CN103425819A - Design method of nitrogen-doped modified graphene thermal rectifier - Google Patents
Design method of nitrogen-doped modified graphene thermal rectifier Download PDFInfo
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- CN103425819A CN103425819A CN2013102898255A CN201310289825A CN103425819A CN 103425819 A CN103425819 A CN 103425819A CN 2013102898255 A CN2013102898255 A CN 2013102898255A CN 201310289825 A CN201310289825 A CN 201310289825A CN 103425819 A CN103425819 A CN 103425819A
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Abstract
The invention discloses a design method of a nitrogen-doped modified graphene thermal rectifier and adopted in micro-nano electronic manufacture. The design method comprises the following steps of (1) performing nitrogen atom doping to graphene according to a thermal rectification mechanism to obtain a triangular nitrogen-doped graphene structure; (2) adding constant temperature baths at two ends of a nitrogen-doped graphene structure so as to set different temperatures; (3) continuously adjusting and controlling exchange frequency of atom kinetic energy in a man-made mode to seek optimal convective heat-transfer coefficients; (4) calculating thermal conductivity and thermal rectification coefficients of the graphene structure under the condition of different temperatures. The design method adopts nitrogen atoms to replace carbon atoms and change the graphene structure, enables the inside of the whole structure to be asymmetric, adjusts and controls exchange frequency of the kinetic energy, utilizes a rectification effect mechanism to achieve the controllability in the heat-transfer direction and prolongs the service life of electronic devices.
Description
Technical field
The present invention relates to the method for designing of the hot rectifying device of a kind of nitrogen-doped modified Graphene in the manufacture of micro-nano electronics.
Background technology
Along with the develop rapidly of semiconductor technology and MEMS technology, electron device shows the characteristics of Highgrade integration and miniaturization.The raising of micro-nano electronic devices and components packing density, also increasing sharply its component internal heat flow density.Can the high density additional energy shift efficiently and rapidly, will directly affect the serviceable life of electronic devices and components.Therefore, the heat control problem under micro/nano-scale should obtain the extensive attention of engineering circles and academia.Graphene, a kind of new material that has perfect performance, the thermal characteristic that it is outstanding, 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 nitrogen-doping geometric shape 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 objective of the invention is to provide the method for designing of the hot rectifying device of a kind of nitrogen-doped modified Graphene in the manufacture of micro-nano electronics, to solve the low problem of electron device heat expulsion efficiency under Highgrade integration, microscale, this method for designing is controlled 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 nitrogen-doped modified Graphene in the manufacture of micro-nano electronics adopts following steps successively: 1) according to hot rectifying mechanism, Graphene is carried out to nitrogen atom doping, obtain the graphene-structured of single nitrogen atom doping; 2) apply temperature bath at the two ends of nitrogen-doped graphene structure, 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 nitrogen-doped graphene structure under condition of different temperatures.
The detailed process of described step 1) is: the requirement based on asymmetrical system in hot rectifying mechanism, under micro/nano-scale, Graphene is carried out to the single nitrogen atom doping, and the nitrogen-atoms after doping forms leg-of-mutton arrangement, to reach the asymmetry of graphene-structured.The nitrogen-doped graphene structure length is 10.35nm, and width is 3.8nm, and the nitrogen-atoms number is 10, and between every row nitrogen-atoms, spacing equates, whole monatomic triangle nitrogen doped structure 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, left and right of graphene-structured by Computer Simulation, with the effect that realizes that in simulating reality, heat transmits.
Apply different temperatures in temperature bath, by artificial adjustment atom exchange of kinetic energy frequency, make system 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 this variable of temperature, 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 the hot rectified value of described nitrogen-doped graphene structure under condition of different temperatures, by data analysis, obtain the design proposal of optimal heat rectifying device.By calculating acquired results, prove, the hot rectifying device based on nitrogen-doped modified Graphene can be applicable in the micro-nano electron device carry out heat management.
The present invention by carrying out nitrogen atom doping 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, improves the serviceable life of device.
The accompanying drawing explanation
The hot rectifying device of Fig. 1 based on nitrogen-doped modified Graphene;
Fig. 2 is based on nitrogen-doped modified Graphene linear fit thermograde;
Fig. 3 is based on nitrogen-doped modified Graphene quantum correction thermal conductivity
kThe variation with temperature curve;
Fig. 4 is based on the hot rectified value η variation with temperature of nitrogen-doped modified Graphene curve.
Embodiment
From being announced to the world splendidly of Graphene in 2004, its outstanding mechanics, electricity, optics, thermal characteristic and the great potential of applying in the micro-nano electronic devices and components thereof, be subject to the Chinese scholars extensive concern.The present invention is the hot rectifying device of design, wishes to realize the simulation of real work environment by regulating temperature, to obtain at each temperature maximum hot rectification numerical value under thermal conductivity and corresponding conditions.
For obtaining the outstanding electrical part of receiving of heat dispersion, provide theoretical calculating to support, the thermal characteristic (quantum correction thermal conductivity, hot rectification coefficient etc.) that calculates the simulation nitrogen-doped graphene by theory is with R&D cycle of shortening new product and reduce costs.At first, by Simulation Software Design Graphene original structure, then it is carried out to nitrogen atom doping obtain asymmetrical system, specifically see Fig. 1.In figure, 1 is doped chemical nitrogen, and the nitrogen-atoms number is 10,2 to be temperature bath.
Then, the temperature bath at nitrogen-doped graphene structure two ends 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 to linear fit, obtain thermograde, specifically see Fig. 2.
Then, calculate formula by thermal conductivity: K=-
Q/(dT/dx), calculate hot-fluid and be applied to thermal conductivity on both direction
kAlong with the change curve of temperature, concrete visible Fig. 3.
Finally, by hot rectification formula: η=(
k (Left
→Right
) -
k (Right
→Left
) )/
k (Right
→Left
) , calculate hot rectified value η variation with temperature curve, specifically see Fig. 4.Can find, hot rectification numerical value increases and presents and reduce trend with temperature, and when low temperature, (200K) hot efficiency of rectification is higher.When analog temperature reaches 600K, a negative value appears in hot rectified value, and this negative value is extremely valuable for the transistorized design of heat.Result of the present invention will provide theoretical foundation for the research and development of products with the after heat rectifying device and industry manufacture, for shortening the R&D cycle and reducing costs, have certain value.
Method for designing of the present invention changes graphene-structured by nitrogen-doping, makes total inside present asymmetry, and regulation and control exchange of kinetic energy frequency, utilize rectifying effect mechanism, realizes the controllability of heat direction of transfer, improves the serviceable life of electron device.Therefore, the method for designing that the present invention is based on the hot rectifying device of nitrogen-doped modified Graphene has certain theory value and directive significance for its research and development of products and industry manufacture.
Claims (6)
1. the method for designing of the hot rectifying device of nitrogen-doped modified Graphene, is characterized in that, adopts successively following steps:
1) according to hot rectifying mechanism, Graphene is carried out to nitrogen atom doping, obtain single nitrogen atom doped graphene structure;
2) apply temperature bath at the two ends of nitrogen-doped graphene structure, 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 nitrogen-doped graphene structure under condition of different temperatures.
2. the method for designing of the hot rectifying device of a kind of nitrogen-doped modified Graphene according to claim 1, it is characterized in that, the detailed process of described step 1) is: the requirement based on asymmetrical system in hot rectifying mechanism, under micro/nano-scale, Graphene is carried out to the single nitrogen atom doping, the nitrogen-atoms of doping forms leg-of-mutton arrangement, to reach the asymmetry of graphene-structured.
3. the method for designing of the hot rectifying device of a kind of nitrogen-doped modified Graphene according to claim 2, it is characterized in that, described nitrogen-doped graphene structure length is 10.35nm, width is 3.8nm, the nitrogen-atoms number of doping is 10, between every row nitrogen-atoms, spacing equates, whole monatomic triangle nitrogen doped structure position is positioned at the center of graphene-structured.
4. the method for designing of the hot rectifying device of a kind of nitrogen-doped modified Graphene according to claim 1, it is characterized in that, described step 2) in, temperature bath adopts Nos é-Hoover temperature bath, be applied to the two ends, left and right of graphene-structured by Computer Simulation, be used for heat transmission in simulating reality.
5. the method for designing of the hot rectifying device of a kind of nitrogen-doped modified Graphene according to claim 1, is characterized in that, in described step 3), adopts artificial mode to regulate and control the exchange frequency of atom kinetic energy.
6. the method for designing of the hot rectifying device of a kind of nitrogen-doped modified Graphene according to claim 1, is characterized in that, the calculation procedure of described step 4) is as follows:
(1) according to this variable of temperature, utilize 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 the hot rectified value of described nitrogen-doped graphene structure at each temperature, wherein K is heat conductivity value,
qFor heat flow density, dT/dx is thermograde; η is hot rectified value,
k (Left
→Right
) Heat conductivity value while for hot-fluid, from left end, flowing to right-hand member,
k (Right
→Left
) Heat conductivity value while for hot-fluid, from right-hand member, flowing to left end; (2), by above data analysis, obtain the design proposal of optimal heat rectifying device.
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Cited By (4)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| CN104650814A (en) * | 2015-01-15 | 2015-05-27 | 北京大学 | Phase-change thermal rectifier and preparation method thereof |
| CN106257974A (en) * | 2015-06-22 | 2016-12-28 | 中原大学 | Metal foil and composite radiating fin thereof |
| 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 |
-
2013
- 2013-07-10 CN CN2013102898255A patent/CN103425819A/en active Pending
Non-Patent Citations (3)
| Title |
|---|
| PING YANG等: "Numerical investigation on thermal conductivity and thermal rectification in graphene through nitrogen-doping engineering", 《APPLIED PHYSICS A》 * |
| 杨平等: "氮掺杂和空位对石墨烯纳米带热导率影响的分子动力学模拟", 《物理学报》 * |
| 王晓亮: "结构修饰下石墨烯纳米带热物性研究", 《万方数据学位论文集》 * |
Cited By (6)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| CN104650814A (en) * | 2015-01-15 | 2015-05-27 | 北京大学 | Phase-change thermal rectifier and preparation method thereof |
| CN106257974A (en) * | 2015-06-22 | 2016-12-28 | 中原大学 | Metal foil and composite radiating fin thereof |
| CN106257974B (en) * | 2015-06-22 | 2019-06-11 | 中原大学 | Metal foil and composite radiating fin thereof |
| 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 |
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Application publication date: 20131204 |