Pressureless sintered Ag pastes are promising die-attach materials for power electronics, yet practical sintering-profile optimization still relies heavily on trial-and-error, and the link from thermal kinetics to fracture-relevant microstructure and strength remains insufficiently established. In this work, a thermal-kinetics-guided workflow was developed to design paste-specific pressureless sintering profiles for two commercial Ag pastes (a spherical-particle paste and a flake-based paste) and to interpret the resulting strength–fracture response using SEM-based, heterogeneity-aware learning. Multi-heating-rate TGA was used to define the conversion fraction (α), while DSC was used to identify the dominant thermal-event window and extract the characteristic peak temperature for Arrhenius pairing. The TGA-defined conversion evolution was then modeled using a JMAK/Avrami form with Arrhenius temperature dependence to predict the isothermal holding time required to reach a target conversion at a selected dwell temperature. Relative to supplier-recommended profiles, the optimized profiles increased die-shear strength by 35% for the spherical-particle paste and by 206% for the flake-based paste, and promoted a fracture-mode transition from interfacial debonding toward mixed/cohesive fracture. Pearson/Ridge baselines and attention-based multiple-instance learning (MIL) linked strength and fracture-mode distribution to porosity/connectivity-related descriptors; paste-wise normalization mitigated paste-specific baselines and enabled MIL to reveal profile-induced microstructure–performance co-variation. Overall, this study establishes a practical workflow that couples thermal-kinetics-guided profile design with mechanical and fractographic validation and interpretable microstructure–property attribution, supporting mechanism-informed optimization of pressureless sintered Ag die-attach pastes.

Two-dimensional materials (2DMs)-based devices exhibit aerospace potential due to their superior properties. However, the operational reliability of 2DMs-based devices in space environments is significantly influenced by charged-particle radiation, necessitating rigorous ground-based radiation tolerance assessments. Current research on radiation effects in 2DMs is primarily experimental, yet such methodologies are inherently time-consuming, resource-intensive, and limited in throughput. To address these challenges, computational modeling and simulation techniques are increasingly being integrated with experimental characterization to accelerate materials design and unravel underlying physical mechanisms. This review systematically evaluates the state-of-the-art multiscale computational frameworks for 2DMs research, focusing on recent advancements, technical challenges, and emerging opportunities. A novel integrative approach is proposed, combining density functional theory, molecular dynamics, Monte Carlo, finite element analysis, and machine learning techniques. Particular emphasis is placed on addressing challenges in multiscale modeling, including accurate representation of complex phenomena across spatial and temporal scales under extreme environmental conditions. Conversely, opportunities for enhancing predictive capabilities are highlighted, with implications for expediting materials discovery in electronics, photonics, energy storage, catalysis, and nanomechanical systems. This comprehensive survey provides a strategic roadmap for future research directions in multiscale computational modeling of 2DMs, emphasizing interdisciplinary methodologies that bridge atomistic simulations with macroscale engineering applications. The insights presented herein aim to advance the development of radiation-hardened 2DMs-based devices for next-generation aerospace systems.

Reliable 4H-SiC for high-power electronics and quantum photonics requires a quantitative understanding of how contact loading drives microstructure evolution and load-bearing/fracture response in epitaxial layers. Here, we integrate instrumented indentation, confocal micro-Raman residual-stress metrology, atomistic molecular dynamics (MD), and high-resolution TEM (HRTEM) to establish processing–microstructure–mechanical property linkages in chemical vapor deposition (CVD) 4H-SiC epilayers. At peak depths of 600–1050 nm, indentation promotes Palmqvist-type radial cracks and the apparent indentation toughness K_IC increases from 0.87 ± 0.08 to 1.20 ± 0.05 MPa m^1/2 with depth, consistent with plastic-zone growth and dislocation shielding. E₂(TO) Raman mapping quantifies an increase in residual stress from ∼302 ± 60 to ∼665 ± 72 MPa. It also shows that the incremental broadening of the FWHM becomes less pronounced beyond ∼750 nm, suggesting that the near-surface disorder indicator within the Raman probe volume approaches a quasi-steady level. MD captures a 4H → 3C phase transformation, amorphization beneath indenter ridges, and dislocation nucleation/growth, which HRTEM directly corroborates. The combined measurement–model–validation closed loop yields a depth-dependent relationship between residual-stress accumulation and apparent toughness, converting them into an actionable processing window: constraining penetration depth below ∼0.75 μm limits residual stress and near-surface disorder. These results provide physics-based guidance for machining and packaging of 4H-SiC epilayers and illustrate a transferable framework for brittle, anisotropic ceramics.

Sintered Cu nanoparticles (Cu NPs) are promising interconnection materials for high-temperature power electronics, yet how their authentic three-dimensional pore architecture governs microscale deformation remains unclear. Here, synchrotron nano-computed tomography (nano-CT) was combined with in-situ micropillar compression, explicit dynamic elastoplastic finite element analysis, and TEM/TKD characterization to interrogate sintered Cu NPs. The nano-CT voxel size was 45 nm, and the reconstructed volume corresponded to a cylinder 16 µm in diameter and 10 µm in height. The average sectional porosity was 12.44%, with a systematic discrepancy between two-dimensional and three-dimensional porosity quantification. During loading, the porosity decreased to 9.55% while the pore aspect ratio increased from 1.82–2.35. Finite element analysis further showed pronounced pore-adjacent stress/strain localization at the elastic–plastic transition, with local stress and equivalent plastic strain reaching 650 MPa and 1.7 × 10⁻², compared with 250 MPa and 1.1 × 10⁻³ in adjacent regions. The GND density increased by 95.9% at a compressive strain of 26%, linking pore-induced strain gradients to dislocation accumulation. These results quantitatively connect authentic three-dimensional pore architecture, local deformation localization, and dislocation-mediated strengthening in sintered Cu NPs. Highlights Synchrotron nano-CT (45 nm voxel size) reconstructed a 16 × 10 µm cylindrical volume of sintered Cu NPs and resolved the authentic 3D pore network. Sectional porosity was 12.44%, and 2D/3D quantification showed a systematic discrepancy, with porosity decreasing to 9.55% and pore aspect ratio increasing from 1.82 to 2.35 during compression. Pore-adjacent localization was quantified at the elastic–plastic transition, with local stress/PEEQ reaching 650 MPa and 1.7 × 10⁻² versus 250 MPa and 1.1 × 10⁻³ in adjacent regions. A 95.9% increase in GND density at 26% compressive strain links pore-induced strain gradients to dislocation accumulation and strain-gradient-driven strengthening.

This paper investigates the surge reliability of commercial 1200V SiC MOSFETs through a combined approach of experimental testing and multiphysics simulation, elucidating the failure mechanisms under both step and repetitive surge current stress. The innovative integration of package-level electro-thermal coupling simulation with transient junction temperature estimation overcomes the limitations of conventional methodologies that rely solely on decapsulation analysis and Technology Computer Aided Design (TCAD) simulation. Experimental evaluations on six Devices Under Test (DUTs) with distinct structural configurations, employing surge testing and failure analysis techniques including C-mode Scanning Acoustic Microscopy (C-SAM), optical microscopy, and Scanning Electron Microscope (SEM), confirm that device failure primarily originates from gate-source short circuits caused by aluminum bonding wire melting. COMSOL multiphysics simulations further replicate the transient thermal characteristics of bonding wire regions, demonstrating rapid temperature escalation to the Aluminum melting point within 5-6 ms during surge events. A transient thermal resistance-based junction temperature characterization method is proposed, revealing an inverse proportionality between thermal resistance and chip area.

The reliability of through-glass via (TGV) interconnects is critical for advanced semiconductor packaging. This work investigates microstructural and mechanical evolution in electroplated TGV–Cu subjected to long-term aging at 250 °C. TGV samples were fabricated via laser-induced etching and double-sided copper electroplating, then aged for up to 1008 h. Nanoindentation revealed region-dependent reductions in hardness (from 2.0–2.5 GPa to below 0.5 GPa) and modulus (from 110–130 GPa to 40–90 GPa), with surface-near regions most affected. The glass substrate maintained stable mechanical properties until microcracks formed after 1008 h. EBSD quantification showed grain-size enlargement from 0.46 µm to 1.86 µm and a concurrent decrease in dislocation density. Molecular dynamics simulations of 3, 4, 5 nm grains corroborated the inverse relationship between grain size and micro-mechanical properties. A hybrid Potts-phase field model further linked grain coarsening to stress relaxation and elastic-energy minimization, revealing that as grains grow, the overall von Mises stress in the structure decreases; high-modulus grains retain relatively higher local stresses, while low-modulus, low-stress grains exhibit faster growth rates. Electrical I–V measurements confirmed stable ohmic behavior, despite a drop in insulation resistance. These integrated experimental and computational insights provide theoretical guidance for optimizing TGV interposer design and ensuring long-term operational reliability in heterogeneous integration technologies. (Figure presented.)

This study is motivated by a conceptual inconsistency in the physical interpretation of eight-chain hyperelastic theory, which arises from the combined effect of two distinct issues: the use of the marginal projection distribution p_z(|r_z|) as a surrogate for the full probability density of end-to-end distance p_r̄(r̄), and the subsequent reliance on a root mean square (RMS) approximation step in the micro–macro averaging of chain stretch. We first revisit this probabilistic mismatch by reformulating the probability density function of freely-jointed chains (FJCs) in terms of the squared end-to-end vector r², thereby restoring consistency on chain-level statistics. Building on this formulation, the micro–macro mapping averaging of chain conformational free energy is constructed directly in terms of r², leading to a one-step mean-field approximation that avoids RMS averaging. The modified probability transformation is examined by Monte Carlo sampling at the microscopic level. To account for interchain interactions, q-mean statistical description of micro tube confinement was incorporated, leading to the appearance of the general invariant I_q=λ₁^q+λ₂^q+λ₃^q. The resulting continuum constitutive model is assessed against multiaxial experimental data for several polymer networks, including vulcanized natural rubber, Entec Enflex S4035A thermoplastic elastomer, Tetra-PEG, and isoprene rubber vulcanizate. Comparisons with three existing hyperelastic strain energy formulations, the extended eight-chain, extended tube models, and the four-parameter ”comprehensive” model, demonstrate comparable phenomenological accuracy of the current model while providing a clearer and more consistent micro–macro physical interpretation of model parameters. A parametric study further illustrates how the dimensionless parameters n and q govern the shape of the macroscopic stress–strain responses. The present formulation provides a consistent theoretical basis within the scope of hyperelasticity and admits potential extensions toward more complex irreversible phenomena.

Ion implantation and subsequent annealing reshape the defect landscape and stress state of compound semiconductors, yet the temperature-dependent mechanisms in SiC remain incompletely understood. Here, we utilize molecular dynamics (MD) simulations and confocal micro-Raman measurements to resolve how implantation temperature and post-annealing regulate lattice disorder, amorphization kinetics, and residual-stress evolution in chemical vapor deposited (CVD) 4H-SiC. MD reveals surface-nucleated amorphization that propagates inward, whereas elevated implantation temperatures activate defect recombination pathways that suppress amorphous-layer formation. Raman signatures of optical-phonon shifts, linewidth broadening, and amorphization bands track the coupled evolution of lattice disorder and stress. Experimentally, increasing implantation temperature smooths the surface (S_a 0.133 → 0.101 nm) and reduces the amorphous-layer thickness (from ∼700 nm at 25°C to undetectable at 500°C), while driving more compressive residual stress (−57 → −132 MPa). Post-annealing largely restores phonon lifetimes and eliminates amorphization signatures, consistent with the recovery trends predicted by MD. These results delineate a thermal-treatment window that controls amorphization and residual stress in 4H-SiC, providing a transferable Raman-based methodology for nondestructive assessment of implantation-induced damage in compound semiconductors.

4H-SiC is widely employed in power electronic devices operating under high frequencies, voltages, and temperatures due to its exceptional physical properties. However, its inherent high hardness and elastic modulus induce inevitable residual stress during device fabrication. Raman spectroscopy, which leverages lattice dynamics, offers an effective, non-destructive, rapid, and contactless method for measuring these stresses. Nevertheless, its accuracy critically depends on precisely determining the Raman phonon deformation potential constant. This work investigates mechanically induced Raman shifts in 4H-SiC via first-principles calculations and in-situ Raman spectroscopy under hydrostatic and non-hydrostatic stress conditions. The E2(TO) and A1(LO) phonon modes exhibit sensitivity to hydrostatic stress, whereas A1(LO) remains largely unaffected under shear, reflecting directional vibrational differences. Theoretical predictions and experimental measurements agree well within 16% error, highlighting the effectiveness of Raman-based stress detection for 4H-SiC. This integrated theoretical–experimental approach provides a robust framework for stress and strain analysis, facilitating the design and fabrication of next-generation 4H-SiC electronic devices.

Van der Waals heterojunctions (vdWHs) have garnered significant attention for their promising applications in optoelectronics, attributed to their exceptional physical attributes. In this study, we present a straightforward approach to fabricating high-performance vdWHs photodetectors. Specifically, we prepared WSO_x/WS₂ vdWH photodetectors through the ozone oxidation of a WS₂ thin films at 100 °C. To characterize the morphology and optical properties of both the WS₂ and WSO_x/WS₂ thin films, we utilized atomic force microscopy (AFM) and Raman spectroscopy. Additionally, X-ray photoelectron spectroscopy (XPS) was employed to delve into the structural evolution by scrutinizing the bonding states of W, O, and S in the WS₂ before and after the ozone oxidation process. The resultant WSO_x/WS₂ vdWH photodetectors exhibited impressive photoelectric performance at wavelengths of 475 nm and 532 nm. It demonstrated a high responsivity of 230.7 A/W, a remarkable specific detectivity of 1.794 × 10¹¹ Jones, and a swift response speed of 60 ms at 475 nm. Furthermore, first-principles calculations based on density functional theory (DFT) were conducted to validate the oxidation kinetics of monolayer WS₂, the type II energy band alignment, and the interlayer charge transfer within the WSO_x/WS₂ vdWH. This research contributes novel insights into the synthesis of two-dimensional transition metal oxides (TMOs)-transition metal dichalcogenides (TMDCs) heterostructures for photodetector applications.

Accurate characterization and calculation of the interfacial stresses are of key importance for the optimization of the chip sintering process and the evaluation of the long-term reliability of the chip interconnect. In this study, the pioneering application of confocal Raman spectroscopy for the accurate, rapid, and nondestructive characterization of interfacial stresses at the interconnections of silicon carbide chips was undertaken. Silicon carbide chips (5 mm ∗ 5 mm) were mounted to active metal brazing substrates by pressure-assisted sintering using copper nanoparticles. Subsequently, finite element simulations were used to model the thermally induced deformation and stress in the SiC chip. The thermally induced warpage of the SiC chip was then measured using interferometry. Finally, confocal Raman spectroscopy was employed to measure the interface stress distribution at the SiC sintered copper interface. The results showed that finite element simulations could not accurately assess the thermally induced deformation and stress in the SiC chip. The proposed method based on confocal Raman spectroscopy for testing chip interconnection interface stresses achieved an excellent balance between accuracy, non-contact measurement, and non-destructive testing. The residual stress at the backside interface of the SiC chip was concentrated in the central region of the chip, with compressive stress values ranging from -139 MPa to -165 MPa. Theoretically, this study provides a new framework for modeling and researching the reliability of electronic packaging interfaces.

Reducing parasitic parameters and thermal resistance is critical for advancing power electronic devices. This article designs and evaluates the three printed circuit board (PCB) embedded 1200 V SiC mosfet half-bridge packaging cells, where the traditional wire bonding process is replaced by a redistribution layer (RDL) technique. A comprehensive evaluation of their electrical performance, thermal management, and mechanical performance is conducted. The three solutions that employ panel, active metal brazing (AMB), and lead—frame carriers, are developed through a streamlined process that includes die attach, molding, drilling, plating, and etching. This packaging approach readily reduces the parasitic inductance to below 5 nH. By utilizing a single-layer RDL with mutual inductance cancellation, the power loop inductance is reduced to as low as 2.4 nH (at 10 MHz), and the gate loop inductance to 1.57 nH (at 10 MHz). The junction-to-case thermal resistances of the three solutions are 1.88, 1.03, and 0.73 K/W, respectively. Compared with the other two packaging cells, the cell selecting AMB as a carrier reduces SiC mosfet operational stress and deformation by approximately 34% and 75%. The lead—frame carrier offers superior thermal dissipation for potential TO package replacement in half-bridge topologies, while the panel solution is promising for dual-sided cooling applications. With low thermal resistance, minimal stress, and excellent backside electrical insulation, the packaging cell with an AMB carrier is ideally suited for integration with heatsinks in traction inverters.

Sintered Cu nanoparticles (NPs) are promising for high-performance electronics due to their excellent thermal and electrical conductivity, as well as mechanical reliability. This study investigates the microscale mechanical behavior of sintered Cu NPs with a bimodal particle size distribution, focusing on strain rate and temperature effects. Micro-pillar compression tests were performed across strain rates of 0.0001 s⁻¹ to 0.01 s⁻¹ and temperatures from 25 °C to 350 °C. Results show that higher strain rates enhance yield strength through strain-rate hardening, while elevated temperatures lead to thermal softening and reduced mechanical stability. The Anand viscoplastic model accurately predicts these deformation behaviors. Microstructural analysis via scanning electron microscopy (SEM) and transmission electron microscopy (TEM) reveals localized deformation at 175 °C, with dislocations concentrated near the top surface and persistent porosity below, whereas at 350 °C, re-sintering and grain boundary diffusion create a denser microstructure. Phase-field fracture modeling further elucidates crack propagation, emphasizing the role of pore size and temperature. This combined experimental and modeling approach enhances understanding of viscoplastic deformation and fracture mechanisms in sintered Cu NPs, informing their use in interconnects, power electronics and thermal management systems.

This study investigates the size-dependent mechanical behavior and deformation mechanisms of sintered copper (Cu) nanoparticles (NPs) through micro-pillar (2–6 μm diameter) compression tests, scanning electron microscopy (SEM), transmission electron microscopy (TEM), transmission Kikuchi diffraction (TKD) analysis and molecular dynamics (MD) simulations. In-situ micro-pillar compression tests reveal a 25.9% reduction in yield strength (812 ± 64 MPa to 643 ± 47 MPa) with increasing pillar size, attributed to dislocation starvation in smaller pillars and porosity-driven strain localization in larger ones. TKD quantifies dynamic grain refinement (24.9% reduction in grain size) and geometrically necessary dislocation (GND) density escalation (74.8%), driven by stress gradients and grain boundary-mediated plasticity. Nanoindentation-derived elastic modulus (48.3 ± 11.1 GPa) exceeds micropillar values (29.5–33.9 GPa), reflecting substrate constraints in bulk testing. Microstructural analysis identifies a transition from shear banding in high-porosity pillars to uniform plasticity in denser systems, mediated by texture evolution (Brass/S components) and Schmid factor redistribution (62% increase in high-slip-activity grains). MD simulations of pressure-sintered Cu NPs elucidate atomic-scale mechanisms: dislocation nucleation at sintering necks, pore collapse-induced strain localization, and grain boundary sliding. These findings establish a multiscale framework linking porosity, grain refinement, and dislocation dynamics to mechanical performance, emphasizing microstructural optimization for enhanced reliability in microelectronic applications. The integration of MD simulations bridges atomic-scale mechanisms to microscale deformation, providing actionable insights for tailoring sintered Cu NPs via reduced porosity and controlled grain boundary architectures.