The drive for efficient thermal management has intensified with the miniaturization of electronic devices.This study explores the modulation of phonon transport within graphene by introducing silicon nanoparticles inf...The drive for efficient thermal management has intensified with the miniaturization of electronic devices.This study explores the modulation of phonon transport within graphene by introducing silicon nanoparticles influenced by van der Waals forces.Our approach involves the application of non-equilibrium molecular dynamics to assess thermal conductivity while varying the interaction strength,leading to a noteworthy reduction in thermal conductivity.Furthermore,we observe a distinct attenuation in length-dependent behavior within the graphene-nanoparticles system.Our exploration combines wave packet simulations with phonon transmission calculations,aligning with a comprehensive analysis of the phonon transport regime to unveil the underlying physical mechanisms at play.Lastly,we conduct transient molecular dynamics simulations to investigate interfacial thermal conductance between the nanoparticles and the graphene,revealing an enhanced thermal boundary conductance.This research not only contributes to our understanding of phonon transport but also opens a new degree of freedom for utilizing van der Waals nanoparticle-induced resonance,offering promising avenues for the modulation of thermal properties in advanced materials and enhancing their performance in various technological applications.展开更多
Recent research has focused on using Anderson's localization concept to modulate coherent phonon transport by introducing disorder into periodic structures.However,designing and identifying the disorder's stre...Recent research has focused on using Anderson's localization concept to modulate coherent phonon transport by introducing disorder into periodic structures.However,designing and identifying the disorder's strength remain challenging,and visual evidence characterizing phonon localization is lacking.Here,we investigate the effect of disorder on coherent phonon transport in a two-dimensional Janus MoSSe/WSSe superlattice with a defined disorder strength.Using non-equilibrium molecular dynamics,we demonstrate that strong disorder can lead to strong phonon localization,as evidenced by smaller thermal conductivity and significantly different dependence on defect ratio in strongly disordered structures.Furthermore,we propose a novel defect engineering method to determine whether phonon localization occurs.Our work provides a unique platform for modulating coherent phonon transport and presents visual evidence of the phonon transition from localization to nonlocalization.These findings will contribute to development of phonon transport and even phononics,which are essential for thermoelectric and phononic applications.展开更多
基金funded in parts by the National Natural Science Foundation of China (Grant No.12105242)Yunnan Fundamental Research Project (Grant Nos.202201AT070161 and 202301AW070006)support from the Graduate Scientific Research and Innovation Fund of Yunnan University (Grant No.KC-22221060)。
文摘The drive for efficient thermal management has intensified with the miniaturization of electronic devices.This study explores the modulation of phonon transport within graphene by introducing silicon nanoparticles influenced by van der Waals forces.Our approach involves the application of non-equilibrium molecular dynamics to assess thermal conductivity while varying the interaction strength,leading to a noteworthy reduction in thermal conductivity.Furthermore,we observe a distinct attenuation in length-dependent behavior within the graphene-nanoparticles system.Our exploration combines wave packet simulations with phonon transmission calculations,aligning with a comprehensive analysis of the phonon transport regime to unveil the underlying physical mechanisms at play.Lastly,we conduct transient molecular dynamics simulations to investigate interfacial thermal conductance between the nanoparticles and the graphene,revealing an enhanced thermal boundary conductance.This research not only contributes to our understanding of phonon transport but also opens a new degree of freedom for utilizing van der Waals nanoparticle-induced resonance,offering promising avenues for the modulation of thermal properties in advanced materials and enhancing their performance in various technological applications.
基金supported by the National Natural Science Foundation of China(Grant Nos.12105242,12204405)the Yunnan Fundamental Research Project(Grant Nos.202201AT070161,202301AW070006,202301AT070108)the Graduate Scientific Research and Innovation Fund of Yunnan University(Grant No.KC-22221061)。
文摘Recent research has focused on using Anderson's localization concept to modulate coherent phonon transport by introducing disorder into periodic structures.However,designing and identifying the disorder's strength remain challenging,and visual evidence characterizing phonon localization is lacking.Here,we investigate the effect of disorder on coherent phonon transport in a two-dimensional Janus MoSSe/WSSe superlattice with a defined disorder strength.Using non-equilibrium molecular dynamics,we demonstrate that strong disorder can lead to strong phonon localization,as evidenced by smaller thermal conductivity and significantly different dependence on defect ratio in strongly disordered structures.Furthermore,we propose a novel defect engineering method to determine whether phonon localization occurs.Our work provides a unique platform for modulating coherent phonon transport and presents visual evidence of the phonon transition from localization to nonlocalization.These findings will contribute to development of phonon transport and even phononics,which are essential for thermoelectric and phononic applications.
