Understanding the atomic diffusion features in metallic material is significant to explain the diffusion-controlled physical processes. In this paper, using electromigration experiments and molecular dynamic (MD) simulations, we investigate the effects of grain size and temperature on the self-diffusion of polycrystalline aluminium (Al). The mass transport due to electromigration are accelerated by increasing temperature and decreasing grain size. Magnitudes of effective diffusivity (Deff) and grain boundary diffusivity (DGBs) are experimentally determined, in which theDeffchanges as a function of grain size and temperature, butDGBsis independent of the grain size, only affected by the temperature. Moreover, MD simulations of atomic diffusion in polycrystalline Al demonstrate those observations from experiments. Based on MD results, the Arrhenius equation ofDGBsand empirical formula of the thickness of grain boundaries at various temperatures are obtained. In total,DeffandDGBsobtained in the present study agree with literature results, and a comprehensive result of diffusivities related to the grain size is presented.@en

In high power electronics packaging, sintered silver nanoparticle joints suffer from thermal-humidity- electrical-chemical joint driven corrosion in extreme environments. In this paper, we conducted aging tests on sintered silver nanoparticles under high-temperature, high-humidity, and high-sulphur conditions. The results show that: (1) the sample under the dry high-sulphur conditions at a high temperature exhibited the highest degree of sulphidation; (2) Reactive force field (ReaxFF) molecular dynamics (MD) simulations of sintered silver nanoparticle sulphidation revealed the sulphidation layer was formed by silver atoms upward migration. This work paves the way for further investigation on sintered silver nanoparticles corrosion considering multi-physics coupling effects.@en

As a promising technology for high-power and high-temperature power electronics packaging, nanocopper (nanoCu) paste sintering has recently received increasing attention as a die-attachment. The high-temperature deformation of sintered nanoCu paste and its underlying mechanisms challenge the reliability of high-power electronics packaging. In this study, the tensile deformation behaviors of sintered nanoCu paste were firstly characterized by high-temperature tensile tests performed at various temperatures and strain rates ranging from 180 °C to 360 °C, 1 × 10−4 s−1 to 1 × 10−3 s−1 respectively. It was found that the elastic modulus and tensile strength decreased at the higher tensile temperature while the ductility increased accordingly. The highest elastic modulus and tensile strength results were 12.15 GPa and 46.97 MPa, respectively. Second, failure analysis was conducted based on the fracture surface after tensile testing. Recrystallization was revealed as the main factor for ductility improvement. Subsequently, an Anand model was fitted by stress-strain curves to describe the tensile constitutive behavior of the sintered nanoCu paste. Multi-scale modelling techniques also investigated the impact of tensile temperature and strain rate on the tensile response. Molecular dynamics simulation was implemented using a hemispherical Cu nanoparticle model to reveal the properties from an atomistic perspective. In addition, a two-dimensional equivalent model was further established by using a stochastically distributed void morphology. The multi-scale modelling techniques successfully describe the evolution of tensile response to the different tensile temperatures and strain rates. Besides, the equivalent model with random void morphology was demonstrated as the finite element simulation results were highly consistent with the high-temperature tensile experiments.@en

A molecular dynamics (MD) simulation was performed on the coalescence kinetics and mechanical behavior of the pressure-assisted Cu nanoparticles (NPs) sintering at low temperature. To investigate the effects of sintering pressure and temperature on the coalescence of the nanoparticles, sintering simulations of two halve Cu NPs were conducted at the pressure of 0–300 MPa and the temperature of 300–500 K. A transition of the dominant coalescence kinetics from slight surface diffusion to intensive grain boundary diffusion and dislocation driven plastic flows were found when pressure was applied. Furthermore, atomic trajectories showed the effect of temperature on sintering was strongly dependent on the microstructures of Cu NPs. The atomic diffusion around defects can be significantly promoted by the elevated temperature. Additionally, based on the sintered structures, uniaxial tension simulation was implemented with a constant strain rate. Stress–strain curves and evolution of dislocation activities were derived. Improved mechanical behaviors, including larger elastic modulus and larger tensile strength, were obtained in the structure sintered under higher pressure and temperature. Among this study, sintering temperature and pressure consistently exhibited the same relative impact on affecting both coalescence and the mechanical properties of the sintered structure.@en

The power semiconductor joining technology through sintering of copper nanoparticles is well-suited for die attachment in wide bandgap (WBG) semiconductors, offering high electrical, thermal, and mechanical performances. However, sintered nanocopper will be prone to degradation resulting from corrosion in sulfur-containing corrosive environments such as offshore areas. In this study, experiments, including aging test and corrosion characterization, and simulations based on density functional theory (DFT) studies were conducted to explore the corrosion behavior and mechanism of elemental sulfur (S8) and hydrogen sulfide (H2S) on sintered nanocopper. The experimental results indicated that loose corrosion products were observed on the sintered nanocopper during the ageing process involving S8, and compact layered corrosion products formed during the ageing process involving H2S. Furthermore, similar corrosion product compositions (Cu2O, Cu2S, CuO, CuS, and potentially Cu2SO4 or CuSO4) were observed in both the S8- and H2S-ageing processes. However, the S8-ageing process exhibited more noticeable corrosion penetration. This was explained in simulations results: the unsaturated Cu sites on the oxide layer [Cu2O(1 1 1)] of the sintered nanocopper could adsorb both H2S and S8, while the saturated Cu sites only exhibited the potential to adsorb S8.@en

The power semiconductor joining technology through sintering of copper nanoparticles is well-suited for die attachment in wide bandgap (WBG) semiconductors, offering high electrical, thermal, and mechanical performances. However, sintered nanocopper will be prone to degradation resulting from corrosion in sulfur-containing corrosive environments such as offshore areas. In this study, experiments, including aging test and corrosion characterization, and simulations based on density functional theory (DFT) studies were conducted to explore the corrosion behavior and mechanism of elemental sulfur (S8) and hydrogen sulfide (H2S) on sintered nanocopper. The experimental results indicated that loose corrosion products were observed on the sintered nanocopper during the ageing process involving S8, and compact layered corrosion products formed during the ageing process involving H2S. Furthermore, similar corrosion product compositions (Cu2O, Cu2S, CuO, CuS, and potentially Cu2SO4 or CuSO4) were observed in both the S8- and H2S-ageing processes. However, the S8-ageing process exhibited more noticeable corrosion penetration. This was explained in simulations results: the unsaturated Cu sites on the oxide layer [Cu2O(1 1 1)] of the sintered nanocopper could adsorb both H2S and S8, while the saturated Cu sites only exhibited the potential to adsorb S8.@en

This paper analyzes the mechanical properties of tungsten disulfide (WS2) by means of multiscale simulation, including density functional theory (DFT), molecular dynamic (MD) analysis, and finite element analysis (FEA). We first conducted MD analysis to calculate the mechanical properties (i.e., Young's modulus and critical stress) of WS2. The influence of different defect types (i.e., point defects and line defects) on the mechanical properties are discussed. The results reveal that WS2 has a high Young's modulus and high critical stress. Next, the effects of defect density and temperature on the mechanical properties of the material were analyzed. The results show that a lower defect density results in improved performance and a higher temperature results in better ductility, which indicate that WS2 can potentially be a strain sensor. Based on this result, FEA was employed to analyze the WS2 stress sensor and then fabricate and analyze the device for benchmarking. It is found that the FEA model proposed in this work can be used for further optimization of the device. According to the DFT results, a narrower band gap WS2 is found with the existence of defects and the applied strain. The proposed multiscale simulation method can effectively analyze the mechanical properties of WS2 and optimize the design. Moreover, this method can be extended to other 2D/nanomaterials, providing a reference for a rapid and effective systematic design from the nanoscale to macroscale. @en

Nano-metal materials have received considerable attention because of their promising performance in wide bandgap semiconductor packaging. In this study, molecular dynamics (MD) simulation was performed to simulate the nano-Cu sintering mechanism and the subsequent mechanical behaviors. Hybrid sintering, comprising nanosphere (NS) and nanoflake (NF), was performed at temperatures from 500 to 650 K. Furthermore, shear and tensile simulations were conducted with constant strain rates on the sintered structure at multiple temperatures. Subsequently, the extracted mechanical properties were correlated with the sintering behavior. The results revealed that the mechanical properties of the nano-Cu sintered structure could be improved by tuning material composition and increasing the sintering temperature. We established a relationship between the sintered microstructure and mechanical response. The shear modulus and shear strength of the sintered structure with NF particles increased to 41.20 and 3.51 GPa respectively. Furthermore, the elastic modulus increased to 55.60, and the tensile strength increased to 4.88 GPa. This result provides insights into the preparation phase of nano-Cu paste for sintering technology.@en

Driving by the increased demand for hermetic packaging in the more than Moore (MtM) roadmap, a Cu nanoparticle sintering-enabled hermetic sealing solution was developed with a small-size sealing ring. The developed technology simplifies microfabrication and requires less surface roughness using a sinterable Cu nanoparticle paste. A 50μm size Cu paste sealing ring was achieved using a lithography patterned photoresist as a stencil mask. A groove-structured chip was used to amplify localized stress. The Cu nanoparticle paste was fully sintered at 300 °C under pressure ranging from 10 to 40 MPa resulting in a robust bonding with a maximum shear strength of 280 MPa and implementing hermetic packaging. The deflection of the Si diaphragms estimated a vacuum level of 7 kPa. Vacuum sealing was maintained for over six months, and the lowest leak rate was calculated as 8.4× 10 -13Pa·m 3/s. The developed technology that comprises small-size patterning and pressure-assisted sintering offers the potential for a simple, cost-effective, but robust solution for hermetic packaging.@en

As a critical part of speeding up industrial electrification, power electronics, and its packaging technology are undergoing rapid development. Cu nanoparticle sintering technology has therefore received extensive attention for its excellent performance in the die-attachment layer, where the mechanical properties are essential to be known for design for reliability. Both sintering and subsequent nanoindentation were studied by simulation. The effect of porosity on the nanoindentation response was investigated by setting different initial packing densities. In addition, the impact of indenter size and indentation positions on the nanoindentation response were discussed. The nanoindentation behaviors were studied by extracting loading-displacement (P-h) curves and calculating elastic modulus and hardness. In addition, the microstructure evolution was adopted using atomic configuration to study the nanoindentation mechanism. This work offers valuable insights into the Cu sinter paste preparation phase for sintering technology.@en

During operation in environments containing hydrogen sulfide (H2S), such as in offshore and coastal environments, sintered nanoCu in power electronics is susceptible to degradation caused by corrosion. In this study, experimental and molecular dynamics (MD) simulation analyses were conducted to investigate the evolution and mechanism of H2S-induced corrosion of sintered nanoCu, and bulk Cu was used as the reference. The following results are obtained: (1) Both sintered nanoCu and bulk Cu reacted with O2 prior to reacting with H2S, forming Cu2O, Cu2S, CuO, and CuS. In addition, sintered nanoCu exhibited more severe corrosion. (2) For both sintered nanoCu and bulk Cu, H2S-induced corrosion resulted in the deterioration of electrical, thermal, and mechanical properties, and sintered nanoCu experienced a greater extent of deterioration. (3) As was ascertained through Reactive Force Field (ReaxFF) MD simulations, the penetration of H2S and O2 combined with the upward migration of Cu resulted in the formation of a corrosion film. In addition, compared to bulk Cu, the H2S and O2 penetration in the sintered nanoCu structure was observed to occur to a greater depth, accounting for the more pronounced performance degradation.@en

The rapid development of power electronics has challenged the thermal integrity of semiconductor packaging. Further developments in this domain can be supported significantly by utilizing fast and flexible thermal characteristic evaluation. This study employs the transient dual interface method (TDIM) to characterize and compare the thermal resistance of Ag- and Cu-sintered die-attach joints using an in-house developed thermal test chip (TTC). The proposed TTC with 82.5% active area achieves a temperature sensitivity of 12 Ω/K and maximum power of 360 W per cell, which are 50% and 44% higher than the state-of-the-art, respectively. The uniformity of the temperature distribution (1 °C at 68 W) is verified by infrared thermography. The cost-effective manufacturing process allows the design to be applied to any substrate, such as SiC or GaN. Ag and Cu sintering is performed to bond the TTC on a Cu substrate, and the junction-to-case thermal resistance of the sintered structures is extracted. The lowest junction-to-case thermal resistance of 0.144 K/W is measured for the device sintered using Ag paste. Meanwhile, the Cu sintered structure exhibits a comparable value of 0.158 K/W. The proposed TTC in combination with TDIM accelerates the introduction of novel and cost-effective materials such as Cu.@en

Nano-copper sintering is one of new die-attachment and interconnection solutions to realize the wide bandgap semiconductor power electronics packaging with benefits on high temperature, low inductance, low thermal resistance and low cost. Aiming to assess the high-temperature reliability of sintered nano-copper die-attachment and interconnection, this study characterized the mechanical properties of sintered nano-copper particles using the high-temperature nanoindentation tests. The results showed that: firstly, the hardness and indentation modulus of the sintered nano-copper particles increased rapidly when the loading rate increased below 0.2 mN·s−1 and then stabilized, and decreased with increased applied load up to 30 mN. Next, by extracting the yield stress and strain hardening index, a plastic stress–strain constitutive model at room temperature for sintered nano-copper particles was obtained. Finally, the high temperature nanoindentation tests were performed at 140 ˚C–200 ˚C on the sintered nano-copper particles prepared under different assisted pressures, which showed that a high assisted pressure resulted in the reduced temperature sensitivity of hardness and indentation modulus. The creep tests indicated that high operation temperature resulted in a high steady-state creep rate, which negatively impacted the creep resistance of sintered nano-copper particles, while the higher assisted pressure could improve the creep resistance.@en

Advances in semiconductor device manufacturing technologies are enabled by the development and application of novel materials. Especially one class of materials, nanoporous films, became building blocks for a broad range of applications, such as gas sensors and interconnects. Therefore, a versatile fabrication technology is needed to integrate these films and meet the trend towards device miniaturization and high integration density. In this study, we developed a novel method to pattern nanoporous thin films with high flexibility in material selection. Herein, Au and ZnO nanoparticles were synthesized by spark ablation and printed on a Ti/TiO2 adhesion layer, which was exposed by a lithographic stencil mask. Subsequently, the photoresist was stripped by a cost-efficient lift-off process. Nanoporous patterned features were thus obtained and the finest feature has a gap width of 0.6 μ fm and a line width of 2 μ fm. Using SEM and profilometers to investigate the structure of the films, it was demonstrated that the lift-off process had a minor impact on the microstructure and thickness. The samples presented a rough surface and high porosity, indicating a large surface-to-volume ratio. This is supported by the measured conductivity of Au nanoporous film, which is 12% of the value for bulk Au. As lithographic stencil printing is compatible with conventional lithographic pattering, this method enables further application on mass production of various nanoporous film-based devices in the future.@en

Nano-metal materials sintering has received increasing attention in recent years for its promising performance in the wide bandgap semiconductor packaging. In this paper, molecular dynamics (MD) simulation method were applied to simulate the nano-Cu sintering mechanism and the subsequent mechanical behavior. Hybrid sintering, comprising nanosphere (NS) and nanoflake (NF), was carried out at temperatures ranging from 500K to 650K. Furthermore, shearing simulations were conducted with constant strain rates on the sintered structure at multiple temperatures, and subsequently correlated the extracted mechanical properties with the sintering behavior. The results indicated that the mechanical properties of nano-Cu sintered structure were improved by tuning material composition and increasing the sintering temperature. We established a relationship between the sintered microstructure and mechanical response, the shear modulus and shear strength of the sintered structure with NF particles increased to 41.2GPa and 3.51GPa respectively. It offers valuable insights into the preparation phase of nano Cu paste for sintering technology.@en

A micro-scale pressure sensor based on suspended AlGaN/GaN heterostructure is reported with non-linear sensitivity. By sealing the cavity, vacuum sensing at various temperatures was demonstrated. To validate the proposed concept of the AlGaN/GaN vacuum sensor, a 700 µm diameter circular membrane was electrically characterized under applied static and dynamic pressures at various temperatures ranging from 25 °C to 100 °C. The current change of the AlGaN/GaN heterostructure increased as the vacuum and temperature increases due to the increase of 2DEG density by tensile strain. The dynamic current change from 96 kPa down to 10 Pa of AlGaN/GaN heterostructure pressure sensor was 18.75 % at 100 °C. The maximum sensitivity reached 22.8 %/kPa with a power consumption of 1.8 µW. These results suggest that suspended AlGaN/GaN heterostructures are promising for high vacuum and high-temperature sensing applications.@en

To fulfill the high-temperature application requirement of high-power electronics packaging, Cu nanoparticle sintering technology, with benefits in low-temperature processing and high-melting point, has attracted considerable attention as a promising candidate for the die-attach interconnect. Comprehensive mechanical characterization of the sintered layer at a microscale is necessary to deepen the understanding of the fracture behavior and improve the reliable design of materials. In this study, microscale cantilevers with different notch depths were fabricated in a 20 MPa sintered interconnect layer. Continuous dynamical fracture testing of the microcantilevers was conducted in situ in a scanning electron microscope to detail the failure characteristic of the porous sintered structure. The microscopic fracture toughness of different notched specimens was obtained from the J-integral in the frame of elastic-plastic fracture mechanics. Specimens with deeper notches presented higher resistance to crack extension, while geometry factors of notch-to-width ratio between 0.20 and 0.37 exhibited a relatively stable microscopic fracture toughness ranging from 3.2 ± 0.3 to 3.6 ± 0.1 MPa m1/2.@en

To meet the requirements of low temperature packaging and high temperature operation for wide bandgap semiconductors, the traditional reflow soldering is gradually substituted by the metallic nanoparticle sintering interconnection. However, the high sintering densification is one of necessities to achieve the high reliable packaging. To reveal the mechanism of nano-copper particles sintering interconnection, this paper firstly establishes the relationship between the particle size ratio and the stacking porosity through the three-dimensional (3D) non-isodiametric double sphere stacking modeling. Then, the Monte Carlo simulation is performed to investigate the sintering process of nano-copper particles with different size ratios. Finally, a sintering experiment with the mixture of two types of nano-copper particles is used to validate the proposed models and simulations. The results show that, according to three 3D stacking models, the stacking porosity is lowest when the particle size ratio is between 10:1 and 5:1. Through the Monte Carlo simulation, the model with a particle size ratio of 5:1 has the largest sintering shrinkage. The experiment by mixing the 250 nm and 50 nm nano-copper particle shows the highest relative density of sintered samples when the particle mass ratio is 8:1, which is consistent with the theoretical calculations. Thus, the proposed method in this study can provide theoretical supports to the nano-copper sintering interconnection application and process optimization in the wide bandgap semiconductor packaging.@en