Regulation of thermal conductivity of bilayer graphene nanoribbon through interlayer covalent bond and tensile strain

Li Yao-Long; Li Zhe; Li Song-Yuan; Zhang Ren-Liang

doi:10.7498/aps.72.20231230

Abstract

The interlayer bonding of graphene is a method of modifying graphene, which can change the mechanical property and conductivity of graphene, but also affect its thermal properties. In this paper, the non-equilibrium molecular dynamics method is used to study the thermal conductivity of bilayer graphene nanoribbon which is local carbon sp³ hybridization (covalent bond formed between layers) under different concentration and angle of interlayer covalent bond chain and different tensile strain. The mechanism of the change of the thermal conductivity of bilayer graphene nanoribbon is analyzed through the density of phonon states. The results are as follows. The thermal conductivity of bilayer graphene nanoribbon decreases with the increase of the interlayer covalent bond concentration due to the intensification of phonon scattering and the reduction of phonon group velocities and effective phonon mean free path. Moreover, the decrease rate of thermal conductivity depends on the distribution angle of covalent bond chain. With the increase of interlayer covalent bond concentration, when the interlayer covalent bond chain is parallel to the direction of heat flow, the thermal conductivity decreases slowest because the heat transfer channel along the heat flow direction is gradually affected; when the interlayer covalent bond chain is at an angle with respect to the direction of heat flow, the thermal conductivity decreases more rapidly, and the larger the angle, the faster the thermal conductivity decreases. The rapid decline of thermal conductivity is due to the formation of interfacial thermal resistance at the interlayer covalent bond chain, where strong phonon-interface scattering occurs. In addition, it is found that the thermal conductivity of bilayer graphene nanoribbon with interlayer bonding will be further reduced by tensile strain due to the intensification of phonon scattering and the reduction of phonon group velocity. The results show that the thermal conductivity of bilayer graphene nanoribbon can be controlled by interlayer bonding and tensile strain. These conclusions are of great significance in designing and thermally controlling of graphene based nanodevices.

Keywords:

Authors and contacts

1.
School of Civil Engineering and Mechanics, Yanshan University, Qinhuangdao 066004, China
2.
Hebei Key Laboratory of Mechanical Reliability for Heavy Equipments and Large Structures, Yanshan University, Qinhuangdao 066004, China

Corresponding author: Zhang Ren-Liang, zhrleo@ysu.edu.cn

Funds: Project supported by the Young Teachers Independent Research Projects of Yanshan University, China (Grant No. 020000534) and the Doctoral Fund of Yanshan University, China (Grant No. B919).

FullText HTML : translate this paragraph

References

[1]	Novoselov K S, Geim A K, Morozov S V, Jiang D, Zhang Y, Dubonos S V, Grigorieva I V, Firsov A A 2004 Science 306 666 Google Scholar
[2]	King A, Johnson G, Engelberg D, Ludwig W, Marrow J 2008 Science 321 382 Google Scholar
[3]	Novoselov K S, Morozov S V, Mohinddin T M G, Ponomarenko L A, Elias D C, Yang R, Barbolina I I, Blake P, Booth T J, Jiang D, Giesbers J, Hill E W, Geim A K 2007 Phys. Status Solidi B 244 4106 Google Scholar
[4]	Pop E, Varshney V, Roy A K 2012 MRS Bull. 37 1273 Google Scholar
[5]	Geim A K, Novoselov K S 2007 Nat. Mater. 6 183 Google Scholar
[6]	Wu T, Zhang X, Yuan Q, Xue J, Lu G, Liu Z, Wang H, Wang H, Ding F, Yu Q, Xie X, Jiang M 2016 Nat. Mater. 15 43 Google Scholar
[7]	Ghosh S, Calizo I, Teweldebrhan D, Pokatilov E P, Nika D L, Balandin A A, Bao W, Miao F, Lau C N 2008 Appl. Phys. Lett. 92 151911 Google Scholar
[8]	Nika D L, Ghosh S, Pokatilov E P, Balandin A A 2009 Appl. Phys. Lett. 94 203103 Google Scholar
[9]	Xu Y, Chen X, Gu B, Duan W 2009 Appl. Phys. Lett. 95 233116 Google Scholar
[10]	Hu J, Ruan X, Chen Y P 2009 Nano Lett. 9 2730 Google Scholar
[11]	Kong B D, Paul S, Nardelli M B, Kim K W 2009 Phys. Rev. B 80 033406 Google Scholar
[12]	Cao H, Guo Z, Xiang H, Gong X 2012 Phys. Lett. A 376 525 Google Scholar
[13]	Chien S, Yang Y, Chen C O 2011 Appl. Phys. Lett. 98 33107 Google Scholar
[14]	Pei Q, Sha Z, Zhang Y 2011 Carbon 49 4752 Google Scholar
[15]	杨平, 王晓亮, 李培, 王欢, 张立强, 谢方伟 2012 61 076501 Google Scholar Yang P, Wang X L, Li P, Wang H, Zhang L Q, Xie F W 2012 Acta Phys. Sin. 61 076501 Google Scholar
[16]	Morpurgo A F, Vandersypen L M K, Oostinga J B, Heersche H B, Liu X 2008 Nat. Mater. 7 151 Google Scholar
[17]	Deng C C, Huang Y W, An M, Yang N 2021 Mater. Today Phys. 16 100305 Google Scholar
[18]	潘东楷, 宗志成, 杨诺 2022 71 086302 Google Scholar Pan D K, Zong Z C, Yang N 2022 Acta Phys. Sin. 71 086302 Google Scholar
[19]	Ghosh S, Bao W, Nika D L, Subrina S, Pokatilov E P, Lau C N, Balandin A A 2010 Nat. Mater. 9 555 Google Scholar
[20]	Wei Z, Ni Z, Bi K, Chen M, Chen Y 2011 Carbon 49 2653 Google Scholar
[21]	Yu X X, Ma D K, Deng C C, Wan X, An M, Meng H, Li X B, Huang X M, Yang N 2021 Chin. Phys. Lett. 38 014401 Google Scholar
[22]	Li Z, Wang Y, Ma M, Ma H, Hu W, Zhang X, Zhuge Z, Zhang S, Luo K, Gao Y, Sun L, Soldatov A V, Wu Y, Liu B, Li B, Ying P, Zhang Y, Xu B, He J, Yu D, Liu Z, Zhao Z, Yue Y, Tian Y, Li X 2023 Nat. Mater. 22 42 Google Scholar
[23]	Peng B, Locascio M, Zapol P, Li S, Mielke S L, Schatz G C, Espinosa H D 2008 Nat. Nanotechnol. 3 626 Google Scholar
[24]	Kanasaki J, Inami E, Tanimura K, Ohnishi H, Nasu K 2009 Phys. Rev. Lett. 102 87402 Google Scholar
[25]	Kvashnin A G, Chernozatonskii L A, Yakobson B I, Sorokin P B 2014 Nano Lett. 14 676 Google Scholar
[26]	Rajabpour A, Vaez Allaei S M 2012 Appl. Phys. Lett. 101 53115 Google Scholar
[27]	Guo T, Sha Z, Liu X, Zhang G, Guo T, Pei Q, Zhang Y 2015 Appl. Phys. A 120 1275 Google Scholar
[28]	Yang L, Wan X, Ma D K, Jiang Y, Yang N 2021 Phys. Rev. B 103 155305 Google Scholar
[29]	宗志成, 潘东楷, 邓世琛, 万骁, 杨哩娜, 马登科, 杨诺 2023 72 034401 Google Scholar Song Z C, Pan D K, Deng S C, Wan X, Yang L N, Ma D K, Yang N 2023 Acta Phys. Sin. 72 034401 Google Scholar
[30]	Chen Y, Wan J, Chen Y, Qin H, Liu Y, Pei Q, Zhang Y 2023 Int. J. Therm. Sci. 183 107871 Google Scholar
[31]	Fan L, Yao W 2021 Diamond Relat. Mater. 118 108521 Google Scholar
[32]	Huang Y W, Feng W T, Yu X X, Deng C C, Yang N 2020 Chin. Phys. B 29 126303 Google Scholar
[33]	Feng W T, Yu X X, Wang Y, Ma D K, Sun Z J, Deng C C, Yang N 2019 Phys. Chem. Chem. Phys. 21 25072 Google Scholar
[34]	Plimpton S 1995 J. Comput. Phys. 117 1 Google Scholar
[35]	Stuart S J, Tutein A B, Harrison J A 2000 J. Chem. Phys. 112 6472 Google Scholar
[36]	Girifalco L A, Hodak M, Lee R S 2000 Phys. Rev. B 62 13104 Google Scholar
[37]	Xu X F, Pereira L F C, Wang Y, Wu J, Zhang K W, Zhao X M, Bae S, Tinh Bui C T, Xie R G, Thong J T L, Hong B H, Loh K P, Donadio D, Li B W, Ozyilmaz B 2014 Nat. Commun. 5 3689 Google Scholar
[38]	Hao F, Fang D, Xu Z 2011 Appl. Phys. Lett. 99 041901 Google Scholar
[39]	Wei N, Xu L, Wang H, Zheng J 2011 Nanotechnology 22 105705 Google Scholar
[40]	Polanco C A, Lindsay L 2018 Phys. Rev. B 98 014306 Google Scholar
[41]	Dong L, Wu X S, Hu Y, Xu X F, Bao H 2021 Chin. Phys. Lett. 38 027202 Google Scholar
[42]	Zhu G P, Zhao C W, Wang X W, Wang J 2021 Chin. Phys. Lett. 38 024401 Google Scholar
[43]	Guo Z, Zhang D, Gong X 2009 Appl. Phys. Lett. 95 163103 Google Scholar
[44]	Meng H, Maruyama S G, Xiang R, Yang N 2021 Int. J. Heat Mass Transfer 180 121773 Google Scholar
[45]	Xu K, Deng S C, Liang T, Cao X Z, Han M, Zeng X L, Zhang Z S, Yang N, Wu J Y 2022 Nanoscale 14 3078 Google Scholar
[46]	Wang X, Demir B, An M, Walsh T R, Yang N 2021 Int. J. Heat Mass Transfer 180 121821 Google Scholar
[47]	Mohiuddin T M G, Lombardo A, Nair R R, Bonetti A, Savini G, Jalil R, Bonini N, Basko D M, Galiotis C, Marzari N, Novoselov K S, Geim A K, Ferrari A C 2009 Phys. Rev. B 79 205433 Google Scholar

Cited By

图 1 (a) 非平衡分子动力学模拟模型图; (b) 模型侧视图; (c) 模型的局部放大图

Figure 1. (a) Model diagram of non- equilibrium molecular dynamics simulation; (b) model side view; (c) model partial enlarged view.

DownLoad: Full-Size Img PowerPoint

图 2 模拟系统的温度沿X方向分布

Figure 2. Distribution of temperature in the X-direction of the simulation system.

DownLoad: Full-Size Img PowerPoint

图 3 不同层间共价键浓度的模型图　(a) 层间共价键浓度为2.08%; (b) 层间共价键浓度为4.16%; (c) 层间共价键浓度为8.33%; (d) 层间共价键浓度为12.5%

Figure 3. Snapshot of model diagram of different interlayer covalent bond concentration: (a) interlayer covalent bond concentration of 2.08%; (b) interlayer covalent bond concentration of 4.16%; (c) interlayer covalent bond concentration of 8.33%; (d) interlayer covalent bond concentration of 12.5%

DownLoad: Full-Size Img PowerPoint

图 4 层间共价键浓度对热导率的影响

Figure 4. Influence of interlayer covalent bond concentration on thermal conductivity.

DownLoad: Full-Size Img PowerPoint

图 5 (a) 不同层间共价键浓度的双层石墨烯的面内PDOS; (b) 不同层间共价键浓度的双层石墨烯的面外PDOS; (c) 相同模型共价键区域和非共价键区域的面内PDOS; (d) 相同模型共价键区域和非共价键区域的面外PDOS

Figure 5. (a) In-plane PDOS of bilayer graphene with different interlayer covalent concentration; (b) the out-plane PDOS of bilayer graphene with different interlayer covalent concentration; (c) the in-plane PDOS of covalent and noncovalent bond regions in the same model; (d) the in-plane PDOS of covalent and noncovalent bond regions in the same model.

DownLoad: Full-Size Img PowerPoint

图 6 层间共价键链呈不同角度时的模型图　(a) 层间共价键链呈0°; (b) 层间共价键链呈30°; (c) 层间共价键链呈60°; (d) 层间共价键链呈90°

Figure 6. Snapshot of model diagram of interlayer covalent bond chain at different angles: (a) 0° interlayer covalent bond chain; (b) 30° interlayer covalent bond chain; (c) 60° interlayer covalent bond chain; (d) 90° interlayer covalent bond chain

DownLoad: Full-Size Img PowerPoint

图 7 层间共价键链的角度以及浓度对热导率的影响

Figure 7. Influences of the angle and concentration of the covalent bond chain on thermal conductivity.

DownLoad: Full-Size Img PowerPoint

图 8 (a) 不同的层间共价键浓度下应变对热导率的影响; (b) 不同层间共价键链角度下应变对热导率的影响

Figure 8. (a) Influence of strain on thermal conductivity with different interlayer covalent bond concentrations; (b) influence of strain on thermal conductivity with different interlayer covalent bond chain angle.

DownLoad: Full-Size Img PowerPoint

图 9 不同拉伸应变下具有层间共价键的双层石墨烯的面内声子态密度　(a) 层间共价键浓度为2.08%; (b) 层间共价键浓度为4.16%; (c) 层间共价键浓度为8.33%; (d) 层间共价键浓度为12.5%

Figure 9. In-plane PDOS of bilayer graphene with interlayer covalent bonds under different tensile strains: (a) Interlayer covalent bond concentration of 2.08%; (b) interlayer covalent bond concentration of 4.16%; (c) interlayer covalent bond concentration of 8.33%; (d) interlayer covalent bond concentration 12.5% interlayer covalent bond concentration.

DownLoad: Full-Size Img PowerPoint

map

[1]	Novoselov K S, Geim A K, Morozov S V, Jiang D, Zhang Y, Dubonos S V, Grigorieva I V, Firsov A A 2004 Science 306 666 Google Scholar
[2]	King A, Johnson G, Engelberg D, Ludwig W, Marrow J 2008 Science 321 382 Google Scholar
[3]	Novoselov K S, Morozov S V, Mohinddin T M G, Ponomarenko L A, Elias D C, Yang R, Barbolina I I, Blake P, Booth T J, Jiang D, Giesbers J, Hill E W, Geim A K 2007 Phys. Status Solidi B 244 4106 Google Scholar
[4]	Pop E, Varshney V, Roy A K 2012 MRS Bull. 37 1273 Google Scholar
[5]	Geim A K, Novoselov K S 2007 Nat. Mater. 6 183 Google Scholar
[6]	Wu T, Zhang X, Yuan Q, Xue J, Lu G, Liu Z, Wang H, Wang H, Ding F, Yu Q, Xie X, Jiang M 2016 Nat. Mater. 15 43 Google Scholar
[7]	Ghosh S, Calizo I, Teweldebrhan D, Pokatilov E P, Nika D L, Balandin A A, Bao W, Miao F, Lau C N 2008 Appl. Phys. Lett. 92 151911 Google Scholar
[8]	Nika D L, Ghosh S, Pokatilov E P, Balandin A A 2009 Appl. Phys. Lett. 94 203103 Google Scholar
[9]	Xu Y, Chen X, Gu B, Duan W 2009 Appl. Phys. Lett. 95 233116 Google Scholar
[10]	Hu J, Ruan X, Chen Y P 2009 Nano Lett. 9 2730 Google Scholar
[11]	Kong B D, Paul S, Nardelli M B, Kim K W 2009 Phys. Rev. B 80 033406 Google Scholar
[12]	Cao H, Guo Z, Xiang H, Gong X 2012 Phys. Lett. A 376 525 Google Scholar
[13]	Chien S, Yang Y, Chen C O 2011 Appl. Phys. Lett. 98 33107 Google Scholar
[14]	Pei Q, Sha Z, Zhang Y 2011 Carbon 49 4752 Google Scholar
[15]	杨平, 王晓亮, 李培, 王欢, 张立强, 谢方伟 2012 61 076501 Google Scholar Yang P, Wang X L, Li P, Wang H, Zhang L Q, Xie F W 2012 Acta Phys. Sin. 61 076501 Google Scholar
[16]	Morpurgo A F, Vandersypen L M K, Oostinga J B, Heersche H B, Liu X 2008 Nat. Mater. 7 151 Google Scholar
[17]	Deng C C, Huang Y W, An M, Yang N 2021 Mater. Today Phys. 16 100305 Google Scholar
[18]	潘东楷, 宗志成, 杨诺 2022 71 086302 Google Scholar Pan D K, Zong Z C, Yang N 2022 Acta Phys. Sin. 71 086302 Google Scholar
[19]	Ghosh S, Bao W, Nika D L, Subrina S, Pokatilov E P, Lau C N, Balandin A A 2010 Nat. Mater. 9 555 Google Scholar
[20]	Wei Z, Ni Z, Bi K, Chen M, Chen Y 2011 Carbon 49 2653 Google Scholar
[21]	Yu X X, Ma D K, Deng C C, Wan X, An M, Meng H, Li X B, Huang X M, Yang N 2021 Chin. Phys. Lett. 38 014401 Google Scholar
[22]	Li Z, Wang Y, Ma M, Ma H, Hu W, Zhang X, Zhuge Z, Zhang S, Luo K, Gao Y, Sun L, Soldatov A V, Wu Y, Liu B, Li B, Ying P, Zhang Y, Xu B, He J, Yu D, Liu Z, Zhao Z, Yue Y, Tian Y, Li X 2023 Nat. Mater. 22 42 Google Scholar
[23]	Peng B, Locascio M, Zapol P, Li S, Mielke S L, Schatz G C, Espinosa H D 2008 Nat. Nanotechnol. 3 626 Google Scholar
[24]	Kanasaki J, Inami E, Tanimura K, Ohnishi H, Nasu K 2009 Phys. Rev. Lett. 102 87402 Google Scholar
[25]	Kvashnin A G, Chernozatonskii L A, Yakobson B I, Sorokin P B 2014 Nano Lett. 14 676 Google Scholar
[26]	Rajabpour A, Vaez Allaei S M 2012 Appl. Phys. Lett. 101 53115 Google Scholar
[27]	Guo T, Sha Z, Liu X, Zhang G, Guo T, Pei Q, Zhang Y 2015 Appl. Phys. A 120 1275 Google Scholar
[28]	Yang L, Wan X, Ma D K, Jiang Y, Yang N 2021 Phys. Rev. B 103 155305 Google Scholar
[29]	宗志成, 潘东楷, 邓世琛, 万骁, 杨哩娜, 马登科, 杨诺 2023 72 034401 Google Scholar Song Z C, Pan D K, Deng S C, Wan X, Yang L N, Ma D K, Yang N 2023 Acta Phys. Sin. 72 034401 Google Scholar
[30]	Chen Y, Wan J, Chen Y, Qin H, Liu Y, Pei Q, Zhang Y 2023 Int. J. Therm. Sci. 183 107871 Google Scholar
[31]	Fan L, Yao W 2021 Diamond Relat. Mater. 118 108521 Google Scholar
[32]	Huang Y W, Feng W T, Yu X X, Deng C C, Yang N 2020 Chin. Phys. B 29 126303 Google Scholar
[33]	Feng W T, Yu X X, Wang Y, Ma D K, Sun Z J, Deng C C, Yang N 2019 Phys. Chem. Chem. Phys. 21 25072 Google Scholar
[34]	Plimpton S 1995 J. Comput. Phys. 117 1 Google Scholar
[35]	Stuart S J, Tutein A B, Harrison J A 2000 J. Chem. Phys. 112 6472 Google Scholar
[36]	Girifalco L A, Hodak M, Lee R S 2000 Phys. Rev. B 62 13104 Google Scholar
[37]	Xu X F, Pereira L F C, Wang Y, Wu J, Zhang K W, Zhao X M, Bae S, Tinh Bui C T, Xie R G, Thong J T L, Hong B H, Loh K P, Donadio D, Li B W, Ozyilmaz B 2014 Nat. Commun. 5 3689 Google Scholar
[38]	Hao F, Fang D, Xu Z 2011 Appl. Phys. Lett. 99 041901 Google Scholar
[39]	Wei N, Xu L, Wang H, Zheng J 2011 Nanotechnology 22 105705 Google Scholar
[40]	Polanco C A, Lindsay L 2018 Phys. Rev. B 98 014306 Google Scholar
[41]	Dong L, Wu X S, Hu Y, Xu X F, Bao H 2021 Chin. Phys. Lett. 38 027202 Google Scholar
[42]	Zhu G P, Zhao C W, Wang X W, Wang J 2021 Chin. Phys. Lett. 38 024401 Google Scholar
[43]	Guo Z, Zhang D, Gong X 2009 Appl. Phys. Lett. 95 163103 Google Scholar
[44]	Meng H, Maruyama S G, Xiang R, Yang N 2021 Int. J. Heat Mass Transfer 180 121773 Google Scholar
[45]	Xu K, Deng S C, Liang T, Cao X Z, Han M, Zeng X L, Zhang Z S, Yang N, Wu J Y 2022 Nanoscale 14 3078 Google Scholar
[46]	Wang X, Demir B, An M, Walsh T R, Yang N 2021 Int. J. Heat Mass Transfer 180 121821 Google Scholar
[47]	Mohiuddin T M G, Lombardo A, Nair R R, Bonetti A, Savini G, Jalil R, Bonini N, Basko D M, Galiotis C, Marzari N, Novoselov K S, Geim A K, Ferrari A C 2009 Phys. Rev. B 79 205433 Google Scholar

[1]	Yu Xin-Xiu, Li Duo-Sheng, Ye Yin, Lang Wen-Chang, Liu Jun-Hong, Chen Jing-Song, Yu Shuang-Shuang. Molecular dynamics simulation of effect of nickel transition layer on deposition of carbon atoms and graphene growth on cemented carbide surfaces. Acta Physica Sinica, 2024, 73(23): 238701. doi: 10.7498/aps.73.20241170
[2]	Liu Xiu-Cheng, Yang Zhi, Guo Hao, Chen Ying, Luo Xiang-Long, Chen Jian-Yong. Molecular dynamics simulation of thermal conductivity of diamond/epoxy resin composites. Acta Physica Sinica, 2023, 72(16): 168102. doi: 10.7498/aps.72.20222270
[3]	Li Ting, Bi Xiao-Yue, Kong Jing-Wen. Mechanical and thermal properties of phosphorene under shear deformation. Acta Physica Sinica, 2023, 72(12): 126201. doi: 10.7498/aps.72.20230084
[4]	Zheng Cui-Hong, Yang Jian, Xie Guo-Feng, Zhou Wu-Xing, Ouyang Tao. Effect of ion irradiation on thermal conductivity of phosphorene and underlying mechanism. Acta Physica Sinica, 2022, 71(5): 056101. doi: 10.7498/aps.71.20211857
[5]	Wang Fu, Zhou Yi, Gao Shi-Xin, Duan Zhen-Gang, Sun Zhi-Peng, Wang Jun, Zou Yu, Fu Bao-Qin. Molecular dynamics study of effects of point defects on thermal conductivity in cubic silicon carbide. Acta Physica Sinica, 2022, 71(3): 036501. doi: 10.7498/aps.71.20211434
[6]	. Effect of ion irradiation on thermal conductivity of phosphorene and underlying mechanism. Acta Physica Sinica, 2021, (): . doi: 10.7498/aps.70.20211857
[7]	. Effects of point defects on thermal conductivity in cubic silicon carbide: A molecular dynamics study. Acta Physica Sinica, 2021, (): . doi: 10.7498/aps.70.20211434
[8]	Xu Wen-Xue, Liang Xin-Gang, Xu Xiang-Hua, Zhu Yuan. Molecular dynamics simulation of effect of crosslinking on thermal conductivity of silicone rubber. Acta Physica Sinica, 2020, 69(19): 196601. doi: 10.7498/aps.69.20200737
[9]	Lan Sheng, Li Kun, Gao Xin-Yun. Based on the molecular dynamics characteristic research of heat conduction of graphyne nanoribbons with vacancy defects. Acta Physica Sinica, 2017, 66(13): 136801. doi: 10.7498/aps.66.136801
[10]	Zhang Jin-Ping, Zhang Yang-Yang, Li Hui, Gao Jing-Xia, Cheng Xin-Lu. Molecular dynamics investigation of thermite reaction behavior of nanostructured Al/SiO2 system. Acta Physica Sinica, 2014, 63(8): 086401. doi: 10.7498/aps.63.086401
[11]	Zheng Bo-Yu, Dong Hui-Long, Chen Fei-Fan. Characterization of thermal conductivity for GNR based on nonequilibrium molecular dynamics simulation combined with quantum correction. Acta Physica Sinica, 2014, 63(7): 076501. doi: 10.7498/aps.63.076501
[12]	Zhang Cheng-Bin, Cheng Qi-Kun, Chen Yong-Ping. Molecular dynamics simulation on thermal conductivity of nanocomposites embedded with fractal structure. Acta Physica Sinica, 2014, 63(23): 236601. doi: 10.7498/aps.63.236601
[13]	Hui Zhi-Xin, He Peng-Fei, Dai Ying, Wu Ai-Hui. Molecular dynamics simulation of the thermal conductivity of silicon functionalized graphene. Acta Physica Sinica, 2014, 63(7): 074401. doi: 10.7498/aps.63.074401
[14]	Huang Cong-Liang, Feng Yan-Hui, Zhang Xin-Xin, Li Jing, Wang Ge, Chou Ai-Hui. Thermal conductivity of metallic nanoparticle. Acta Physica Sinica, 2013, 62(2): 026501. doi: 10.7498/aps.62.026501
[15]	Li Wei, Feng Yan-Hui, Tang Jin-Jin, Zhang Xin-Xin. Thermal conductivity and thermal rectification of carbon nanotube Y junctions. Acta Physica Sinica, 2013, 62(7): 076107. doi: 10.7498/aps.62.076107
[16]	Yang Ping, Wang Xiao-Liang, Li Pei, Wang Huang, Zhang Li-Qiang, Xie Fang-Wei. The effect of doped nitrogen and vacancy on thermal conductivity of graphenenanoribbon from nonequilibrium molecular dynamics. Acta Physica Sinica, 2012, 61(7): 076501. doi: 10.7498/aps.61.076501
[17]	Yang Ping, Wu Yong-Sheng, Xu Hai-Feng, Xu Xian-Xin, Zhang Li-Qiang, Li Pei. Molecular dynamics simulation of thermal conductivity for the TiO2/ZnO nano-film interface. Acta Physica Sinica, 2011, 60(6): 066601. doi: 10.7498/aps.60.066601
[18]	Hou Quan-Wen, Cao Bing-Yang, Guo Zeng-Yuan. Thermal conductivity of carbon nanotube: From ballistic to diffusive transport. Acta Physica Sinica, 2009, 58(11): 7809-7814. doi: 10.7498/aps.58.7809
[19]	Wu Guo-Qiang, Kong Xian-Ren, Sun Zhao-Wei, Wang Ya-Hui. Molecular dynamics simulation on the out-of plane thermal conductivity of argon crystal thin films. Acta Physica Sinica, 2006, 55(1): 1-5. doi: 10.7498/aps.55.1
[20]	Bao Wen-Xing, Zhu Chang-Chun. Study of thermal conduction of carbon nanotube by molecular dynamics. Acta Physica Sinica, 2006, 55(7): 3552-3557. doi: 10.7498/aps.55.3552

Catalog

Vol. 72, Issue 24 - 2023-12-20

Metrics

Abstract views: 2666
PDF Downloads: 158
Cited By: 0

姓名
邮箱
手机号码
标题
留言内容
验证码

Search

Article

留言板