Electrical transformers are vital components found virtually in most power-operated equipments. These transformers spontaneously radiate heat in both operation and steady-state mode. Should this thermal radiation inhe...Electrical transformers are vital components found virtually in most power-operated equipments. These transformers spontaneously radiate heat in both operation and steady-state mode. Should this thermal radiation inherent in transformers rises above allowable threshold a reduction in efficiency of operation occurs. In addition, this could cause other components in the system to malfunction. The aim of this work is to detect the remote causes of this undesirable thermal rise in transformers such as oil distribution transformers and ways to control this prevailing thermal problem. Oil transformers consist of these components: windings usually made of copper or aluminum conductor, the core normally made of silicon steel, the heat radiators, and the dielectric materials such as transformer oil, cellulose insulators and other peripherals. The Resistor-Inductor-Capacitor Thermal Network (RLCTN) model at architectural level identifies with these components to have ensemble operational mode as oil transformer. The Inductor represents the windings, the Resistor representing the core and the Capacitor represents the dielectrics. Thermography of transformer under various loading conditions was analyzed base on Infrared thermal gradient. Mathematical, experimental, and simulation results gotten through RLCTN with respect to time and thermal image analysis proved that the capacitance of the dielectric is inversely proportional to the thermal rise.展开更多
In this work the thermal transport properties of graphene nanoribbons with randomly distributed vacancy defects are investigated by the reverse non-equilibrium molecular dynamics method. We find that the thermal condu...In this work the thermal transport properties of graphene nanoribbons with randomly distributed vacancy defects are investigated by the reverse non-equilibrium molecular dynamics method. We find that the thermal conductivity of the graphene nanoribbons decreases as the defect coverage increases and is saturated in a high defect ratio range. Further analysis reveals a strong mismatch in the phonon spectrum between the unsaturated carbon atoms in 2-fold coordination around the defects and the saturated carbon atoms in 3-fold coordination, which induces high interfacial thermal resistance in defective graphene and suppresses the thermal conductivity. The defects induce a complicated bonding transform from sp2 to hybrid sp--sp2 network and trigger vibration mode density redistribution, by which the phonon spectrum conversion and strong phonon scattering at defect sites are explained. These results shed new light on the understanding of the thermal transport behavior of graphene-based nanomaterials with new structural configurations and pave the way for future designs of thermal management phononic devices.展开更多
The thermal conductivity of carbon nanotubes with certain defects （doping, Stone-Wales, and vacancy） is investigated by using the non-equilibrium molecular dynamics method. The defective carbon nanotubes （CNTs） ar...The thermal conductivity of carbon nanotubes with certain defects （doping, Stone-Wales, and vacancy） is investigated by using the non-equilibrium molecular dynamics method. The defective carbon nanotubes （CNTs） are compared with perfect tubes. The influences of type and concentration of the defect, length, diameter, and chirality of the tube, and the ambient temperature are taken into consideration. It is demonstrated that defects result in a dramatic reduction of thermal conductivity. Doping and Stone-Wales （SW） defects have greater effect on armchair tubes, while vacancy affects the zigzag ones more. Thermal conductivity of the nanotubes increases, reaches a peak, and then decreases with increasing temperature. The temperature at which the thermal conductivity peak occurs is dependent on the defect type. Different from SW or vacancy tubes, doped tubes are similar to the perfect ones with a sharp peak at the same temperature. Thermal conductivity goes up when the tube length grows or diameter declines. It seems that the length of thermal conductivity convergence for SW tubes is much shorter than perfect or vacancy ones. The SW or vacancy tubes are less sensitive to the diameter change, compared with perfect ones.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
We use molecular dynamics simulation to calculate the thermal conductivities of（5, 5） carbon nanotube superlattices（CNTSLs） and defective carbon nanotubes（DCNTs）, where CNTSLs and DCNTs have the same size. It is...We use molecular dynamics simulation to calculate the thermal conductivities of（5, 5） carbon nanotube superlattices（CNTSLs） and defective carbon nanotubes（DCNTs）, where CNTSLs and DCNTs have the same size. It is found that the thermal conductivity of DCNT is lower than that of CNTSL at the same concentration of Stone–Wales（SW） defects. We perform the analysis of heat current autocorrelation functions and observe the phonon coherent resonance in CNTSLs, but do not observe the same effect in DCNTs. The phonon vibrational eigen-mode analysis reveals that all modes of phonons are strongly localized by SW defects. The degree of localization of CNTSLs is lower than that of DCNTs, because the phonon coherent resonance results in the phonon tunneling effect in the longitudinal phonon mode. The results are helpful in understanding and tuning the thermal conductivity of carbon nanotubes by defect engineering.展开更多
Using the first-principles method, we investigate the thermal stability of cation point defects in LaAlO3 bulk and films. The calculated densities of states indicate that cation vacancies and antisites act as acceptor...Using the first-principles method, we investigate the thermal stability of cation point defects in LaAlO3 bulk and films. The calculated densities of states indicate that cation vacancies and antisites act as acceptors. The formation energies show that cation vacancies are energetically favorable in bulk LaAIO3 under O-rich conditions, while the AILa antisites are stable in reducing atmosphere. However, the same behavior does not appear in the case of LaAlO3 films. For LaO-terminated LaAlOa fihns, La or AI vacancies remain energetically favorable under O-rich and O-deficient conditions. For an AlO2-terminated surface, under O-rich condition the La interstitial atom is repelled from the outmost layer after optimization, which releases more stress leading to the decrease of total energy of the system. An AI interstitial atom has a smaller radius so that it can stay in distorted films and becomes more stable under O-deficient conditions, and the Al interstitial atoms can be another possible carrier source contribution to the conductivity of n-type interface under an ultrahigh vacuum. La and Al antisites have similar formation energy regardless of oxygen pressure. The results would be helpful to understand the defect structures of LaAlOa-related materials.展开更多
Thermal storage potential and thermal expansion are characteristic properties for extreme applications. ZrB2 is a candidate for advanced applications in aircraft and fusion reactors. This article presents density func...Thermal storage potential and thermal expansion are characteristic properties for extreme applications. ZrB2 is a candidate for advanced applications in aircraft and fusion reactors. This article presents density functional theory calculations of its states, microstructure and quasi-harmonic levels calculations of thermophysical properties. Band structure highlighted dynamical instability with metallic impurities in ZrB2 structure based on frequency modes. The observed projected density of states (PDOS) appropriate 4d orbital of Zr dominated at low frequency both in perfect crystal in the presence or absence of covalent impurities while B 2s and 2p orbitals dominate higher frequency states. Temperature dependency and anisotropy of coefficient of thermal expansion (CTE) were evaluated with various impurities. Various thermodynamic properties like entropy and free energy were explored for degrees of freedom resulting from internal energy changes in the material. Computed results for heat capacity and CTE were compared to available numerical and experimental data.展开更多
Photothermal deflection is widely used to study defects in materials. Both high spatial resolution and high sensitivity are required to detect them. In order to improve the theoretical model in the case of uniform hea...Photothermal deflection is widely used to study defects in materials. Both high spatial resolution and high sensitivity are required to detect them. In order to improve the theoretical model in the case of uniform heating (one dimensional heat treatment) we have chosen to heat the sample by a halogen lamp. The sample which contains a known surface and subsurface defects is first covered by a thin graphite layer and placed in air. The sample fixed on a vertical holder is able to move in the x and y directions thanks a two stepper motors. The measurement showed excellent agreement between experimental and simulation results.展开更多
Employing the arc discharge method we prepared carbon nanotubes, CNTs, in open air deionized water. Their morphology was studied varying the annealing temperature and characterizing by Raman Spectroscopy, Transmission...Employing the arc discharge method we prepared carbon nanotubes, CNTs, in open air deionized water. Their morphology was studied varying the annealing temperature and characterizing by Raman Spectroscopy, Transmission Electron Microscopy (TEM), X-Ray Diffractogram (XRD) and Energy Dispersion X-Ray (EDX). According to the study, the CNTs are found self-assembled where the graphene sheets and/or defects are observed sort out themselves with enhancement of temperature.展开更多
Imperfections in the(001) plate of rubidium hydrogen phthalate(RAP, RbC8H5O4) crystals have been studied by means of X-ray topography. The main defects are the grown-in dislocations, inclusions, growth layers and the ...Imperfections in the(001) plate of rubidium hydrogen phthalate(RAP, RbC8H5O4) crystals have been studied by means of X-ray topography. The main defects are the grown-in dislocations, inclusions, growth layers and the thermal strain lobes caused by heat. The large thermal strain nature was determined by an Inclusion Probed Method (IPM), which is due to the gradient of the interplanar spacing formed by atomic displacement to <110> directions.展开更多
文摘Electrical transformers are vital components found virtually in most power-operated equipments. These transformers spontaneously radiate heat in both operation and steady-state mode. Should this thermal radiation inherent in transformers rises above allowable threshold a reduction in efficiency of operation occurs. In addition, this could cause other components in the system to malfunction. The aim of this work is to detect the remote causes of this undesirable thermal rise in transformers such as oil distribution transformers and ways to control this prevailing thermal problem. Oil transformers consist of these components: windings usually made of copper or aluminum conductor, the core normally made of silicon steel, the heat radiators, and the dielectric materials such as transformer oil, cellulose insulators and other peripherals. The Resistor-Inductor-Capacitor Thermal Network (RLCTN) model at architectural level identifies with these components to have ensemble operational mode as oil transformer. The Inductor represents the windings, the Resistor representing the core and the Capacitor represents the dielectrics. Thermography of transformer under various loading conditions was analyzed base on Infrared thermal gradient. Mathematical, experimental, and simulation results gotten through RLCTN with respect to time and thermal image analysis proved that the capacitance of the dielectric is inversely proportional to the thermal rise.
基金Project supported by the National Natural Science Foundation of China(Grant No.51202032)the National Key Project for Basic Research of China(Grant No.2011CBA00200)+1 种基金the Natural Science Foundation of Fujian Province,China(Grant Nos.2012J01004 and 2013J01009)the Funds from the Fujian Provincial Education Bureau,China(Grant No.GA12064)
文摘In this work the thermal transport properties of graphene nanoribbons with randomly distributed vacancy defects are investigated by the reverse non-equilibrium molecular dynamics method. We find that the thermal conductivity of the graphene nanoribbons decreases as the defect coverage increases and is saturated in a high defect ratio range. Further analysis reveals a strong mismatch in the phonon spectrum between the unsaturated carbon atoms in 2-fold coordination around the defects and the saturated carbon atoms in 3-fold coordination, which induces high interfacial thermal resistance in defective graphene and suppresses the thermal conductivity. The defects induce a complicated bonding transform from sp2 to hybrid sp--sp2 network and trigger vibration mode density redistribution, by which the phonon spectrum conversion and strong phonon scattering at defect sites are explained. These results shed new light on the understanding of the thermal transport behavior of graphene-based nanomaterials with new structural configurations and pave the way for future designs of thermal management phononic devices.
基金Project supported by the National Natural Science Foundation of China (Grant Nos. 50876010 and 51176011)the Program for New Century Excellent Talents in University of Ministry of Education of China (Grant No. NCET-08-0721)
文摘The thermal conductivity of carbon nanotubes with certain defects （doping, Stone-Wales, and vacancy） is investigated by using the non-equilibrium molecular dynamics method. The defective carbon nanotubes （CNTs） are compared with perfect tubes. The influences of type and concentration of the defect, length, diameter, and chirality of the tube, and the ambient temperature are taken into consideration. It is demonstrated that defects result in a dramatic reduction of thermal conductivity. Doping and Stone-Wales （SW） defects have greater effect on armchair tubes, while vacancy affects the zigzag ones more. Thermal conductivity of the nanotubes increases, reaches a peak, and then decreases with increasing temperature. The temperature at which the thermal conductivity peak occurs is dependent on the defect type. Different from SW or vacancy tubes, doped tubes are similar to the perfect ones with a sharp peak at the same temperature. Thermal conductivity goes up when the tube length grows or diameter declines. It seems that the length of thermal conductivity convergence for SW tubes is much shorter than perfect or vacancy ones. The SW or vacancy tubes are less sensitive to the diameter change, compared with perfect ones.
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Project supported by the National Natural Science Foundation of China(Grant Nos.11404278 and 11275163)the Science Foundation of Hunan Province,China(Grant No.2016JJ2131)
文摘We use molecular dynamics simulation to calculate the thermal conductivities of（5, 5） carbon nanotube superlattices（CNTSLs） and defective carbon nanotubes（DCNTs）, where CNTSLs and DCNTs have the same size. It is found that the thermal conductivity of DCNT is lower than that of CNTSL at the same concentration of Stone–Wales（SW） defects. We perform the analysis of heat current autocorrelation functions and observe the phonon coherent resonance in CNTSLs, but do not observe the same effect in DCNTs. The phonon vibrational eigen-mode analysis reveals that all modes of phonons are strongly localized by SW defects. The degree of localization of CNTSLs is lower than that of DCNTs, because the phonon coherent resonance results in the phonon tunneling effect in the longitudinal phonon mode. The results are helpful in understanding and tuning the thermal conductivity of carbon nanotubes by defect engineering.
基金Supported by the Hebei Provincial Young Top-Notch Talent Support Program under Grant No BJRC2016the Innovative Funding Project of Graduates of Hebei University under Grant No hbu2018ss62the Midwest Universities Comprehensive Strength Promotion Project
文摘Using the first-principles method, we investigate the thermal stability of cation point defects in LaAlO3 bulk and films. The calculated densities of states indicate that cation vacancies and antisites act as acceptors. The formation energies show that cation vacancies are energetically favorable in bulk LaAIO3 under O-rich conditions, while the AILa antisites are stable in reducing atmosphere. However, the same behavior does not appear in the case of LaAlO3 films. For LaO-terminated LaAlOa fihns, La or AI vacancies remain energetically favorable under O-rich and O-deficient conditions. For an AlO2-terminated surface, under O-rich condition the La interstitial atom is repelled from the outmost layer after optimization, which releases more stress leading to the decrease of total energy of the system. An AI interstitial atom has a smaller radius so that it can stay in distorted films and becomes more stable under O-deficient conditions, and the Al interstitial atoms can be another possible carrier source contribution to the conductivity of n-type interface under an ultrahigh vacuum. La and Al antisites have similar formation energy regardless of oxygen pressure. The results would be helpful to understand the defect structures of LaAlOa-related materials.
文摘Thermal storage potential and thermal expansion are characteristic properties for extreme applications. ZrB2 is a candidate for advanced applications in aircraft and fusion reactors. This article presents density functional theory calculations of its states, microstructure and quasi-harmonic levels calculations of thermophysical properties. Band structure highlighted dynamical instability with metallic impurities in ZrB2 structure based on frequency modes. The observed projected density of states (PDOS) appropriate 4d orbital of Zr dominated at low frequency both in perfect crystal in the presence or absence of covalent impurities while B 2s and 2p orbitals dominate higher frequency states. Temperature dependency and anisotropy of coefficient of thermal expansion (CTE) were evaluated with various impurities. Various thermodynamic properties like entropy and free energy were explored for degrees of freedom resulting from internal energy changes in the material. Computed results for heat capacity and CTE were compared to available numerical and experimental data.
文摘Photothermal deflection is widely used to study defects in materials. Both high spatial resolution and high sensitivity are required to detect them. In order to improve the theoretical model in the case of uniform heating (one dimensional heat treatment) we have chosen to heat the sample by a halogen lamp. The sample which contains a known surface and subsurface defects is first covered by a thin graphite layer and placed in air. The sample fixed on a vertical holder is able to move in the x and y directions thanks a two stepper motors. The measurement showed excellent agreement between experimental and simulation results.
文摘Employing the arc discharge method we prepared carbon nanotubes, CNTs, in open air deionized water. Their morphology was studied varying the annealing temperature and characterizing by Raman Spectroscopy, Transmission Electron Microscopy (TEM), X-Ray Diffractogram (XRD) and Energy Dispersion X-Ray (EDX). According to the study, the CNTs are found self-assembled where the graphene sheets and/or defects are observed sort out themselves with enhancement of temperature.
文摘Imperfections in the(001) plate of rubidium hydrogen phthalate(RAP, RbC8H5O4) crystals have been studied by means of X-ray topography. The main defects are the grown-in dislocations, inclusions, growth layers and the thermal strain lobes caused by heat. The large thermal strain nature was determined by an Inclusion Probed Method (IPM), which is due to the gradient of the interplanar spacing formed by atomic displacement to <110> directions.
