Investigation of size and electronic effects on Kapitza conductance with non-equilibrium molecular dynamics

Jones, Reese E.; Duda, John C.; Zhou, Xiao Wang; Kimmer, Christopher J.; Hopkins, Patrick E.

doi:10.1063/1.4804677

Cited by 70 publications

(68 citation statements)

References 47 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Generally speaking, domain length can have a significant influence on the thermal conductivities predicted by NEMD simulations due to the fact that the fixed ends of the domain serve as phonon scattering sites, thereby shortening mean-free-paths and reducing observed thermal conductivities [129,205,206]. However, we do not observe any statistically significant change in the predicted thermal conductivities of amorphous Si or the amorphous SLs (see comparison in Fig.…”

Section: Thermal Boundary Resistance and Thermal Conductivity Of Amorcontrasting

confidence: 44%

“…The inclusion of these interfaces gives rise to both phononboundary scattering, effectively reducing the thermal conductivity of the solid due to classical size effects [128], and/or partial transmission of thermal energy across the interface driving the thermal boundary conductance [21,22]. To atomistically manipulate the phonon thermal conductivity of a nanosystem with a high density of material interfaces, an understanding of the interplay and relationship of phonon-boundary scattering and thermal boundary conductance across the interfaces must be understood; it is important to note that the reduction in the thermal conductivity of a material due to phonon boundary scattering may not be entirely correlated to the intrinsic thermal boundary conductance between two solids, and is influenced by ballistic transport and phonon mean free paths incident upon the interface, as has been shown both computationally [129] and experimentally [4]. Given that the structural and chemical properties of solid interfaces can strongly influence the thermal boundary conductance [13], the ballistic or diffusive nature of phonon transport, along with the corresponding phonon wavelengths [125], can affect how energy is scattered and/or transmitted across an interfacial region between two materials.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

The Role of Electronic and Vibrational Scattering on Thermal Transport Across Multiple Interfaces in Nanostructures

Giri¹

View full text Add to dashboard Cite

Rapid miniaturization and faster working speeds in electronic devices has led to challenges in their thermal mitigation. However, thermal conductivity of the constituent materials in the nano-devices, even though a very critical parameter in their design, is mostly overlooked and the thermal performance of the device is mainly controlled through packaging techniques. However, it would be advantageous for a diverse spectrum of technologies, which ultimately fail due to either high density of interfaces or due to high operating frequencies, to control and tune thermal properties at the submicron length scale and femtoto-picosecond time scales. Therefore, a comprehensive understanding of how heat flows across nanosystems that are mostly limited by interfacial thermal transport would prove to be quintessential for the design of various electronic devices. For example, the contribution of electronic thermal resistance across metal/semiconductor interfaces has been a subject of debate for the past several decades; understanding the intrinsic electron-electron, electron-phonon and electron-boundary scattering mechanisms in these devices could potentially lead to transistors with higher operating frequencies. Moreover, with the advent of new fabrication technologies, the role of phononic-driven thermal resistances across hybrid interfaces of inorganic/organic materials and amorphous semiconductor superlattices (SLs) with high density of interfaces has largely been unexplored.It is the goal of this work to comprehensively explore interfacial thermal transport in these material systems by understanding the fundamental scattering mechanisms of the energy carriers, which dominate thermal transport at various length and time scales. In this regard, a combination of time-domain thermoreflectance (TDTR) experiments and non-equilibrium molecular dynamics (NEMD) simulations will be implemented to achieve these goals.The nonequilibrium between electrons and phonons at metal/semiconductor interfaces in high frequency microelectronic devices serves as a bottleneck to heat transfer in these ii devices. To understand this phenomena, TDTR is used to probe the highly non-equilibrium condition that is induced due to pulse absorption by thin Au films deposited on various dielectric substrates. For electron temperature excursions of ≤ 3,500 K in Au, it is shown that while the increase in the excited carrier density increases the e-p coupling in the metal, the bond strength between the metal and the substrate dictates the energy transfer rate across the interface during this highly non-equilibrium time regime. Furthermore, at time scales when the electrons have fully thermalized with the lattice, electron-phonon coupling does not influence the phonon-driven thermal boundary conductance.Another phenomena that lead to device failure are the phonon-driven thermal boundary resistance in multilayered semiconductors used in technologies such as thermoelectric power generation or phase change memory devices. TDTR is used to simultaneously...

show abstract

Section: Thermal Boundary Resistance and Thermal Conductivity Of Amorcontrasting

confidence: 44%

Section: Introductionmentioning

confidence: 99%

The Role of Electronic and Vibrational Scattering on Thermal Transport Across Multiple Interfaces in Nanostructures

Giri¹

View full text Add to dashboard Cite

show abstract

“…It is observed that by including the e-ph effect, interfacial thermal conductance is significantly reduced. Jones et al 14 and…”

Section: / 23mentioning

confidence: 99%

“…14,15 Copper has a much smaller e-ph coupling factor (g=0.5×10 17 W/m 3 K) and a larger electron thermal conductivity than those of aluminum (g=2.4×10 17 W/m 3 K), 22 respectively. According to Fig.…”

Section: / 23mentioning

confidence: 99%

Effect of electron-phonon coupling on thermal transport across metal-nonmetal interface —A second look

Wu¹,

Luo²

2015

EPL

View full text Add to dashboard Cite

Abstract:The effect of electron-phonon (e-ph) coupling on thermal transport across metal-nonmetal interfaces is yet to be completely understood. In this paper, we use a series of molecular dynamics (MD) simulations with e-ph coupling effect included by Langevin dynamics to calculate the thermal conductance at a model metal-nonmetal interface. It is found that while e-ph coupling can present additional thermal resistance on top of the phonon-phonon thermal resistance, it can also make the phonon-phonon thermal conductance larger than the pure phonon transport case. This is because the e-ph interaction can disturb the phonon subsystem and enhance the energy communication between different phonon modes inside the metal. This facilitates redistributing phonon energy into modes that can more easily transfer energy across the interfaces. Compared to the pure phonon thermal conduction, the total thermal conductance with e-ph coupling effect can become either smaller or larger depending on the coupling factor. This result helps clarify the role of e-ph coupling in thermal transport across metal-nonmetal interface. / 23

show abstract

“…31 A modified Tersoff potential based on a parameterization by Porter et al 32 was employed to describe the interactions between Si and C atoms, whereas dopant/dopant and dopant/matrix (i.e., Si and C atoms) interactions were described, for simplicity, by a shifted Lennard Jones (LJ) potential. 11,12,30,[33][34][35] The LJ interaction captures generically some of the anharmonic effects that govern phonon scattering and, thereby, thermal transport properties. While the length parameter, σ, and energy parameter, ε dd, , for dopant/dopant interactions were kept constant at 2.0 Å and 0.3 eV, respectively, the energy parameter, ε dm, , for dopant/matrix interactions (with either Si or C) was constrained on the interval 0.03 eV ≤ ε dm ≤ 0.3 eV.…”

Section: A Computational Modelmentioning

confidence: 99%

Thermal transport across symmetric tilt grain boundaries in β-SiC: Effect of dopants and temperature

et al. 2016

View full text Add to dashboard Cite

The Kapitza resistance at a segregated, low-angle symmetric tilt grain boundary in β-SiC is investigated using non-equilibrium molecular dynamics simulation. In particular, we assess the role of compositional and thermal disorder on the boundary resistance for various doping scenarios. By examining the local vibrational density of states, we identify a subset of modes that are significant for thermal transport in this system. This analysis is complemented by calculations of the projected density of states and a corresponding eigenmode analysis of the dynamical matrix that highlight important phonon polarizations and propagation directions. We also examine the dependence of the Kapitza resistance on temperature and dopant/matrix interaction strength, the latter parameter affecting grain-boundary structure and, hence, phonon scattering. C 2016 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license

show abstract

Investigation of size and electronic effects on Kapitza conductance with non-equilibrium molecular dynamics

Cited by 70 publications

References 47 publications

The Role of Electronic and Vibrational Scattering on Thermal Transport Across Multiple Interfaces in Nanostructures

The Role of Electronic and Vibrational Scattering on Thermal Transport Across Multiple Interfaces in Nanostructures

Effect of electron-phonon coupling on thermal transport across metal-nonmetal interface —A second look

Thermal transport across symmetric tilt grain boundaries in β-SiC: Effect of dopants and temperature

Contact Info

Product

Resources

About