We report the thermal conductance induced by few-layered graphene (G) sandwiched between β-phase tungsten (β-W) films of 15, 30 and 40 nm thickness. Our differential characterization is able to distinguish the thermal conductance of β-W film and β-W/G interface. The cross-plane thermal conductivity (k) of β-W films is determined at 1.69~2.41 WmK which is much smaller than that of α-phase tungsten (174 WmK). This small value is consistent with the large electrical resistivity reported for β-W in literatures and in this work. The β-W/β-W and β-W/G interface thermal conductance (G and G ) are characterized and compared using multilayered β-W films with and without sandwiched graphene layers. The average G is found to be at 280 MW mK. G features strong variation from sample to sample, and has a lower-limit of 84 MW mK, taking into consideration of the uncertainties. This is attributed to possible graphene structure damage and variation during graphene transfer and W sputtering. The difference between G and G uncovers the finite thermal resistance induced by the graphene layer. Compared with up-to-date reported graphene interface thermal conductance, the β-W/G interface is at the high end in terms of local energy coupling.
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http://dx.doi.org/10.1038/s41598-017-12389-1 | DOI Listing |
Nanotechnology
January 2025
Department of Electrical and Computer Engineering, Nazarbayev University, Nazarbayev University, Astana, Kazakhstan, Astana, 010000, KAZAKHSTAN.
Non-equilibrium molecular dynamics (NEMD) simulations reveal the existence of a spontaneous heat current (SHC) in the absence of a temperature gradient and demonstrate ultra-high thermal rectification in asymmetric trapezoid-shaped graphene. These unique properties have potential applications in power generation and thermal circuits, functioning as thermal diodes. Our findings also show the presence of negative and zero thermal conductivity in this system.
View Article and Find Full Text PDFJ Chem Inf Model
January 2025
251 Nieuwland Science Hall, Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.
Thermal transport coefficients, notably the interfacial thermal conductance, were determined in planar and spherical gold interfaces functionalized with CTAB (cetyltrimethylammonium bromide) or MTAB (16-mercapto-hexadecyl-trimethylammonium bromide) using reverse nonequilibrium molecular dynamics (RNEMD) methods. The systems of interest included (111), (110), and (100) planar facets as well as nanospheres ( = 10 Å). The effect of metal polarizability was investigated through the implementation of the density-readjusted embedded atom model (DR-EAM), a polarizable metal potential.
View Article and Find Full Text PDFNano Lett
January 2025
Materials Science and Technology Division, Oak Ridge National Laboratory, 1 Bethel Valley Rd, Oak Ridge, Tennessee 37831, United States.
Thermally driven transitions between ferromagnetic and paramagnetic phases are characterized by critical behavior with divergent susceptibilities, long-range correlations, and spin dynamics that can span kHz to GHz scales as the material approaches the critical temperature , but it has proven technically challenging to probe the relevant length and time scales with most conventional measurement techniques. In this study, we employ scanning nitrogen-vacancy center based magnetometry and relaxometry to reveal the critical behavior of a high- ferromagnetic oxide near its Curie temperature. Cluster analysis of the measured temperature-dependent nanoscale magnetic textures points to a 3D universality class with a correlation length that diverges near .
View Article and Find Full Text PDFJ Mol Model
January 2025
Departamento de Investigación y Desarrollo, ConsultoresAcademicos SpA, Moneda 1137, 8340457, Santiago, Chile.
Context: This study meticulously examines the criteria for assigning electron rearrangements along the intrinsic reaction coordinate (IRC) leading to bond formation and breaking processes during the pyrolytic isomerization of cubane (CUB) to 1,3,5,7-cyclooctatetraene (COT) from both thermochemical and bonding perspectives. Notably, no cusp-type function was detected in the initial thermal conversion step of CUB to bicyclo[4.2.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2025
Suzhou Institute of Nano-Tech and Nano-Bionics (SINANO), Chinese Academy of Sciences, Suzhou 215123, China.
In the study of GaN/AlGaN heterostructure thermal transport, the interference of strain on carriers cannot be ignored. Although existing research has mainly focused on the intrinsic electronic and phonon behavior of the materials, there is a lack of studies on the transport characteristics of the electron-phonon coupling in heterostructures under strain control. This research comprehensively applies first-principles calculations and the Boltzmann transport equation simulation method to deeply analyze the thermal transport mechanism of the GaN/AlGaN heterojunction considering in-plane strain, with particular attention to the regulatory role of electron-phonon coupling on thermal transport.
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