A Hierarchical Framework for Thermal Modelling of Electronic Devices: From Atoms to Chips

Author(s):  
David A. Romero ◽  
Elham Pakseresht ◽  
Daniel Sellan ◽  
Aydin Nabovati ◽  
Cristina Amon

In this work, we provide an overview of a hierarchical computational framework to predict thermal transport in electronic devices through integration of physics-based models at different length scales. Information from atomistic simulations at the smallest length scales are transferred to upper levels of the hierarchy, up to thermal models for the chip. The proposed methodology includes five levels of length scales in electronic devices, namely (i) atomistic level, (ii) thin film and nanowire level, (iii) transistor and logic gate level, (iv) functional block level, and (v) chip level. At the first level of the hierarchy, properties of energy carriers in a semiconductor material (e.g., phonons) are obtained from atomistic level simulations, such as Molecular Dynamics (MD) and Lattice Dynamics (LD) calculations. At the second level, thermal transport in thin silicon films is modelled using a Lattice Boltzmann Method (LBM) for phonons. The outcome of these simulations is a size-dependent thermal conductivity for silicon films. At the third level of the hierarchy, these effective thermal conductivities are used in thermal modelling of logic gates. Detailed structures of different types of logic gates are reconstructed based on different manufacturing technologies (MOSFET and FinFET) at different technology nodes. Since the characteristic sizes of different parts of the logic gates are comparable to the mean free path of energy carriers, we use the size-dependent, effective thermal conductivities that were calculated at lower levels of the hierarchy to build simulation models for the logic gates. Based on these models, we calculate an equivalent thermal conductance for the logic gates, which would then be used in the upper level simulations to determine an equivalent thermal conductance for different functional blocks of the die based on their internal structure and the number and type of logic gates found in each functional block. Overall, the proposed hierarchical model enables us to include the effect of atomistic-level physics into package-level simulations, and thus, have an accurate prediction of thermal transport in an electronic device.

2019 ◽  
Vol 16 ◽  
Author(s):  
Mohammad Reza Niazian ◽  
Laleh Farhang Matin ◽  
Mojtaba Yaghobi ◽  
Amir Ali Masoudi

Background: Recently, molecular electronics have attracted the attention of many researchers, both theoretically and applied electronics.Nanostructures have significant thermal properties, which is why they are considered as good options for designing a new generation of integrated electronic devices. Objective: In this paper, the focus is on the thermoelectric properties of the molecular junction points with the electrodes. Also, the influence of the number of atom contacts was investigated on the thermoelectric properties of molecule located between two electrodes metallic.Therefore, the thermoelectric characteristics of the B12 N12 molecule are investigated. Methods: For this purpose, the Green’s function theory as well as mapping technique approach with the wide-band approximation and also the inelastic behaviour is considered for the electron-phonon interactions. Results & Conclusion: Results & Conclusion:It is observed that the largest values of the total part of conductance as well as its elastic (G(e,n)max) depends on the number of atom contacts and are arranged as: G(e,1)max>G(e,4)max>G(e,6)max. Furthermore, the largest values of the electronic thermal conductance, i.e. Kpmax is seen to be in the order of K(p,4)max < K(p,1)max < K(p,6)max that the number of main peaks increases in four-atom contacts at (E<Ef). Furthermore, it is represented that the thermal conductance shows an oscillatory behavior which is significantly affected by the number of atom contacts.


Biomaterials ◽  
2010 ◽  
Vol 31 (7) ◽  
pp. 1955-1963 ◽  
Author(s):  
Siang Fung Ang ◽  
Emely L. Bortel ◽  
Michael V. Swain ◽  
Arndt Klocke ◽  
Gerold A. Schneider

Nanoscale ◽  
2021 ◽  
Author(s):  
Shaoyang Xiong ◽  
Yue Qin ◽  
Linhong Li ◽  
Guoyong Yang ◽  
Maohua Li ◽  
...  

In order to meet the requirement of thermal performance with the rapid development of high-performance electronic devices, constructing a three-dimensional thermal transport skeleton is an effective method for enhancing thermal...


2001 ◽  
Vol 703 ◽  
Author(s):  
Ho-Soon Yang ◽  
J.A. Eastman ◽  
L.J. Thompson ◽  
G.-R. Bai

ABSTRACTUnderstanding the role of grain boundaries in controlling heat flow is critical to the success of many envisioned applications of nanocrystalline materials. This study focuses on the effect of grain boundaries on thermal transport behavior in nanocrystalline yttria-stabilized zirconia (YSZ) coatings prepared by metal-organic chemical vapor deposition.


2022 ◽  
Vol 12 (1) ◽  
Author(s):  
Md. Sherajul Islam ◽  
Imon Mia ◽  
A. S. M. Jannatul Islam ◽  
Catherine Stampfl ◽  
Jeongwon Park

AbstractGraphene based two-dimensional (2D) van der Waals (vdW) materials have attracted enormous attention because of their extraordinary physical properties. In this study, we explore the temperature and interlayer coupling induced thermal transport across the graphene/2D-SiC vdW interface using non-equilibrium molecular dynamics and transient pump probe methods. We find that the in-plane thermal conductivity κ deviates slightly from the 1/T law at high temperatures. A tunable κ is found with the variation of the interlayer coupling strength χ. The interlayer thermal resistance R across graphene/2D-SiC interface reaches 2.71 $$\times$$ × 10–7$${\text{Km}}^{2} /{\text{W}}$$ Km 2 / W at room temperature and χ = 1, and it reduces steadily with the elevation of system temperature and χ, demonstrating around 41% and 56% reduction with increasing temperature to 700 K and a χ of 25, respectively. We also elucidate the heat transport mechanism by estimating the in-plane and out-of-plane phonon modes. Higher phonon propagation possibility and Umklapp scattering across the interface at high temperatures and increased χ lead to the significant reduction of R. This work unveils the mechanism of heat transfer and interface thermal conductance engineering across the graphene/2D-SiC vdW heterostructure.


Author(s):  
Pamela M. Norris ◽  
Justin L. Smoyer ◽  
John C. Duda ◽  
Patrick E. Hopkins

Due to the high intrinsic thermal conductivity of carbon allotropes, there have been many attempts to incorporate such structures into existing thermal abatement technologies. In particular, carbon nanotubes (CNTs) and graphitic materials (i.e., graphite and graphene flakes or stacks) have garnered much interest due to the combination of both their thermal and mechanical properties. However, the introduction of these carbon-based nanostructures into thermal abatement technologies greatly increases the number of interfaces per unit length within the resulting composite systems. Consequently, thermal transport in these systems is governed as much by the interfaces between the constituent materials as it is by the materials themselves. This paper reports the behavior of phononic thermal transport across interfaces between isotropic thin films and graphite substrates. Elastic and inelastic diffusive transport models are formulated to aid in the prediction of conductance at a metal-graphite interface. The temperature dependence of the thermal conductance at Au-graphite interfaces is measured via transient thermoreflectance from 78 to 400 K. It is found that different substrate surface preparations prior to thin film deposition have a significant effect on the conductance of the interface between film and substrate.


Soft Matter ◽  
2019 ◽  
Vol 15 (1) ◽  
pp. 116-126 ◽  
Author(s):  
Asaf Haddad ◽  
Hillel Aharoni ◽  
Eran Sharon ◽  
Alexander G. Shtukenberg ◽  
Bart Kahr ◽  
...  

Geometric frustration provides a path for conveying twist across length scales and for producing size dependent twist in macroscopic assemblies, thus shining a light on the formation of twisted molecular crystals.


Author(s):  
Jun Liu ◽  
Mohamed Alhashme ◽  
Ronggui Yang

Carbon nanotubes (CNTs) have been reported to have excellent thermal and mechanical properties over the past two decades. However, the practical application of CNT-based technologies has been limited, due to the inability to transform the excellent properties of single CNTs into macroscopic applications. CNT network structure connects CNTs and can be possibly scaled up to macro-scale CNT-based application. In this paper, nonequilibrium molecular dynamics is applied to investigate thermal transport across two CNTs connected longitudinally by molecular linkers. We show the effect of different types and lengths of molecular linkers on interfacial thermal conductance. We also analyze the density of vibrational normal modes to further understand the interfacial thermal conductance between different molecular linkers and CNTs. These results provide guidance for choosing molecular linkers to build up large-scale CNT-based network structures.


2020 ◽  
Vol 56 (3) ◽  
pp. 2241-2274
Author(s):  
S. Q. Jia ◽  
F. Yang

Abstract Copper/diamond composites have drawn lots of attention in the last few decades, due to its potential high thermal conductivity and promising applications in high-power electronic devices. However, the bottlenecks for their practical application are high manufacturing/machining cost and uncontrollable thermal performance affected by the interface characteristics, and the interface thermal conductance mechanisms are still unclear. In this paper, we reviewed the recent research works carried out on this topic, and this primarily includes (1) evaluating the commonly acknowledged principles for acquiring high thermal conductivity of copper/diamond composites that are produced by different processing methods; (2) addressing the factors that influence the thermal conductivity of copper/diamond composites; and (3) elaborating the interface thermal conductance problem to increase the understanding of thermal transferring mechanisms in the boundary area and provide necessary guidance for future designing the composite interface structure. The links between the composite’s interface thermal conductance and thermal conductivity, which are built quantitatively via the developed models, were also reviewed in the last part.


2020 ◽  
Vol 860 ◽  
pp. 1-26 ◽  
Author(s):  
Zhongwei Zhang ◽  
Yulou Ouyang ◽  
Yuan Cheng ◽  
Jie Chen ◽  
Nianbei Li ◽  
...  

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