Ultra-efficient Heat Transport across a "2.5D" All-carbon sp2/sp3 Hybrid Interface.

Single- and few-layer graphene-based thermal interface materials (TIMs) with extraordinary high-temperature resistance and ultra-high thermal conductivity are very essential to develop the next-generation integrated circuits. However, the function of the as-prepared graphene-based TIMs would undergo severe degradation when being transferred to chips, as the interface between the TIMs and chips possesses a very small interfacial thermal conductance. Here, a "2.5D" all-carbon interface containing rich covalent bonding, namely a sp2/sp3 hybrid interfaces is designed and realized by a plasma-assisted chemical vapor deposition with a function of ultra-rapid quenching. The interfacial thermal conductance of the 2.5D interface is excitingly very high, up to 110-117 MWm-2K-1 at graphene thickness of 12-25 nm, which is even more than 30% higher than various metal/diamond contacts, and orders of magnitude higher than the existing all-carbon contacts. Atomic-level simulation confirm the key role of the efficient heat conduction via covalent C-C bonds, and reveal that the covalent-based heat transport could contribute 85% to the total interfacial conduction at a hybridization degree of 22 at%. This study provides an efficient strategy to design and construct 2.5D all-carbon interfaces, which can be used to develop high performance all-carbon devices and circuits.

Molecular Simulations of Thermal Transport across Iron Oxide-Hydrocarbon Interfaces.

The rational design of dielectric fluids for immersion cooling of batteries requires a molecular-level understanding of the heat flow across the battery casing/dielectric fluid interface. Here, we use nonequilibrium molecular dynamics (NEMD) simulations to quantify the interfacial thermal resistance (ITR) between hematite and poly-α-olefin (PAO), which are representative of the outer surface of the steel battery casing and a synthetic hydrocarbon dielectric fluid, respectively. After identifying the most suitable force fields to model the thermal properties of the individual components, we then compared different solid-liquid interaction potentials for the calculation of the ITR. These potentials resulted in a wide range of ITR values (4-21 K m2 GW-1), with stronger solid-liquid interactions leading to lower ITR. The increase in ITR is correlated with an increase in density of the fluid layer closest to the surface. Since the ITR has not been experimentally measured for the hematite/PAO interface, we validate the solid-liquid interaction potential using the work of adhesion calculated using the dry-surface method. The work of adhesion calculations from the simulations were compared to those derived from experimental contact angle measurements for PAO on steel. We find that all of the solid-liquid potentials overestimate the experimental work of adhesion. The experiments and simulations can only be reconciled by further reducing the strength of the interfacial interactions. This suggests some screening of the solid-liquid interactions, which may be due to the presence of an interfacial water layer between PAO and steel in the contact angle experiments. Using the solid-liquid interaction potential that reproduces the experimental work of adhesion, we obtain a higher ITR (33 K m2 GW-1), suggesting inefficient thermal transport. The results of this study demonstrate the potential for NEMD simulations to improve understanding of the nanoscale thermal transport across industrially important interfaces. This study represents an important step toward the rational design of more effective fluids for immersion cooling systems for electric vehicles and other applications where thermal management is of high importance.

Significantly Enhanced Interfacial Thermal Conductance across GaN/Diamond Interfaces Utilizing AlxGa1-xN as a Phonon Bridge.

Improving the thermal conductance at the GaN/diamond interface is crucial for boosting GaN-based device performance and reliability. In this study, first-principles calculations and molecular dynamics simulations were employed to explore the interfacial thermal conductance of GaN/diamond interfaces with AlxGa1-xN transition layers. The AlxGa1-xN alloy exhibits a lower thermal conductivity than GaN, primarily due to enhanced anharmonic phonon scattering. However, for the interfacial thermal conductance at the GaN/diamond interface, we discovered that introducing an AlxGa1-xN with a high Al concentration (x > 0.5) as a phonon bridge between GaN and diamond can significantly enhance the interfacial thermal conductance. In particular, it increases from 4.79 MW·m-2 K-1 to a maximum of 158 MW·m-2 K-1 at x = 0.75, surpassing the 152 MW·m-2 K-1 achieved by AlN. The AlxGa1-xN alloy has been confirmed computationally as a more efficient phonon bridge, which can provide a valuable theoretical reference for experimentally investigating the thermal management and thermal design of high-power electronic devices based on the GaN/diamond interface.

Heat transfer origin of adhesion behaviors between liquid-aluminum and solid aluminum/silicon interfaces.

Liquid-aluminum tends to adhere to some surfaces rather than others, and the underlying mechanism of the differences in adhesion of liquid-aluminum on different surfaces is still unclear. This manuscript takes liquid-aluminum/aluminum and liquid-aluminum/silicon interfaces as research objects, revealing that solid aluminum surface is aluminophilic but the solid silicon surface is aluminophobic, mainly due to differences in interfacial thermal conductance (ITC) between two interfaces. We also investigate effect of surface temperature on adhesion characteristics of liquid-aluminum on aluminum/silicon surfaces, and decode the reasons from lattice integrity and phonon spectra. It is shown that vibrational state with intact lattice excites fewer low frequency phonons with increasing surface temperature, resulting in a decrease in ITC and thus adhesion force. In diffusion state where lattice is fractured resulting from high temperature, interfacial adhesion is increased due to surface defects.

The impact of thermophysical properties on eflornithine drug solute in acetone and ethyl acetate solvent interactions at varying concentrations and temperatures.

The study was conducted on the impact of thermophysical properties on eflornithine drug solute-solvent interactions in aqueous ethyl acetate and acetone at different concentrations and temperatures. The aim of this study is to enhance the understanding of eflornithine's behavior in different solvents, which is crucial for its effective use in pharmaceutical applications. The density, molar volume, viscometric, and conductometric characteristics of the eflornithine drug solutions (0.025, 0.05, 0.075, 0.1, and 0.125 mol/kg) in acetone and 25% (v/v) aqueous ethyl acetate were measured within a temperature range of 298.15 K-318.15 K. Based on the determined density parameters, the following parameters were assessed: viscosity (η), equivalent molar conductance, limiting apparent molar volume (V0φ), apparent molar volume of transfer (V0φtr), and apparent molar volume (Vφ). The Masson empirical relationship and the viscosity-to-Jones-Dole (JD) equation were used to evaluate the partial molar volume (Vφ), experimental slope (SV), viscosity, and density data. Temperature and concentration were used to determine each parameter. For each set of dilutions, conductometric studies were conducted in both study solvents. The gathered data was analyzed in order to evaluate the ion-solvent interactions. The Walden product Λomηo's positive temperature coefficient values indicate that the drug eflornithine functions as a structural modifier in acetone and aqueous acetyl acetate systems. The structure-making and breaking characteristics of the polar solvents acetone and ethyl acetate were identified.

The effect of temperature oscillations on energy storage rectification in harmonic systems.

Rectification, the preferential transport of a current in one direction through a system, has garnered significant attention in molecules because of its importance for controlling thermal and electronic currents at the nanoscale. Here, we report the presence of energy storage rectification effects in a molecular chain. This phenomenon is generated by subjecting a harmonic molecular chain to an oscillating temperature gradient and showing that the energy absorption rate of the system depends on the direction of the gradient. We examine how the energy storage rectification ratios in the chain are affected by the oscillating gradient, asymmetry in the chain, and the system parameters. We find that energy storage rectification can be observed in harmonic lattice structures with time-dependent temperatures and that, correspondingly, anharmonicity is not required to generate this rectification mechanism in such systems.

Effect of solder void on mechanical and thermal properties of flip-chip light-emitting diode: Statistical analysis based on finite element modeling.

With the increasing demand for highly efficient lighting in the automotive industry, flip-chip light-emitting diodes (LEDs) have become widely used for both interior and exterior lighting. Solder, serving as a crucial interconnecting material, often develops voids during the reflow process, compromising the integrity and reliability of the connections. Thus, understanding the impact of these voids on the mechanical and thermal properties of the product is vital for improving reliability accuracy. This work employs computational methods alongside experimental approaches to address the challenges of replicating solder voids and controlling the solder void fraction. A comprehensive study investigates the effects of solder voids on shearing properties and thermal conductance. Random voids were introduced into the solder pads of an LED assembly within a finite element model (FEM), leading to predictions of maximum shear stress and LED junction temperature. The findings correlate well with the experimental data, validating the FEM's applicability. Furthermore, a statistical analysis was conducted to explore the relationship between solder void fraction, position, and size, aiming to provide objective guidelines for analyzing soldered assembly tomography in reliability assessments.

One Stone Two Birds: Anomalously Enhancing the Cross-Plane and In-Plane Heat Transfer in 2D/3D Heterostructures by Defects Engineering.

This study addresses a crucial challenge in two-dimensional (2D) material-based electronic devices-inefficient heat dissipation across the van der Waals (vdW) interface connecting the 2D material to its three-dimensional (3D) substrate. The objective is to enhance the interfacial thermal conductance (ITC) of 2D/3D heterostructures without compromising the intrinsic thermal conductivities (κ) of 2D materials. Using 2D-MoS2/3D-GaN as an example, a novel strategy to enhance both the ITC across 2D/3D interface and κ of 2D material is proposed by introducing a controlled concentration (ρ) of vacancy defects to substrate's bottom surface. Molecular dynamics simulations demonstrate a notable 2.1-fold higher ITC of MoS2/GaN at ρ = 4% compared to the no-defective counterpart, along with an impressive 56% enhancement in κ of MoS2 compared to the conventional upper surface modification approaches. Phonon dynamics analysis attributes the ITC enhancement to increased phonon coupling between MoS2 and GaN, resulting from polarization conversion and hybridization of phonons at the defective surface. Spectral energy density analysis affirms that the improved κ of MoS2 directly results from the proposed strategy, effectively reducing phonon scattering at the interface. This work provides an effective approach for enhancing heat transfer in 2D/3D vdW heterostructures, promisingly advancing electronics' heat dissipation.

Thermal transport in fullerene-based molecular junctions: molecular dynamics simulations.

We investigate phonon thermal transport of fullerene-based single-molecule junctions by employing classical molecular dynamics (MD) simulations. We compute the thermal conductances of C60fullerene monomers, dimers, and trimers utilizing three distinct MD methods. We observe the equilibration dynamics in one approach, and employ two other nonequilibrium steady state simulation methods. We discuss technical aspects of each simulation technique, and show that their predictions for the thermal conductance agree. Our simulations reveal that while the thermal conductance of fullerene monomer and dimer junctions remains similar, that of trimer junctions experiences a significant reduction. This study could assist in the design of high-performing thermoelectric junctions, where low thermal conductance is desired.

Moiré Pattern Controlled Phonon Polarizer Based on Twisted Graphene.

Twisted van der Waals materials featuring Moiré patterns present new design possibilities and demonstrate unconventional behaviors in electrical, optical, spintronic, and superconducting properties. However, experimental exploration of thermal transport across Moiré patterns has not been as extensive, despite its critical role in nanoelectronics, thermal management, and energy technologies. Here, the first experimental study is conducted on thermal transport across twisted graphene, demonstrating a phonon polarizer concept from the rotational misalignment between stacked layers. The direct thermal and acoustic measurements, structural characterizations, and atomistic modeling, reveal a modulation up to 631% in thermal conductance with various Moiré angles, while maintaining a high acoustic transmission. By comparing experiments with density functional theory and molecular dynamics simulations, mode-dependent phonon transmissions are quantified based on the angle alignment of graphene band structures and attributed to the coupling among flexural phonon modes. The agreement confirms the dominant tuning mechanisms in adjusting phonon transmission from high-frequency thermal modes while having negligible effects on low-frequency acoustic modes near Brillouin zone center. This study offers crucial insights into the fundamental thermal transport in Moiré structures, opening avenues for the invention of quantum thermal devices and new design methodologies based on manipulations of vibrational band structures and phonon spectra.

Phonon Scattering Engineered Unconventional Thermal Radiation at the Nanoscale.

We show that engineering phonon scattering, such as through isotope enrichment and temperature modulation, offers the potential to achieve unconventional radiative heat transfer between two boron arsenide bulks at the nanoscale, which holds promise in applications for nonlinear thermal circuit components. A heat flux regulator is proposed, where the temperature window for stabilized heat flux exhibits a wide tunability through phonon scattering engineering. Additionally, we propose several other nonlinear thermal radiative devices, including a negative differential thermal conductance device, a temperature regulator, and a thermal diode, all benefiting from the design space enabled by isotope and temperature engineering of the phonon linewidth. Our work highlights the capability of temperature and isotope engineering in designing and optimizing nonlinear radiative thermal devices and demonstrates the potential of phonon engineering in thermal radiative transport.

Thermal acclimation in a non-migratory songbird occurs via changes to thermogenic capacity, but not conductance.

Thermoregulatory performance can be modified through changes in various subordinate traits, but the rate and magnitude of change in these traits is poorly understood. We investigated flexibility in traits that affect thermal balance between black-capped chickadees (Poecile atricapillus) acclimated for 6 weeks to cold (-5°C) or control (23°C) environments (n=7 per treatment). We made repeated measurements of basal and summit metabolic rates via flow-through respirometry and of body composition using quantitative magnetic resonance of live birds. At the end of the acclimation period, we measured thermal conductance of the combined feathers and skins. Cold-acclimated birds had a higher summit metabolic rate, reflecting a greater capacity for endogenous heat generation, and an increased lean mass. However, birds did not alter their thermal conductance. These results suggest that chickadees respond to cold stress by increasing their capacity for heat production rather than increasing heat retention, an energetically expensive strategy.

Ultrafast Switching of Interfacial Thermal Conductance.

Dynamical control of thermal transport at the nanoscale provides a time-domain strategy for optimizing thermal management in nanoelectronics, magnetic devices, and thermoelectric devices. However, the rate of change available for thermal switches and regulators is limited to millisecond time scales, calling for a faster modulation speed. Here, time-resolved X-ray diffraction measurements and thermal transport modeling reveal an ultrafast modulation of the interfacial thermal conductance of an FeRh/MgO heterostructure as a result of a structural phase transition driven by optical excitation. Within 90 ps after optical excitation, the interfacial thermal conductance is reduced by a factor of 5 and lasts for a few nanoseconds, in comparison to the value at the equilibrium FeRh/MgO interface. The experimental results combined with thermal transport calculations suggest that the reduced interfacial thermal conductance results from enhanced phonon scattering at the interface where the lattice experiences transient in-plane biaxial stress due to the structural phase transition of FeRh. Our results suggest that optically driven phase transitions can be utilized for ultrafast nanoscale thermal switches for device application.

Body mass is associated with hibernation length, body temperature, and heart rate in free-ranging brown bears.

BACKGROUND: Despite centuries of research, debate remains on the scaling of metabolic rate to mass especially for intraspecific cases. The high variation of body mass within brown bears presents a unique opportunity to study the intraspecific effects of body mass on physiological variables. The amplitude of metabolic rate reduction in hibernators is dependent on body mass of the species. Small hibernators have high metabolic rates when euthermic but experience a drastic decrease in body temperature during torpor, which is necessary to reach a very low metabolic rate. Conversely, large hibernators, such as the brown bear (Ursus arctos), show a moderate decrease in temperature during hibernation, thought to be related to the bear's large size. We studied body mass, abdominal body temperature, heart rate, and accelerometer-derived activity from 63 free-ranging brown bears (1-15 years old, 15-233 kg). We tested for relationships between body mass and body temperature, heart rate, and hibernation duration. RESULTS: The smallest individuals maintained lower body temperatures during hibernation, hibernated longer, and ended hibernation later than large bears. Unlike body temperature, winter heart rates were not associated with body mass. In summer, the opposite pattern was found, with smaller individuals having higher body temperature and daytime heart rates. Body mass was associated with body temperature in the winter hypometabolic state, even in a large hibernating mammal. Smaller bears, which are known to have higher thermal conductance, reached lower body temperatures during hibernation. During summer, smaller bears had higher body temperatures and daytime heart rates, a phenomenon not previously documented within a single mammalian species. CONCLUSION: We conclude that the smallest bears hibernated more deeply and longer than large bears, likely from a combined effect of basic thermodynamics, the higher need for energy savings, and a lower cost of warming up a smaller body.

Unraveling Thermal Transport Properties of MoTe2 Thin Films Using the Optothermal Raman Technique.

Understanding phonon transport and thermal conductivity of layered materials is not only critical for thermal management and thermoelectric energy conversion but also essential for developing future optoelectronic devices. Optothermal Raman characterization has been a key method to identify the properties of layered materials, especially transition-metal dichalcogenides. This work investigates the thermal properties of suspended and supported MoTe2 thin films using the optothermal Raman technique. We also report the investigation of the interfacial thermal conductance between the MoTe2 crystal and the silicon substrate. To extract the thermal conductivity of the samples, temperature- and power-dependent measurements of the in-plane E2g1 and out-of-plane A1g optical phonon modes were performed. The results show remarkably low in-plane thermal conductivities at room temperature, at around 5.16 ± 0.24 W/m·K and 3.72 ± 0.26 W/m·K for the E2g1 and the A1g modes, respectively, for the 17 nm thick sample. These results provide valuable input for the design of electronic and thermal MoTe2-based devices where thermal management is vital.

Theoretical Strategy for Interface Design and Thermal Performance Prediction in Diamond/Aluminum Composite Based on Scattering-Mediated Acoustic Mismatch Model.

Inserting modification layers at the diamond/Al interface is an effective technique in improving the interfacial thermal conductance (ITC) of the composite. However, few study reports the effect of interfacial structure on the thermal conductivity (TC) of diamond/Al composites at room temperature. Herein, the scattering-mediated acoustic mismatch model, suitable for evaluating the ITC at room temperature, is utilized to predict the TC performance of the diamond/Al composite. According to the practical microstructure of the composites, the reaction products at diamond/Al interface on the TC performance are concerned. Results indicate that the TC of the diamond/Al composite is dominantly affected by the thickness, the Debye temperature and the TC of the interfacial phase, meeting with multiple documented results. This work provides a method to assess the interfacial structure on the TC performance of metal matrix composite at room temperature.

Differentiating Thermal Conductances at Semiconductor Nanocrystal/Ligand and Ligand/Solvent Interfaces in Colloidal Suspensions.

Infrared-pump, electronic-probe (IPEP) spectroscopy is used to measure heat flow into and out of CdSe nanocrystals suspended in an organic solvent, where the surface ligands are initially excited with an infrared pump pulse. Subsequently, the heat is transferred from the excited ligands to the nanocrystals and in parallel to the solvent. Parallel heat transfer in opposite directions uniquely enables us to differentiate the thermal conductances at the nanocrystal/ligand and ligand/solvent interfaces. Using a novel solution to the heat diffusion equation, we fit the IPEP data to find that the nanocrystal/ligand conductances range from 88 to 135 MW m-2 K-1 and are approximately 1 order of magnitude higher than the ligand/solvent conductances, which range from 7 to 26 MW m-2 K-1. Transient nonequilibrium molecular dynamics (MD) simulations of nanocrystal suspensions agree with IPEP data and show that ligands bound to the nanocrystal by bidentate bonds have more than twice the per-ligand conductance as those bound by monodentate bonds.

Seasonal variation in thermoregulatory capacity of three closely related Afrotropical Estrildid finches introduced to Europe.

A species' potential geographical range is largely determined by how the species responds physiologically to its changing environment. It is therefore crucial to study the physiological mechanisms that species use to maintain their homeothermy in order to address biodiversity conservation challenges, such as the success of invasions of introduced species. The common waxbill Estrilda astrild, the orange-cheeked waxbill E. melpoda, and the black-rumped waxbill E. troglodytes are small Afrotropical passerines that have established invasive populations in regions where the climate is colder than in their native ranges. As a result, they are highly suitable species for studying potential mechanisms for coping with a colder and more variable climate. Here, we investigated the magnitude and direction of seasonal variation in their thermoregulatory traits, such as basal (BMR), summit (Msum) metabolic rates and thermal conductance. We found that, from summer to autumn, their ability to resist colder temperatures increased. This was not related to larger body masses or higher BMR and Msum, but instead, species downregulated BMR and Msum toward the colder season, suggesting energy conservation mechanisms to increase winter survival. BMR and Msum were most strongly correlated with temperature variation in the week preceding the measurements. Common waxbill and black-rumped waxbill, whose native ranges encompass the highest degree of seasonality, showed the most flexibility in metabolic rates (i.e., stronger downregulation toward colder seasons). This ability to adjust thermoregulatory traits, combined with increased cold tolerance, may facilitate their establishment in areas characterized by colder winters and less predictable climates.

Electro-thermal numerical analysis of microbolometer over various kinds of design structure under adjustable thermal conductance in the Microeletromechanical system.

The microbolometer is an important device that has a variety of civilian, industrial, and military applications, especially in remote sensing and night vision. Microbolometers are sensor elements in uncooled infrared sensors, which makes the uncooled infrared sensors have the advantage of being smaller in size, light in weight and less expensive compared with cooled infrared sensors. If the microbolometers are arranged in a two-dimensional array, a thermo-graph of the object can be determined using a microbolometer based uncooled infrared sensor. Building the electro-thermal modeling over the microbolometer pixel is essential to determine the uncooled infrared sensor's performance, optimize the sensor's design structure and monitor its condition. Due to the fact that the knowledge for the complex semiconductor-material-based microbolometers over various kinds of design structures with the adjustable thermal conductance is limited so far, this work focuses on the thermal distribution first by considering factors of the radiation absorption, thermal conductance, convection feature and joule heating on varied geometry design structures using Finite Element Analysis (FEA) methods. Then the change of thermal conductance is depicted when the simulated voltage is applied quantitatively between the microplate and electrode through the dynamic interaction of the electro force and the structure deformation via the electro particles redistribution balance by utilizing the Microeletromechanical system (MEMS). In addition, a more accurate contact voltage is derived through the numerical simulation compared with the previous theoretical value and is also verified by the experiment.

The Microzone Structure Regulation of Diamond/Cu-B Composites for High Thermal Conductivity: Combining Experiments and First-Principles Calculations.

The interface microzone characteristics determine the thermophysical properties of diamond/Cu composites, while the mechanisms of interface formation and heat transport still need to be revealed. Here, diamond/Cu-B composites with different boron content were prepared by vacuum pressure infiltration. Diamond/Cu-B composites up to 694 W/(mK) were obtained. The interfacial carbides formation process and the enhancement mechanisms of interfacial heat conduction in diamond/Cu-B composites were studied by HRTEM and first-principles calculations. It is demonstrated that boron can diffuse toward the interface region with an energy barrier of 0.87 eV, and these elements are energetically favorable to form the B4C phase. The calculation of the phonon spectrum proves that the B4C phonon spectrum is distributed in the range of the copper and diamond phonon spectrum. The overlapping of phonon spectra and the dentate structure together enhance the interface phononic transport efficiency, thereby improving the interface thermal conductance.