Thermal transport in shear-wrinkled hexagonal boron nitride
This study examines the effects of shear induced wrinkles on the thermal transport properties of hexagonal boron nitride (hBN) ribbons. Reverse nonequilibrium molecular dynamics simulations were performed using a Tersoff force field to estimate the thermal conductivity of both undeformed and shear-w...
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| Format: | Article |
| Language: | English |
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Elsevier
2025-07-01
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| Series: | Case Studies in Thermal Engineering |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2214157X25004599 |
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| author | Jungkyu Park Fahim Dorsey Aayush Patel Donghwa Jeong |
| author_facet | Jungkyu Park Fahim Dorsey Aayush Patel Donghwa Jeong |
| author_sort | Jungkyu Park |
| collection | DOAJ |
| description | This study examines the effects of shear induced wrinkles on the thermal transport properties of hexagonal boron nitride (hBN) ribbons. Reverse nonequilibrium molecular dynamics simulations were performed using a Tersoff force field to estimate the thermal conductivity of both undeformed and shear-wrinkled hBN nanoribbons of various widths and lengths. The results indicate that the impact of shear induced wrinkling on thermal conductivity is more evident in narrower ribbons, where lattice distortion and bond stretching are more severe. In contrast, wider ribbons exhibit relatively milder distortions and thus less reduction in heat dissipation capability. Notably, the bulk thermal conductivity of the narrowest hBN ribbon simulated in the present study decreased by 47 % at a shear strain of 0.3 compared to its undeformed structure, whereas the widest ribbon simulated in the present research study showed only a 25 % reduction. Phonon density of states analyses revealed substantial alterations in low-frequency acoustic phonons under shear-wrinkling, with flexural acoustic modes identified as the primary contributors to thermal performance degradation. The findings of this study are expected to inform the design of new materials with improved heat dissipation capabilities for flexible electronics. |
| format | Article |
| id | doaj-art-ca0bc65ab6d44671a86a57abbb93583c |
| institution | Kabale University |
| issn | 2214-157X |
| language | English |
| publishDate | 2025-07-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Case Studies in Thermal Engineering |
| spelling | doaj-art-ca0bc65ab6d44671a86a57abbb93583c2025-08-20T03:55:17ZengElsevierCase Studies in Thermal Engineering2214-157X2025-07-017110619910.1016/j.csite.2025.106199Thermal transport in shear-wrinkled hexagonal boron nitrideJungkyu Park0Fahim Dorsey1Aayush Patel2Donghwa Jeong3Corresponding author.; Department of Mechanical Engineering, Kennesaw State University, Marietta, GA, USADepartment of Mechanical Engineering, Kennesaw State University, Marietta, GA, USADepartment of Mechanical Engineering, Kennesaw State University, Marietta, GA, USADepartment of Mechanical Engineering, Kennesaw State University, Marietta, GA, USAThis study examines the effects of shear induced wrinkles on the thermal transport properties of hexagonal boron nitride (hBN) ribbons. Reverse nonequilibrium molecular dynamics simulations were performed using a Tersoff force field to estimate the thermal conductivity of both undeformed and shear-wrinkled hBN nanoribbons of various widths and lengths. The results indicate that the impact of shear induced wrinkling on thermal conductivity is more evident in narrower ribbons, where lattice distortion and bond stretching are more severe. In contrast, wider ribbons exhibit relatively milder distortions and thus less reduction in heat dissipation capability. Notably, the bulk thermal conductivity of the narrowest hBN ribbon simulated in the present study decreased by 47 % at a shear strain of 0.3 compared to its undeformed structure, whereas the widest ribbon simulated in the present research study showed only a 25 % reduction. Phonon density of states analyses revealed substantial alterations in low-frequency acoustic phonons under shear-wrinkling, with flexural acoustic modes identified as the primary contributors to thermal performance degradation. The findings of this study are expected to inform the design of new materials with improved heat dissipation capabilities for flexible electronics.http://www.sciencedirect.com/science/article/pii/S2214157X25004599Hexagonal boron nitrideWrinkleThermal conductivityShear strainMolecular dynamics |
| spellingShingle | Jungkyu Park Fahim Dorsey Aayush Patel Donghwa Jeong Thermal transport in shear-wrinkled hexagonal boron nitride Case Studies in Thermal Engineering Hexagonal boron nitride Wrinkle Thermal conductivity Shear strain Molecular dynamics |
| title | Thermal transport in shear-wrinkled hexagonal boron nitride |
| title_full | Thermal transport in shear-wrinkled hexagonal boron nitride |
| title_fullStr | Thermal transport in shear-wrinkled hexagonal boron nitride |
| title_full_unstemmed | Thermal transport in shear-wrinkled hexagonal boron nitride |
| title_short | Thermal transport in shear-wrinkled hexagonal boron nitride |
| title_sort | thermal transport in shear wrinkled hexagonal boron nitride |
| topic | Hexagonal boron nitride Wrinkle Thermal conductivity Shear strain Molecular dynamics |
| url | http://www.sciencedirect.com/science/article/pii/S2214157X25004599 |
| work_keys_str_mv | AT jungkyupark thermaltransportinshearwrinkledhexagonalboronnitride AT fahimdorsey thermaltransportinshearwrinkledhexagonalboronnitride AT aayushpatel thermaltransportinshearwrinkledhexagonalboronnitride AT donghwajeong thermaltransportinshearwrinkledhexagonalboronnitride |