophobic nature of keratin, as well as its formation as a physical barrier towards passing of fluids. Ten percent feather content proved too high and some checks and cracks occurred in the core of the panels after hot-pressing. Panels with 5 %-feather content resulted in both lower fluid flow and adequate physical integrity in the core sec- tion of the MDF-matrix. 展开更多
关键词 Chicken feather Composite board Mineralmaterials Thermal conductivity coefficient Wollastonitenanofibers Wood fiber
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On the thermo-mechanical properties of unsaturated soils
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作者 Yingfa Lu Xinxing Wu Yujun Cui 《Journal of Rock Mechanics and Geotechnical Engineering》 SCIE 2010年第2期143-148,共6页
The establishment of energy balance equation is necessary to study the thermo-mechanical properties of unsaturated soils.To solve this equation,the determination of two fundamental parameters as volumetric specific pa... The establishment of energy balance equation is necessary to study the thermo-mechanical properties of unsaturated soils.To solve this equation,the determination of two fundamental parameters as volumetric specific parameter and thermal conductivity coefficient is essential.In this paper,the effective thermal conductivity coefficient of dry soil grain is analyzed for soils with different compositions,and the thermo-mechanical properties of porous media with water and gas are studied by considering the soil water retention curve(SWRC).Different methods,i.e.volumetric average method,self-consistent method,Hashin-Strikman method,are employed to calculate thermal conductivity coefficients,and a new method is proposed to determine the thermo-mechanical parameters.Comparison of the results obtained by different methods shows that the proposed method is in a good agreement with the experimental results and is suitable for describing the main properties of the thermo-mechanical behaviors of soils.The relationship between the SWRC and the seepage curve is further studied by the natural proportional rule.The characteristics of the SWRC,its differential coefficient and the seepage curve,are investigated by considering the physico-mechanical mechanism;the limit scopes of the indices of the SWRC and the seepage curve are also given. 展开更多
关键词 unsaturated soil soil water retention curve(SWRC) seepage curve thermal conductivity coefficient comparative analysis
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Modeling of Water Vapor Condensation by Using Computer Methodology
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作者 Jan Skramlik Miloslav Novotny Karel Suhajda 《Journal of Civil Engineering and Architecture》 2013年第6期704-711,共8页
The excessive moisture has an adverse effect on the building materials structure. Most standard construction materials are characterized by porous structure, resulting in the ability to absorb water in liquid and gase... The excessive moisture has an adverse effect on the building materials structure. Most standard construction materials are characterized by porous structure, resulting in the ability to absorb water in liquid and gaseous phases in the inner pores. Under certain conditions, water fills the pores within the structure of building material and then moves back to its surrounding. Many technical studies have shown that monitoring the moisture transport is mainly based on experimental methods. This work is based on models of transport of moisture in building physics, i.e., the description of the moisture behaviour of building materials based on physical laws models (KRISCHER, KIESSL). The aim of this work is to obtain the parameters of distribution of moisture for calculation capillary conductivity coefficient for practical using by means of non-destructive method. The authors have now developed all the software required to perform a boundary element analysis of problems in potential flow. The examples which the authors can analyse will, however, be restricted to homogenous domains. 展开更多
关键词 Capillary conductivity coefficient moisture transfer EMWR (electromagnetic microwave radiation) diffusion.
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The Moisturein Capillaries of Building Materials
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作者 Jan Skramlik Miloslav Novotny Karel Suhajda 《Journal of Civil Engineering and Architecture》 2012年第11期1536-1543,共8页
The behavior of building materials in constructions of civil structures is influenced by the surrounding moisture and it is a crucial for intensively examined field of the construction physics. Most standard building ... The behavior of building materials in constructions of civil structures is influenced by the surrounding moisture and it is a crucial for intensively examined field of the construction physics. Most standard building materials are characterized by a porous structure, which results in the ability to receive water in a liquid as well as gaseous form in the inner pores. The water fills the storage space of pores under certain conditions; it is transported and transferred back to the surroundings. Many technical studies show that the moisture monitoring is prevailingly based on experiments. Previous calculating methods introduced, e.g., by Glaser, which became the basis for the standard calculations in many European countries in the 1960s, are not always sufficient with respect to the demands of the civil structures. The moisture influences thermo-insulating properties of the material. By a change of the thermo insulation properties of the construction also the thermal and diffusion scheme of the construction is changed and its thermal resistance is decreasing. Faults in the thermo-technical projects occur when thermal conductivity coefficient L values for material in a dry state are substituted.The aim of the research is to determine the capillary conductivity coefficient as a characteristic material moisture parameter of the building materials by the means of a non-destructive method using the experimentally assembled apparatus developed at the Department of Civil Engineering, Brno University of Technology. Keywords: Capillary conductivity coefficient, moisture transfer, EMWR (electromagnetic microwave radiation), diffusion 展开更多
关键词 Capillary conductivity coefficient moisture transfer EMWR (electromagnetic microwave radiation) diffusion.
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Microstructure and properties of electronic packaging shell with high silicon carbide aluminum-base composites by semi-solid thixoforming
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作者 郭明海 刘俊友 +2 位作者 贾成厂 贾琪瑾 果世驹 《Journal of Central South University》 SCIE EI CAS 2014年第11期4053-4058,共6页
The electronic packaging shell with high silicon carbide aluminum-base composites was prepared by semi-solid thixoforming technique. The flow characteristic of the Si C particulate was analyzed. The microstructures of... The electronic packaging shell with high silicon carbide aluminum-base composites was prepared by semi-solid thixoforming technique. The flow characteristic of the Si C particulate was analyzed. The microstructures of different parts of the shell were observed by scanning electron microscopy and optical microscopy, and the thermophysical and mechanical properties of the shell were tested. The results show that there exists the segregation phenomenon between the Si C particulate and the liquid phase during thixoforming, the liquid phase flows from the shell, and the Si C particles accumulate at the bottom of the shell. The volume fraction of Si C decreases gradually from the bottom to the walls. Accordingly, the thermal conductivities of bottom center and walls are 178 and 164 W·m-1·K-1, the coefficients of thermal expansion(CTE) are 8.2×10-6 and 12.6×10-6 K-1, respectively. The flexural strength decreases slightly from 437 to 347 MPa. The microstructures and properties of the shell show gradient distribution. 展开更多
关键词 high silicon carbide aluminum-base composites electronic packaging semi-solid thixoforming thermal conductivity coefficient of thermal expansion
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Detection of Thermophysical Properties for High Strength Concrete after Exposure to High Temperature 被引量:3
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作者 杜红秀 WU Jia +2 位作者 LIU Gaili WU Huiping YAN Ruizhen 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 2017年第1期113-120,共8页
Using the detection principle of infrared thermal imaging technique and the detection principle of DRH thermal conductivity tester laboratory,we investigated the infrared thermal image inspection,coefficient of therma... Using the detection principle of infrared thermal imaging technique and the detection principle of DRH thermal conductivity tester laboratory,we investigated the infrared thermal image inspection,coefficient of thermal conductivity,apparent density,and compressive strength test on C80 high-strength concrete(HSC) in the presence and absence of polypropylene fibers under completely heated conditions.Only slight damages were detected below 400 ℃,whereas more and more severe deterioration events were expected when the temperature was above 500 ℃.The results show that the elevated temperature through infrared images generally exhibits an upward trend with increasing temperature,while the coefficient of thermal conductivity and apparent density decrease gradually.Additionally,the addition of polypropylene fibers with appropriate length,diameter,and quantity contributes to the improvement of the high-temperature resistance of HSC. 展开更多
关键词 high-strength concrete polypropylene fiber high temperature infrared thermal imaging technique coefficient of thermal conductivity compressive strength ratio
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Mechanical, electrical, and thermal expansion properties of carbon nanotube-based silver and silver–palladium alloy composites 被引量:3
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作者 Hemant Pal Vimal Sharma 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2014年第11期1132-1140,共9页
The mechanical, electrical, and thermal expansion properties of carbon nanotube(CNT)-based silver and silver–palladium(10:1, w/w) alloy nanocomposites are reported. To tailor the properties of silver, CNTs were ... The mechanical, electrical, and thermal expansion properties of carbon nanotube(CNT)-based silver and silver–palladium(10:1, w/w) alloy nanocomposites are reported. To tailor the properties of silver, CNTs were incorporated into a silver matrix by a modified molecular level-mixing process. CNTs interact weakly with silver because of their non-reactive nature and lack of mutual solubility. Therefore, palladium was utilized as an alloying element to improve interfacial adhesion. Comparative microstructural characterizations and property evaluations of the nanocomposites were performed. The structural characterizations revealed that decorated type-CNTs were dispersed, embedded, and anchored into the silver matrix. The experimental results indicated that the modification of the silver and silver–palladium nanocomposite with CNT resulted in increases in the hardness and Young's modulus along with concomitant decreases in the electrical conductivity and the coefficient of thermal expansion(CTE). The hardness and Young's modulus of the nanocomposites were increased by 30%?40% whereas the CTE was decreased to 50%-60% of the CTE of silver. The significantly improved CTE and the mechanical properties of the CNT-reinforced silver and silver–palladium nanocomposites are correlated with the intriguing properties of CNTs and with good interfacial adhesion between the CNTs and silver as a result of the fabrication process and the contact action of palladium as an alloying element. 展开更多
关键词 metal matrix composites carbon nanotubes mechanical properties coefficient of thermal expansion electrical conductivity
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Resistivity-temperature Characteristics of Conductive Asphalt Concrete 被引量:1
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作者 孙文州 LI Xu +1 位作者 杨群 ZHANG Hongwei 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 2016年第2期367-371,共5页
The changes of resistivity of conductive asphalt concrete at different temperatures were studied,and positive temperature coefficient(PTC)modelwas established to estimate the influence of temperature on the resistiv... The changes of resistivity of conductive asphalt concrete at different temperatures were studied,and positive temperature coefficient(PTC)modelwas established to estimate the influence of temperature on the resistivity quantitatively,which eliminated the interference with conductivity evaluation brought by temperature variation.Finally,the analysis of temperature cycling test results proves that the changes of percolation network structure caused by temperature variation prompt the emergence of PTC of conductive asphalt concrete. 展开更多
关键词 conductive asphalt concrete electrical resistivity positive temperature coefficient percolation network
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A New Type of Paper-frame Cavernous Material and Its Application in Energy Efficiency in Buildings
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作者 袁海庆 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 2001年第4期80-82,共3页
This paper introduces a new type of paper-frame cavernous material, which is a made-up hollow material, by using silicate-cinder size to drench and daub. It possesses excellent performances such as light-weight, high-... This paper introduces a new type of paper-frame cavernous material, which is a made-up hollow material, by using silicate-cinder size to drench and daub. It possesses excellent performances such as light-weight, high-intensity, fire-resistance, sound-insulation, heat-insulation and no-pollution. Composed with concrete materials, a new type of bearing and energy-efficient block can be gained, which is kind of excellent wall materials and has a wide application prospect. 展开更多
关键词 energy efficiency in buildings wall material heat transfer coefficient coefficient of thermal conductivity heat resistance paper-frame cavernous material
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Research for Optimizing Porosity of Porous Thermal-insulating Materials
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作者 HE Miaolin ZHANG Meijie HUANG Ao 《China's Refractories》 CAS 2018年第2期41-44,共4页
With the energy crisis and ecological environment deterioration, porous thermal-insulating materials become an advanced research hotspot, and the influence of pore distribution cannot be ignored. The mathematical mode... With the energy crisis and ecological environment deterioration, porous thermal-insulating materials become an advanced research hotspot, and the influence of pore distribution cannot be ignored. The mathematical model is established basing on the heat transfor theory, regarding the minimum heat flux density as the objective function, the constant total porosity as a constraint condition, using the BFGS method to optimize the pore distribution. The results show that when the heat flux is the minimum, in the case of the fixed total porosity, the high temperature zone has high porosity, the low temperature zone has low porosity; the maximal fluctuating amplitude of porosity between the adjacent discrete points has great impact on the thermal insulating performanee, the greater the fluctuating amplitude, the better the thermal insulating ability. After calculating the temperature field of the corresponding physical model, it can be found that the temperature gradient is non-uniform, the temperature gradient of the high temperature zone is steep, and that of the low temperature zone is gentle. These results have guiding significance for preparation of porous thermal-insulating materials. 展开更多
关键词 porous thermal-insulating materials coefficient of thermal conductivity heat flow density optimal pore distribution
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Thermal properties of diamond/Al composites by pressure infiltration:comparison between methods of coating Ti onto diamond surfaces and adding Si into Al matrix 被引量:5
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作者 Cai-Yu Guo Xin-Bo He +1 位作者 Shu-Bin Ren Xuan-Hui Qu 《Rare Metals》 SCIE EI CAS CSCD 2016年第3期249-255,共7页
This study was pertained to the effects of Ti coating on diamond surfaces and Si addition into Al matrix on the thermal conductivity(TC) and the coefficient of thermal expansion(CTE) of diamond/Al composites by pr... This study was pertained to the effects of Ti coating on diamond surfaces and Si addition into Al matrix on the thermal conductivity(TC) and the coefficient of thermal expansion(CTE) of diamond/Al composites by pressure infiltration.The fracture surfaces,interface microstructures by metal electro-etching and interfacial thermal conductance of the composites prepared by two methods were compared.The results reveal that Ti coating on diamond surfaces and only12.2 wt% Si addition into Al matrix could both improve the interfacial bonding and increase the TCs of the composites.But the Ti coating layer introduces more interfacial thermal barrier at the diamond/Al interface compared to adding 12.2 wt% Si into Al matrix.The diamond/Al composite with 12.2 wt% Si addition exhibits maximum TC of 534 W·m^-1·K^-1and a very low CTE of 8.9×10^-6K^-1,while the coating Ti-diamond/Al composite has a TC of 514 W·m^-1·K^-1 and a CTE of 11.0×10^-6K^-1. 展开更多
关键词 Metal matrix composites Coating Thermal conductivity coefficient of thermal expansion Pressure infiltration
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A new measurement method for radial permeability and porosity of shale 被引量:3
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作者 Zehao Yang Mingzhe Dong 《Petroleum Research》 2017年第2期178-185,共8页
To more conveniently and accurately obtain the radial permeability of shale,a new measurement method was proposed for the pressure attenuation of radial permeability and porosity in shale.Through experiments,this meth... To more conveniently and accurately obtain the radial permeability of shale,a new measurement method was proposed for the pressure attenuation of radial permeability and porosity in shale.Through experiments,this method could be used to get the pressure attenuation curve in annular space between the core and inner wall of PVT vessel under the helium along shale radial flow.Accordingly,a mathematical model was established to obtain the semi-analytical solution between pressure and time in the radial model.Meanwhile,through fitting the experimental results,the concentration conductivity and porosity of shale were obtained,and their relationship was used to derive the radial permeability of shale.This method was adopted to measure the permeability and porosity of two cores under three sets of different initial pressures in the annular space.The permeability test results were compared with those obtained by the conventional Dicker method and Smits pressure-attenuation method,and the porosity test results were also compared with those obtained by the conventional porosimeter,thus the feasibility and superiority of this method were confirmed.In contrast to the conventional pressureattenuation methods,this new model had advantages of simpler instruments and more convenient operation,and was also easy to measure the radial permeability and porosity of shale. 展开更多
关键词 Radial permeability and porosity Pressure attenuation Annular space Concentration conductivity coefficient SHALE
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Synthesis kinetics and thermophysical properties of La_2(Zr_(0.7)Ce_(0.3))_2O_7 ceramic for thermal barrier coatings 被引量:4
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作者 项建英 陈树海 +4 位作者 黄继华 梁文建 曹艳军 汪瑞军 何箐 《Journal of Rare Earths》 SCIE EI CAS CSCD 2012年第3期228-232,共5页
La2(Zr0.7Ce0.3)2O7 (LZ7C3) ceramic was synthesized by solid state reaction with La2O3, ZrO2 and CeO2 as starting materials. The synthesis kinetics, phase structure, mass loss and microstructure were studied by the... La2(Zr0.7Ce0.3)2O7 (LZ7C3) ceramic was synthesized by solid state reaction with La2O3, ZrO2 and CeO2 as starting materials. The synthesis kinetics, phase structure, mass loss and microstructure were studied by thermo gravimetric-different thermal analyzer (TG-DTA), X-ray difference (XRD) and scanning electron microscopy (SEM). The thermal conductivity and thermal expansion coefficient were measured by laser-flash method and pushing-rod method, respectively. XRD results showed that LZ7C3 was a mixture of La2Zr2O7 (LZ, pyro- chlore) and La2Ce2O7 (LC, fluorite). The lowest synthesis temperature and time of LZ7C3 were 1400 oC and 5 h. There were no peaks of La2O3 when the powder granularity was about 0.82 μm in the synthesis process. The atom ratio La:Zr:Ce of prepared LZ7C3 powder was very close to 10:7:3 which was the theory value of LZ7C3. The thermal conductivity of LZ7C3 decreased gradually with the temperature increased up to 1200 oC, and was located within 0.79 to 1.02 W/(m·K), which was almost 50% lower than that of LZ, whereas its thermal expansion coefficient was larger and the value was 11.6×10-6 K-1. 展开更多
关键词 LZ7C3 thermal barrier coating thermal conductivity thermal expansion coefficient rare earths
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Evolution of thermo-physical properties of diamond/Cu composite materials under thermal shock load 被引量:1
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作者 Hong Guo Zhi-Hui Bai +3 位作者 Xi-Min Zhang Fa-Zhang Yin Cheng-Chang Jia Yuan-Yuan Han 《Rare Metals》 SCIE EI CAS CSCD 2014年第2期185-190,共6页
In this paper, the two-flume method was used to study the change laws of the thermal conductivity and thermal expansion coefficient of diamond/Cu composite materials with 100, 300, and 500 cycle numbers, under the act... In this paper, the two-flume method was used to study the change laws of the thermal conductivity and thermal expansion coefficient of diamond/Cu composite materials with 100, 300, and 500 cycle numbers, under the action of thermal shock load between-196 and 85 °C; the X-ray diffraction method(XRD) was used to study the change of the residual stress in the thermal shock process of the diamond/Cu composite materials; and the evolution of the fracture microstructure with different thermal shock cycle numbers was observed through scanning electron microscopy(SEM). The results of the study show that the increase of the binder residue at the interface reduces the thermal shock stability of the diamond/Cu composite materials. In addition, under the thermal shock load between-196 and 85 °C, the residual stress of the diamond/Cu composite materials increases continuously with the increase of the cycle numbers, the increase of residual stress leads to a small amount of interface debonding, an increase of the interfacial thermal resistances, and a decrease of the constraints of low-expansion component on material deformation, thus the thermal conductivity decreases slightly and the thermal expansion coefficient increases slightly. 展开更多
关键词 Diamond/Cu Thermal shock Thermal conductivity Thermal expansion coefficient Residual stress
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DFT studies of thermoelectric properties of R-Au intermetallics at 300 K 被引量:1
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作者 Sardar Ahmad Rashid Ahmad +1 位作者 Muhammad Bilal Najeeb Ur Rehman 《Journal of Rare Earths》 SCIE EI CAS CSCD 2018年第2期197-202,共6页
Thermoelectric and electronic properties of cubic bi-intermetallics R-Au(R = Tb, Ho. Er. Tm and Yb)compounds were explored. Electronic properties i.e. density of states and band structure were computed using first p... Thermoelectric and electronic properties of cubic bi-intermetallics R-Au(R = Tb, Ho. Er. Tm and Yb)compounds were explored. Electronic properties i.e. density of states and band structure were computed using first principles calculations which proved the metallic nature of these compounds. Post-DFT(BoltzTraP) calculations were carried out to explore their thermoelectric properties like electrical conductivities. Seebeck coefficient, electronic thermal conductivities and figure of merit. The highest Seebeck coefficient and figure of merit were found for YbAu among these compounds which are 105 μV/K and 0.285 respectively. All the calculations were carried out at 300 K. Large values of figure of merit obtained for these compounds at room temperature indicate that these materials can be used for thermoelectric devices however need experimental verification. 展开更多
关键词 DFT Seebeck coefficient Figure of merit Thermal conductivity Electrical conductivity R-Au
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