CN103310074A - Method for designing structural-modification type graphene heat rectifying device - Google Patents
Method for designing structural-modification type graphene heat rectifying device Download PDFInfo
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- CN103310074A CN103310074A CN2013102762749A CN201310276274A CN103310074A CN 103310074 A CN103310074 A CN 103310074A CN 2013102762749 A CN2013102762749 A CN 2013102762749A CN 201310276274 A CN201310276274 A CN 201310276274A CN 103310074 A CN103310074 A CN 103310074A
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Abstract
The invention discloses a method for designing a structural-modification type graphene heat rectifying device. The method comprises the following steps: 1) according to a heat rectifying mechanism, conducting structural modification to graphene to obtain a structural-modification type graphene structure; 2) using constant temperature baths at two ends of the structural-modification type graphene structure to apply different temperatures; 3) constantly regulating and controlling the exchange frequency of atomic kinetic energy in an artificial way to seek the best convective heat-transfer coefficient; 4) calculating the heat conductivity and the coefficient of heat rectifying of the graphene structure under different conditions. The method changes the self structure of graphene to enable the inner part of the whole structure to present asymmetry, regulates and controls the kinetic energy to exchange the frequency, and utilizes the rectifying effect mechanism to realize the controllability of the heat transfer direction. The service lives of electron devices are prolonged.
Description
Technical field
The present invention relates to a kind of hot rectifying device method for designing based on Graphene under the structural modification.
Background technology
Along with electron device Highgrade integration and microscale, the operation that whether device can be stable under the nanoscale is subjected to the impact of the high density additional energy transfer efficiency height of its generation to a great extent.If these heats can not in time be discharged, will directly shorten the serviceable life of electron device.Heat radiation becomes these epoch and needs a difficult problem of capturing badly.Graphene, a kind of novel nano membraneous material owing to its outstanding thermal characteristic, is controlled the direction of transfer of high density additional heat by devices such as extensively being designed to hot rectifier, hot transistor, hot logic gate, heat memory.Therefore, in the design R﹠D process of hot rectifying device, utilize computer simulation to calculate best defective proportion and specificity analysis, will be significant to R﹠D costs and the shortening R﹠D cycle of reducing hot rectifying device.
Summary of the invention
For micro-nano electron device middle-high density additional energy branch problem, the method for designing that the purpose of this invention is to provide a kind of hot rectifying device of structural modification Graphene of making based on the micro-nano electronics, to solve the low problem of electron device heat expulsion efficiency under Highgrade integration, the microscale, this method for designing control heat direction of transfer, the serviceable life that can improve electron device.
The technical solution used in the present invention is as follows:
The method for designing of the hot rectifying device of a kind of structural modification Graphene adopts following steps: 1) according to hot rectifying mechanism, Graphene is carried out structural modification, obtain the structural modification graphene-structured successively; 2) apply temperature bath at the two ends of structural modification graphene-structured, be used for applying different temperatures; 3) constantly regulate and control the exchange frequency of atom kinetic energy to seek best convective heat-transfer coefficient; 4) carry out the calculating of thermal conductivity and hot rectification coefficient for described structural modification graphene-structured under the different condition.
The detailed process of described step 1) is: based on the requirement of asymmetrical system in the hot rectifying mechanism, Graphene is carried out the structural modification of triangle vacancy defect under micro/nano-scale, to reach the asymmetry of graphene-structured.Described graphene-structured length is 10.6nm, and width is 3.8nm, the atomicity scope 5≤N of vacancy defect≤25, and triangle vacancy defect position is positioned at the center of graphene-structured.
Described step 2) temperature bath in adopts Nos é-Hoover temperature bath, is applied to the two ends, the left and right sides of graphene-structured by Computer Simulation, with the effect that realizes that heat transmits in the simulating reality.
In temperature bath, apply different temperatures, by artificial adjustment atom exchange of kinetic energy frequency, make system be in dynamic equilibrium state, avoid producing nonlinear effect, improve thermal conductivity and hot rectification computational accuracy, make as far as possible the process of heat transmission meet reality simultaneously.In conjunction with temperature and this two variable of defective atomicity, utilize formula for thermal conductivity: K=-
Q/And hot rectification formula: η (dT/dx) ,=(
k (Left
→Right
) -
k (Right
→Left
) )/
k (Right
→Left
) , calculate heat conductivity value and hot rectified value, wherein K is heat conductivity value,
qBe heat flow density, dT/dx is thermograde; η is hot rectified value,
k (Left
→Right
) Heat conductivity value when flowing to right-hand member for hot-fluid from the left end of described structural modification graphene-structured,
k (Right
→Left
) Heat conductivity value when flowing to left end for hot-fluid from the right-hand member of described structural modification graphene-structured.By data analysis, obtain the design proposal of optimal heat rectifying device.Prove by calculating acquired results, can be applicable to carry out in the micro-nano electron device heat management based on the hot rectifying device of Graphene under the structural modification.
The present invention modifies by carry out graphene-structured under micro/nano-scale, and the hot rectifier phenomena of its appearance can be applicable in the micro-nano electron device of Highgrade integration, miniaturization, to realize the quick transmission of high density additional energy, the serviceable life of improving device.
Description of drawings
Fig. 1 is based on the hot rectifying device of Graphene under the structural modification;
Fig. 2 is based on Graphene linear fit thermograde under the structural modification;
Fig. 3 is based on the quantum correction thermal conductivity under condition of different temperatures of Graphene under the structural modification
kWith the defective atomicity
NChange curve;
Fig. 4 based on Graphene under the structural modification under condition of different temperatures hot rectified value η with the defective atomicity
NChange curve.
Embodiment
Graphene is a kind of novel nano membraneous material that develops in recent years, is subject to the extensive concern of Chinese scholars because of advantages such as its mechanics, electricity, optics, thermal characteristics, and it is had broad application prospects in the micro-nano electron device.The present invention is the hot rectifying device of design, wishes by under condition of different temperatures, regulates the defective atomicity and obtains hot rectification numerical value maximum under stable thermal conductivity and the corresponding conditions.
Provide the theoretical support of calculating for obtaining the outstanding electrical part of receiving of heat dispersion, calculate R﹠D cycle and the reduction cost of thermal characteristic (quantum correction thermal conductivity, hot rectification coefficient etc.) to shorten new product that simulation mechanism is modified lower Graphene by theory.At first, by Simulation Software Design Graphene original structure, again it is carried out structural modification and obtain asymmetrical system, specifically see Fig. 1.1 is the structural modification Graphene among the figure, and 2 is temperature bath.
Then, the temperature bath at the Graphene two ends behind structural modification applies different temperatures, because there is temperature difference in two ends, convection heat transfer' heat-transfer by convection is carried out at the structure two ends, and whole system forms a Temperature Distribution, then its linear segment is carried out linear fit, obtain thermograde, specifically see Fig. 2.
Then, calculate formula: K=-by thermal conductivity
Q/(dT/dx), calculate under condition of different temperatures thermal conductivity on the both direction
kAlong with the defective atomicity
NChange curve, concrete visible Fig. 3.Can find, the ratio that defective atomicity N value (N=5) when smaller, thermal conductivity descend is very fast, and when defective atomicity N arrives certain value greatly (N=25), thermal conductivity presents stable tendency, and thermal conductivity for the variation of temperature show insensitive.This means, for the large environment of temperature variation, this structure is fit to make thermal device to heat-treat very much.
At last, by hot rectification formula: η=(
k (Left
→Right
) -
k (Right
→Left
) )/
k (Right
→Left
) , calculating under the condition of different temperatures, hot rectified value η is with the defective atomicity
NChange curve, specifically see Fig. 4.Can find, temperature is not obvious for the impact of hot rectified value; Hot rectified value presents ascendant trend along with the defective atomicity increases progressively.The result who draws illustrated again, and the designed scheme based on the hot rectifying device of Graphene under the structural modification of the present invention is feasible.This will provide theoretical foundation for research and development of products and the industry manufacturing with the after heat rectifying device, have certain value for shortening the R﹠D cycle and reducing cost.
Method for designing of the present invention is that total inside presents asymmetry by changing the Graphene self structure, and regulation and control exchange of kinetic energy frequency is utilized rectifying effect mechanism, realizes the controllability of heat direction of transfer, the serviceable life of improving electron device.Therefore, the method for designing that the present invention is based on the hot rectifying device of Graphene under the structural modification has certain theory value and directive significance for its research and development of products and industry manufacturing.
Claims (6)
1. the method for designing of the hot rectifying device of structural modification Graphene is characterized in that, adopts successively following steps:
1) according to hot rectifying mechanism, Graphene is carried out structural modification, obtain the structural modification graphene-structured;
2) apply temperature bath at the two ends of structural modification graphene-structured, be used for applying different temperatures;
3) constantly regulate and control the exchange frequency of atom kinetic energy to seek best convective heat-transfer coefficient;
4) carry out the calculating of thermal conductivity and hot rectification coefficient for described structural modification graphene-structured under the different condition.
2. the method for designing of the hot rectifying device of a kind of structural modification Graphene according to claim 1, it is characterized in that, the detailed process of described step 1) is: based on the requirement of asymmetrical system in the hot rectifying mechanism, under micro/nano-scale, Graphene is carried out the structural modification of triangle vacancy defect, to reach the asymmetry of graphene-structured.
3. the method for designing of the hot rectifying device of a kind of structural modification Graphene according to claim 2, it is characterized in that, described graphene-structured length is 10.6nm, width is 3.8nm, the atomicity scope 5≤N of vacancy defect≤25, triangle vacancy defect position is positioned at the center of graphene-structured.
4. the method for designing of the hot rectifying device of a kind of structural modification Graphene according to claim 1, it is characterized in that, described step 2) temperature bath adopts Nos é-Hoover temperature bath in, be applied to the two ends, the left and right sides of graphene-structured by Computer Simulation, be used for heat transmission in the simulating reality.
5. the method for designing of the hot rectifying device of a kind of structural modification Graphene according to claim 1 is characterized in that, adopts artificial mode to regulate and control the exchange frequency of atom kinetic energy in the described step 3).
6. the method for designing of the hot rectifying device of Graphene under a kind of structural modification according to claim 1 is characterized in that, the calculation procedure of described step 4) is as follows:
(1) in conjunction with temperature and this two variable of defective atomicity, utilizes formula for thermal conductivity: K=-
Q/And hot rectification formula: η (dT/dx) ,=(
k (Left
→Right
) -
k (Right
→Left
) )/
k (Right
→Left
) , calculate thermal conductivity and hot rectified value, wherein K is heat conductivity value,
qBe heat flow density, dT/dx is thermograde; η is hot rectified value,
k (Left
→Right
) Heat conductivity value when flowing to right-hand member for hot-fluid from the left end of described structural modification graphene-structured,
k (Right
→Left
) Heat conductivity value when flowing to left end for hot-fluid from the right-hand member of described structural modification graphene-structured; (2) by above data analysis, obtain the design proposal of optimal heat rectifying device.
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Cited By (5)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| CN104925798A (en) * | 2015-06-29 | 2015-09-23 | 南昌大学 | Triangular graphene preparing method |
| CN105084340A (en) * | 2015-06-30 | 2015-11-25 | 厦门大学 | Method for preparing thermal rectification parts and components from biological material |
| CN106479198A (en) * | 2016-12-07 | 2017-03-08 | 深圳市净相科技有限公司 | Hot rectifying material of a kind of high heat conduction flame retardant type and its preparation method and application |
| CN107194037A (en) * | 2017-04-25 | 2017-09-22 | 江苏大学 | A kind of design method of asymmetric insert structure nanometre film thermal rectifier |
| CN112218496A (en) * | 2020-10-10 | 2021-01-12 | 江南大学 | Thermal rectifying device and application thereof in regulating graphene thermal rectifying effect |
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| CN103091354A (en) * | 2011-11-01 | 2013-05-08 | 电子科技大学 | Method for testing film thermal conductivity |
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Cited By (8)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| CN104925798A (en) * | 2015-06-29 | 2015-09-23 | 南昌大学 | Triangular graphene preparing method |
| CN104925798B (en) * | 2015-06-29 | 2017-04-05 | 南昌大学 | A kind of preparation method of triangle Graphene |
| CN105084340A (en) * | 2015-06-30 | 2015-11-25 | 厦门大学 | Method for preparing thermal rectification parts and components from biological material |
| CN106479198A (en) * | 2016-12-07 | 2017-03-08 | 深圳市净相科技有限公司 | Hot rectifying material of a kind of high heat conduction flame retardant type and its preparation method and application |
| CN106479198B (en) * | 2016-12-07 | 2019-05-07 | 深圳市净相科技有限公司 | A kind of hot rectifying material of high thermal conductivity flame retardant type and its preparation method and application |
| CN107194037A (en) * | 2017-04-25 | 2017-09-22 | 江苏大学 | A kind of design method of asymmetric insert structure nanometre film thermal rectifier |
| CN112218496A (en) * | 2020-10-10 | 2021-01-12 | 江南大学 | Thermal rectifying device and application thereof in regulating graphene thermal rectifying effect |
| CN112218496B (en) * | 2020-10-10 | 2021-08-17 | 江南大学 | Thermal rectifying device and application thereof in regulating graphene thermal rectifying effect |
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