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Results for “Thermal Interface Conductance”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Thermal Interface Conductance Between Aluminum and Silicon by Molecular Dynamics Simulations

The thermal interface conductance between Al and Si was simulated by a non-equilibrium molecular dynamics method. In the simulations, the coupling between electrons and phonons in Al are considered by using a stochastic force. The findings demonstrate the size dependence of the interface thermal conductance and the effect of electron–phonon coupling on the interface thermal conductance. To understand the mechanism of interface resistance, the vibration power spectra are calculated. We postulate that the atomic level disorder near the interface is an important aspect of interfacial phonon transport, which leads to a modification of the phonon states near the interface. There, the vibrational spectrum near the interface greatly differs from the bulk. This change in the vibrational spectrum affects the results predicted by AMM and DMM theories and indicates new physics is involved with phonon transport across interfaces.

42 ENGINEERING↗
DOE OSTI2017

Effects of basal-plane thermal conductivity and interface thermal conductance on the hot spot temperature in graphene electronic devices

In this study, electrostatic force microscopy and scanning thermal microscopy are employed to investigate the electric transport and localized heating around defects introduced during transfer of graphene grown by chemical vapor deposition to an oxidized Si substrate. Numerical and analytical models are developed to explain the results based on the reported basal-plane thermal conductivity, κ, and interfacial thermal conductance, G , of graphene and to investigate their effects on the peak temperature. Irrespective of the κ values, increasing G beyond 4 × 10 7 W m –2 K –1 can reduce the peak temperature effectively for graphene devices made on sub-10 nm thick gate dielectric, but not for the measured device made on 300-nm-thick oxide dielectric, which yields a cross-plane thermal conductance ( G ox ) much smaller than the typical G of graphene. In contrast, for typical G values reported for graphene, increasing κ from 300 W m –1 K –1 toward 3000 W m –1 K –1 is effective in reducing the hot spot temperature for the 300-nm-thick oxide devices but not for the sub-10 nm gate dielectric case, because the heat spreading length (l) can be appreciably increased relative to the micron-scale localized heat generation spot size ( r 0 ) only when the oxide layer is sufficiently thick. As such, enhancement of κ increases the vertical heat transfer area above the gate dielectric only for the thick oxide case. In all cases considered, the hot spot temperature is sensitive to varying G and κ only when the G / G ox ratio and r 0 /l ratio are below about 5, respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Thermal interface conductance in Si/Ge superlattices by equilibrium molecular dynamics

We provide here a derivation allowing the calculation of thermal conductance at interfaces by equilibrium molecular dynamics simulations and illustrate our approach by studying thermal conduction mechanisms in Si/Ge superlattices. Thermal conductance calculations of superlattices with period thicknesses ranging from 0.5 to 60 nm are presented as well as the temperature dependence. Results have been compared to complementary Green-Kubo thermal conductivity calculations demonstrating that thermal conductivity of perfect superlattices can be directly deduced from interfacial conductance in the investigated period range. This confirms the predominant role of interfaces in materials with large phonon mean free paths.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Thermal interface conductance across a graphene/hexagonal boron nitride heterojunction

We measure thermal transport across a graphene/hexagonal boron nitride (h-BN) interface by electrically heating the graphene and measuring the temperature difference between the graphene and BN using Raman spectroscopy. Because the temperature of the graphene and BN are measured optically, this approach enables nanometer resolution in the cross-plane direction. A temperature drop of 60 K can be achieved across this junction at high electrical powers (14 mW). Based on the temperature difference and the applied power data, we determine the thermal interface conductance of this junction to be 7.4 × 10{sup 6} Wm{sup −2}K{sup −1}, which is below the 10{sup 7}–10{sup 8} Wm{sup −2}K{sup −1} values previously reported for graphene/SiO{sub 2} interface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Effect of time and spatial domains on monolayer 2D material interface thermal conductance measurement using ns ET-Raman

Raman-based approaches to characterizing thermal properties of nanoscale and microscale materials have proven to be powerful experimental methods. Here, this work explores the potential of energy-transport state-resolved Raman (ET-Raman) for the precise determination of interfacial thermal conductance (G) between monolayer 2D materials and their substrates. ET-Raman employs a continuous wave laser and nanosecond (ns) pulsed laser to induce both steady state and transient heating while simultaneously collecting 2D material temperature information from the Raman signal. A 3D numerical model built using the finite volume method simulates the two differentiated thermal transport processes. The simulated temperature rises are compared with experimental Raman temperature information to extract G. In this study, we investigate the temporal effects of the pulse frequency and pulse width of the ns laser on precise characterization of G. By running multiple simulations for a range of pulsed laser frequencies and pulse widths, we determine that ET-Raman is most sensitive to precise interfacial thermal conductance measurements with short pulse widths (~below 20 ns) and with pulsing frequencies that ensure sufficient cooling time between consecutive pulses (~below 500 kHz). We also conclude that substrate thickness and laser spot size play critical roles in heat distribution and subsequent sensitivity to meaningful G measurements. As both laser spot size and SiO 2 substrate thickness decrease, detection of interfacial thermal transport becomes more difficult. These results offer essential guidance in the design of future Raman-based approaches to thermal measurements using pulsed lasers.

2D materials↗
DOE OSTI2016

Effect of intermetallic compounds on the thermal conductivity of Ti-Cu composites

Ti films were deposited by magnetron sputtering on polycrystalline Cu substrates. The samples were annealed at different temperatures and characterized by x-ray diffraction for phase identification, scanning electron microscopy, and energy dispersive spectrometry for microstructure and composition and transient thermoreflectance for thermal conductivity and interface thermal conductance. The results showed that the diffused layer of Ti in Cu contained intermetallic compounds and solid solution of Ti in Cu. The thermal conductivity of the diffused layer is reduced, and the thickness increased for higher annealing temperature. The interface thermal conductance also decreased for higher temperature of annealing. A stable Cu{sub 4}Ti phase was formed after annealing at 725 °C with thermal conductivity of 10 W m{sup −1} K{sup −1}. The interface thermal conductance between the intermetallic compound and the solid solution of Ti in Cu also was reduced to 30 MW m{sup −2} K{sup −1}. The effective thermal resistance of the diffused layer and the interface was found to increase for higher annealing temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Mechanisms of nonequilibrium electron-phonon coupling and thermal conductance at interfaces

We study the electron and phonon thermal coupling mechanisms at interfaces between gold films with and without Ti adhesion layers on various substrates via pump-probe time-domain thermoreflectance. The coupling between the electronic and the vibrational states is increased by more than a factor of five with the inclusion of an ∼3 nm Ti adhesion layer between the Au film and the non-metal substrate. Furthermore, we show an increase in the rate of relaxation of the electron system with increasing electron and lattice temperatures induced by the laser power and attribute this to enhanced electron-electron scattering, a transport channel that becomes more pronounced with increased electron temperatures. The inclusion of the Ti layer also results in a linear dependence of the electron-phonon relaxation rate with temperature, which we attribute to the coupling of electrons at and near the Ti/substrate interface. This enhanced electron-phonon coupling due to electron-interface scattering is shown to have negligible influence on the Kapitza conductances between the Au/Ti and the substrates at longer time scales when the electrons and phonons in the metal have equilibrated. These results suggest that only during highly nonequilibrium conditions between the electrons and phonons (T{sub e} ≫ T{sub p}) does electron-phonon scattering at an interface contribute to thermal boundary conductance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Thermal Conductivity of Thermal Interface Materials Evaluated By a Transient Plane Source Method

The thermal conductivity of thermal interface materials (TIMs) has been investigated using a transient plane source (TPS) method. In thermoelectric generators designed for vehicle waste heat recovery, high thermal conductivity materials are needed for the cold-side interface between a polyamide flexible circuit and an aluminum plate heat exchanger. The conventional heat flow method described by ASTM D5470 is often used to determine thermal contact resistance of an interface with a thin layer of interface material. The apparent thermal conductivity values provided by materials manufacturers are used to calculate heat transfer through the interface. Yet, estimated parameters based on the thermal conductivity of a TIM often do not agree with the actual heat transfer through the interface. Thermal conductivity of a series of 10 commercial TIMs were evaluated by applying a small quantity to an embedded TPS sensor. The 2-mm radius sensor was able to operate under standard bulk material measurement mode and produced consistent thermal conductivity measurements of the interface materials. The TPS method is demonstrated to be effective in ranking the available interface materials by thermal conductivity and to ensure that the material with consistent performance can be selected for the thermoelectric generator applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Inelastic phonon transport across atomically sharp metal/semiconductor interfaces

Understanding thermal transport across metal/semiconductor interfaces is crucial for the heat dissipation of electronics. The dominant heat carriers in non-metals, phonons, are thought to transport elastically across most interfaces, except for a few extreme cases where the two materials that formed the interface are highly dissimilar with a large difference in Debye temperature. In this work, we show that even for two materials with similar Debye temperatures (Al/Si, Al/GaN), a substantial portion of phonons will transport inelastically across their interfaces at high temperatures, significantly enhancing interface thermal conductance. Moreover, we find that interface sharpness strongly affects phonon transport process. For atomically sharp interfaces, phonons are allowed to transport inelastically and interface thermal conductance linearly increases at high temperatures. With a diffuse interface, inelastic phonon transport diminishes. Our results provide new insights on phonon transport across interfaces and open up opportunities for engineering interface thermal conductance specifically for materials of relevance to microelectronics.

42 ENGINEERING↗
DOE OSTI2022

Optimization of Thermal Conductance at Interfaces Using Machine Learning Algorithms

We report optimization of thermal transport across the interface of two different materials is critical to micro-/nanoscale electronic, photonic, and phononic devices. Although several examples of compositional intermixing at the interfaces having a positive effect on interfacial thermal conductance (ITC) have been reported, an optimum arrangement has not yet been determined because of the large number of potential atomic configurations and the significant computational cost of evaluation. On the other hand, computation-driven materials design efforts are rising in popularity and importance. Yet, the scalability and transferability of machine learning models remain as challenges in creating a complete pipeline for the simulation and analysis of large molecular systems. In this work we present a scalable Bayesian optimization framework, which leverages dynamic spawning of jobs through the Message Passing Interface (MPI) to run multiple parallel molecular dynamics simulations within a parent MPI job to optimize heat transfer at the silicon and aluminum (Si/Al) interface. We found a maximum of 50% increase in the ITC when introducing a two-layer intermixed region that consists of a higher percentage of Si. Because of the random nature of the intermixing, the magnitude of increase in the ITC varies. We observed that both homogeneity/heterogeneity of the intermixing and the intrinsic stochastic nature of molecular dynamics simulations account for the variance in ITC.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Effects of precipitates and its interface on thermal conductivity of Mg–12Gd alloy during aging treatment

Highlights: • Hardness and thermal conductivity of alloy can be improved by aging treatment. • The interface between precipitates and matrix transformed coherent into incoherent with increasing aging time. • Coherent interface would impede the improvement of thermal conductivity of alloy. - Abstract: How to simultaneously improve the thermal conductivity and mechanical properties of Mg alloys is an interesting and important issue topic. In the present study, the effect of aging treatment on the thermal conductivity and micro-hardness of Mg–12Gd alloy was investigated. Results indicated that the thermal conductivity and micro-hardness of the alloy could be significantly improved by aging treatment, and Mg–12Gd alloy exhibited a typical aging hardening response with the increasing aging time. At the early stage of aging (4 h), a large number of fine particles precipitated from α-Mg matrix, but thermal conductivity of alloy increased a little, which was attributed to the coherent interface hindering the increase of thermal conductivity. The thermal conductivity increased to the peak value of 75.7 W/(m·K) at the aging time of 300 h, which was about 2.17 times that of as-solutionized alloy. The huge increment in the thermal conductivity of as-aged Mg–12Gd alloy was related to the precipitation of particles and the incoherent interface between precipitates and α-Mg matrix.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Thermal conductance of metal–diamond interfaces at high pressure

The thermal conductance of interfaces between metals and diamond, which has a comparatively high Debye temperature, is often greater than can be accounted for by two phonon-processes. The high pressures achievable in a diamond anvil cell can significantly extend the metal phonon density of states to higher frequencies, and can also suppress extrinsic effects by greatly stiffening interface bonding. Here we report time-domain thermoreflectance measurements of metal-diamond interface thermal conductance up to 50 GPa in the DAC for Pb, Au 0.95 Pd 0.05 , Pt, and Al films deposited on Type 1A natural [100] and Type 2A synthetic [110] diamond anvils. In all cases, the thermal conductances increase weakly or saturate to similar values at high pressure. Lastly, our results suggest that anharmonic conductance at metal-diamond interfaces is controlled by partial transmission processes, where a diamond phonon that inelastically scatters at the interface absorbs or emits a metal phonon.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Thermal conductance of interfaces between titanium nitride and group IV semiconductors at high temperatures

Measuring the temperature dependence of material properties is a standard method for better understanding the microscopic origins for that property. Surprisingly, only a few experimental studies of thermal boundary conductance at high temperatures exist. This lack of high temperature data makes it difficult to evaluate competing theories for how inelastic processes contribute to thermal conductance. To address this, we report time domain thermoreflectance measurements of the thermal boundary conductance for TiN on diamond, silicon-carbide, silicon, and germanium between 120 and 1000 K. In all systems, the interface conductance increases monotonically without stagnating at higher temperatures. For TiN/SiC interfaces, G ranges from 330 to 1000 MW/m2-K, with a room temperature conductance of 750 MW/m2-K. The interface conductance for TiN/diamond ranges from 140 to 950 MW/m2-K. Notably, for all four interfacial systems, the conductance continues to increase with temperature even after all phonon modes in the vibrationally soft material are thermally excited. This observation suggests that inelastic processes are significant contributors to the thermal conductance in all four interfacial systems, regardless of whether the materials forming the interface are vibrationally similar or dissimilar. Our study fills a notable gap in the literature for how interfacial conductance evolves at high temperatures and tests burgeoning theories for the role of inelastic processes in interfacial thermal transport.

Physics↗
DOE OSTI2019

Maximization of thermal conductance at interfaces via exponentially mass-graded interlayers

Here, we propose a strategy to potentially best enhance interfacial thermal transport through solid–solid interfaces by adding nano-engineered, exponentially mass-graded intermediate layers. This exponential design rule results in a greater enhancement than a linearly mass-graded interface. By combining calculations using non-equilibrium Green's functions (NEGF) and non-equilibrium molecular dynamics (NEMD), we investigated the role of impedance matching and anharmonicity in the enhancement in addition to geometric parameters such as the number of layers and the junction thickness. Our analysis shows that the effect on thermal conductance is dominated by the phonon thermalization through anharmonic effects, while elastic phonon transmission and impedance matching play a secondary role. In the harmonic limit, increasing the number of layers results in greater elastic phonon transmission at each individual boundary, countered by the decrease of available conducting channels. Consequently, conductance initially increases with number of layers due to improved bridging, but quickly saturates. The presence of slight anharmonic effects (at very low temperature, T = 2 K) turns the saturation into a monotonically increasing trend. Anharmonic effects can further facilitate interfacial thermal transport through the thermalization of phonons at moderate temperatures. At high temperature, however, the role of anharmonicity as a facilitator of interfacial thermal transport reverses. Strong anharmonicity introduces significant intrinsic resistance, overruling the enhancement in thermal conduction at the boundaries. It follows that at a particular temperature, there exists a corresponding junction thickness at which thermal conductance is maximized.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Büttiker probes for dissipative phonon quantum transport in semiconductor nanostructures

Theoretical prediction of phonon transport in modern semiconductor nanodevices requires atomic resolution of device features and quantum transport models covering coherent and incoherent effects. The nonequilibrium Green's function method is known to serve this purpose well but is numerically expensive in simulating incoherent scattering processes. This work extends the efficient Büttiker probe approach widely used in electron transport to phonons and considers salient implications of the method. Different scattering mechanisms such as impurity, boundary, and Umklapp scattering are included, and the method is shown to reproduce the experimental thermal conductivity of bulk Si and Ge over a wide temperature range. Temperature jumps at the lead/device interface are captured in the quasi-ballistic transport regime consistent with results from the Boltzmann transport equation. Results of this method in Si/Ge heterojunctions illustrate the impact of atomic relaxation on the thermal interface conductance and the importance of inelastic scattering to activate high-energy channels for phonon transport. The resultant phonon transport model is capable of predicting the thermal performance in the heterostructure efficiently.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Conducting thermal energy to the membrane/water interface for the enhanced desalination of hypersaline brines using membrane distillation

Membrane distillation (MD) is a membrane-based thermal desalination process capable of treating hypersaline brines. Standard MD systems rely on preheating the feed to drive the desalination process. However, relying on the feed to carry thermal energy is limited by a decline of the thermal driving force as the water moves across the membrane, and temperature polarization. In contrast, supplying heat directly into the feed channel, either through the membrane or other channel surfaces, has the potential of minimizing temperature polarization, increasing single-pass water recoveries, and decreasing the number of heat exchangers in the system. When solar thermal energy can be utilized, particularly if the solar heat is optimally delivered to enhance water evaporation and process performance, MD processes can potentially be improved in terms of energy efficiency, environmental sustainability, or operating costs. Here we describe an MD process using layered composite membranes that include a high-thermal-conductivity layer for supplying heat directly to the membrane-water interface and the flow channel. Here, the MD system showed stable performance with water flux up to 9 L/m 2 /hr, and salt rejection >99.9% over hours of desalinating hypersaline feed (100 g/L NaCl). In addition to bench-scale system, we developed a computational fluid dynamics model that successfully described the transport phenomena in the system.

42 ENGINEERING↗