Heat Transfer at Aluminum–Water Interfaces: Effect of Surface Roughness

Author(s):  
H. Sam Huang ◽  
Vikas Varshney ◽  
Jennifer L. Wohlwend ◽  
Ajit K. Roy

In this paper, we studied the effect of microscopic surface roughness on heat transfer between aluminum and water by molecular dynamic (MD) simulations and macroscopic surface roughness on heat transfer between aluminum and water by finite element (FE) method. It was observed that as the microscopic scale surface roughness increases, the thermal boundary conductance increases. At the macroscopic scale, different degrees of surface roughness were studied by finite element method. The heat transfer was observed to enhance as the surface roughness increases. Based on the studies of thermal boundary conductance as a function of system size at the molecular level, a procedure was proposed to obtain the thermal boundary conductance at the mesoscopic scale. The thermal boundary resistance at the microscopic scale obtained by MD simulations and the thermal boundary resistance at the mesoscopic scale obtained by the extrapolation procedure can be included and implemented at the interfacial elements in the finite element method at the macroscopic scale. This provides us a useful model, in which different scales of surface roughness can be included, for heat transfer analysis.

Author(s):  
H. Sam Huang ◽  
Jennifer L. Wohlwend ◽  
Vikas Varshney ◽  
Ajit K. Roy

In this paper, we studied the effect of microscopic surface roughness on heat transfer between aluminum and water by molecular dynamic (MD) simulations and macroscopic surface roughness on heat transfer between aluminum and water by finite element (FE) method. It was observed that as the microscopic scale surface roughness increased, the thermal boundary conductance increased. The thermal conductance increases 20% when the ratio of the amplitude of the surface roughness to the width of the system was changed from 0 to 1. At the macroscopic scale, different degrees of surface roughness were studied by finite element method. The heat transfer was observed to enhance as the surface roughness increases. The surface roughness was found to enhance the heat transfer both at the microscopic scale and at the macroscopic scale. Based upon the calculations at the microscopic scale by MD simulations and at the macroscopic scale by Finite Element method, a procedure was proposed to obtain the thermal conductance of surface roughness at the length scale of macroscopic and able to include the macroscopic scale surface roughness.


Author(s):  
Patrick E. Hopkins ◽  
Leslie M. Phinney ◽  
Justin R. Serrano ◽  
Thomas E. Beechem

Thermal boundary resistance dominates the thermal resistance in nanosystems since material length scales are comparable to material mean free paths. The primary scattering mechanism in nanosystems is interface scattering, and the structure and composition around these interfaces can affect scattering rates and, therefore, device thermal resistances. In this work, the thermal boundary conductance (the inverse of the thermal boundary resistance) is measured using a pump-probe thermoreflectance technique on aluminum films grown on silicon substrates that are subjected to various pre-Al-deposition surface treatments. The Si surfaces are characterized with Atomic Force Microscopy (AFM) to determine mean surface roughness. The measured thermal boundary conductance decreases as Si surface roughness increases. In addition, stripping the native oxide layer on the surface of the Si substrate immediately prior to Al film deposition causes the thermal boundary conductance to increase. The measured data are then compared to an extension of the diffuse mismatch model that accounts for interfacial mixing and structure around the interface.


Author(s):  
Jin Hyeok Cha ◽  
Shohei Chiashi ◽  
Junichiro Shiomi ◽  
Shigeo Maruyama

Using classical molecular dynamics (MD) simulations, we studied the thermal boundary resistance (TBR)—the inverse of thermal boundary conductance (TBC)—between a single-walled carbon nanotube (SWNT) and surrounding Lennard-Jones (LJ) fluids. With the aim of identifying a general model that explains the TBC for various surrounding materials, the TBC was calculated for three different surrounding LJ fluids, hydrogen, nitrogen, and argon, in a supercritical phase. The results show that the TBC between an SWNT and a surrounding LJ fluid strongly depends on both the local density of the molecules in the first adsorption layer outside SWNT and the intermaterial potential parameters. We also note that the influence of mass on the TBC has a far more significant effect than other intermaterial potential parameters. Furthermore, through our parametric studies we obtained a phenomenological description of the TBC between an SWNT and a surrounding LJ fluid.


Author(s):  
Ruijie Zhao ◽  
Yunfei Chen ◽  
Kedong Bi ◽  
Meihui Lin ◽  
Zan Wang

A modified lattice-dynamical model is proposed to calculate the thermal boundary resistance at the interface between two fcc lattices. The nonequilibrium molecular dynamics (MD) simulation is employed to verify the theoretical calculations. In our physical model, solid crystal argon is set at the left side and the right side structure properties are tunable by setting the atomic mass and the interactive energy strength among atoms with different values. In the case of mass mismatch, the predictions of the lattice-dynamical (LD) model agree well at low temperature while the calculations of the diffuse mismatch model (DMM) based on the detailed phonon dispersion agree well at high temperature with the MD simulations. The modified LD model, considering a partially specular and partially diffuse phonon scattering, can explain the simulations reasonably in the whole temperature rage. The good agreement between the theoretical calculations and the simulations may be attributed to that phonon scattering mechanisms are dominated by elastic scattering at the perfect interfaces. In the case of interactive energy strength mismatch, the simulations are under the predictions of both the theoretical models, which may be attributed to the fact that this mismatch can bring about an outstanding contribution to opening up an inelastic channel for heat transfer at the interfaces.


Volume 4 ◽  
2004 ◽  
Author(s):  
Robert J. Stevens ◽  
Pamela M. Norris ◽  
Arthur W. Lichtenberger

Understanding thermal boundary resistance (TBR) is becoming increasingly important for the thermal management of micro and optoelectronic devices. The current understanding of room temperature TBR is often not adequate for the thermal design of tomorrow’s complex micro and nano devices. Theories have been developed to explain the resistance to energy transport by phonons across interfaces. The acoustic mismatch model (AMM) [1, 2], which has had success at explaining low temperature TBR, does not account for the high frequency phonons and imperfect interfaces of real devices at room temperature. The diffuse mismatch model (DMM) was developed to account for real surfaces with higher energy phonons [3, 4]. DMM assumes that all phonons incident on the interface from both sides are elastically scattered and then emitted to either side of the interface. The probability that a phonon is emitted to a particular side is proportional to the phonon density of states of the two interface materials. Inherent to the DMM is that the transport is independent of the interface structure itself and is only dependent on the properties of the two materials. Recent works have shown that the DMM does not adequately capture all the energy transport mechanisms at the interface [5, 6]. In particular, the DMM under-predicts transport across interfaces between non Debye-like materials, such at Pb and diamond, by approximately an order of magnitude. The DMM also tends to over-predict transport for interfaces made with materials of similar acoustic properties, Debye-like materials. There have been several explanations and models developed to explain the discrepancies between the mismatch models and experimental data. Some of these models are based on modification of the AMM and DMM [7–9]. Other works have utilized lattice-dynamical modeling to calculate phonon transmission coefficients and thermal boundary conductivities for abrupt and disordered interfaces [3, 6, 10–13]. Recent efforts to better understand room temperature TBR have utilized molecular dynamics simulations to account for more realistic anharmonic materials and inelastic scattering [14–18]. Models have also been developed to account for electron-phonon scattering and its effect on the thermal boundary conductance for interfaces with one metal side [19–22]. Although there have been numerous thermal boundary resistance theoretical developments since the introduction of the AMM, there still is not an unifying theory that has been well validated for high temperature solid-solid interfaces. Most of the models attempt to explain some of the experimental outliers, such as Pb/diamond and TiN/MgO interfaces [6, 23], but have not been fully tested for a range of experimental data. Part of the problem lies in the fact that very little reliable data is available, especially data that is systematically taken to validate a particular model. To this end, preliminary measurements of TBR are being made on a series of metal on non-metal substrate interfaces using a non-destructive optical technique, transient thermal reflectance (TTR) described in Stevens et al. [5]. Initial testing examines the impact of different substrate preparation and deposition conditions on TBR for Debye-like interfaces for which TBR should be small for clean and abrupt interfaces. Variables considered include sputter etching power and duration, electron beam source clean, and substrate temperature control. The impact of alloying and non-abrupt interfaces on the TBR is examined by fabricating interfaces of both Debye-like and non Debye-like interfaces followed by systematically measuring TBR and altering the interfaces by annealing the samples to increase the diffusion depths at the interfaces. Inelastic electron scattering at the interface has been proposed by Hubermann et al. and Sergeev to decrease TBR at interfaces [19–21]. Two sets of samples are prepared to examine the electron-phonon connection to improved thermal boundary conductance. The first consists of thin Pt and Ag films on Si and sapphire substrates. Pt and Ag electron-phonon coupling factors are 60 and 3.1×1016 W/m3K respectively. Both Pt and Ag have similar Debye temperatures, so electron scattering rates can be examined without much change in acoustic effects. The second electron scattering sample series consist of multiple interfaces fabricated with Ni, Ge, and Si to separate the phonon and electron portions of thermal transport. The experimental data is compared to several of the proposed theories.


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