Interfacial Adhesion Strength Research Articles

Dynamic Peptide Nanoframework-Guided Protein Coassembly: Advancing Adhesion Performance with Hierarchical Structures.

Hierarchical structures are essential in natural adhesion systems. Replicating these in synthetic adhesives is challenging due to intricate molecular mechanisms and multiscale processes. Here, we report three phosphorylated peptides featuring a hydrophobic self-assembly motif linked to a hydrophilic phosphorylated sequence (pSGSS), forming peptide fibril nanoframeworks. These nanoframeworks effectively coassemble with elastin-derived positively charged proteins (PCP), resulting in complex coacervate-based adhesives with hierarchical structures. Our method enables the controlled regulation of both cohesion and adhesion properties in the adhesives. Notably, the complex adhesives formed by the dityrosine-containing peptide and PCP demonstrate an exceptional interfacial adhesion strength of up to 30 MPa, outperforming most known supramolecular adhesives and rivaling cross-linked chemical adhesives. Additionally, these adhesives show promising biocompatibility and bioactivity, making them suitable for applications such as visceral hemostasis and tissue repair. Our findings highlight the utility of bioinspired hierarchical assembly combined with bioengineering techniques in advancing biomedical adhesives.

Assessment of surface treatment methods for strengthening the interfacial adhesion in CARALL fiber metal laminates

Metal and polymer interface bonding significantly influences the mechanical performance of fiber metal laminates (FMLs). Therefore, the effect of surface treatments (mechanical abrasion, nitric acid etching, P2 etching, sulfuric acid anodizing (SAA), and electric discharge machine (EDM) texturing) carried on aluminum 2024-T3 alloy sheets was evaluated considering surface morphology, surface topography, and surface roughness. Further, the influence of surface treatments on interfacial adhesion strength and failure mode between the aluminum alloy and carbon fiber prepreg was investigated. The surface treatments increased the surface roughness of the aluminum substrates. Surfaces treated using SAA, nitric acid, and P2 etchant showed improved wettability, while mechanically abraded and EDM textured substrates showcased hydrophobic behavior. The selected surface treatments significantly affected interfacial adhesion between the epoxy polymer and aluminum alloy. SAA and EDM texturing greatly enhanced the interfacial peel strength of FMLs. In the case of interfacial shear strength, EDM textured substrate showed superior performance, followed by SAA. Moreover, untreated and mechanically abraded specimens exhibited weaker bonding and adhesive failure at the aluminum-epoxy interface, whilst chemical treatments resulted in mixed model failure. EDM textured surface underwent cohesive failure, while a dominant mixed mode failure and fiber adhesion were observed in the SAA-treated specimen.

Integrating Hydrogels and Biomedical Plastics via In Situ Physical Entanglements and Covalent Bonding.

Both rigid plastics and soft hydrogels find ample applications in engineering and medicine but bear their own disadvantages that limit their broader applications. Bonding these mechanically dissimilar materials may resolve these limitations, preserve their advantages, and offer new opportunities as biointerfaces. Here, a robust adhesion strategy is proposed to integrate highly entangled tough hydrogels and diverse plastics with high interfacial adhesion energy and strength. Systemic investigations on the effects of hydrogel monomer content and crosslink fraction revealed the significant contributions of both polymer physical entanglements and interfacial covalent bonding. This hybrid engineering strategy also enables the plastic-hydrogel composite to attenuate foreign body response caused by pristine rigid plastics in vivo in mice. This versatile materials engineering approach may be broadly applicable to other polymer-based devices commonly used in regenerative medicine and surgical robotics.

Patterned Ion‐Pair Membrane for High‐Temperature Proton‐Exchange Membrane Fuel Cells

Despite the many advantages of catalyst‐coated membranes (CCMs), there have been few studies of the use of CCMs to construct membrane‐electrode assemblies (MEAs) for high‐temperature polymer‐electrolyte membrane fuel cells (HT‐PEMFCs) using phosphoric acid (PA) doping. In this article, the use of membrane patterning to enable CCM to be utilized for HT‐PEMFCs is reported. A PA‐doped ion‐pair membrane and an electrode containing protonated phosphonic acid ionomers are employed to fabricate CCMs using the direct‐decal‐transfer method. A membrane with an inverted‐pyramid structure, created using solvent‐assisted patterning, further exploits the advantages of CCMs. The resulting CCM exhibits improved decal‐transfer efficiency, increased capillary infiltration of PA, and reduced PA loss during compression. The enlarged, interlocked, 3D structure increases the interfacial adhesion strength and the electrochemically active surface area compared to a conventional MEA with either a catalyst‐coated substrate or a flat CCM. Due to the morphological modification of the electrode, the patterned CCM also exhibits the lowest oxygen‐transport resistance among the MEAs. As a result of these enhancements, the patterned CCM achieves the high performance of 680 mW cm−2 at 160 °C in dry H2/air with low total Pt usage of 0.5 mg cm−2.

Improving interfacial thermal transport in silicon-reinforced epoxy resin composites with self-assembled monolayers

Epoxy resin (EP) based composite materials, due to their advantages such as light weight, ease of processing, and mechanical properties, have been widely applied across thermal packaging field. However, the overall thermal conductivity is constrained by the interfacial thermal resistance between the filler and the substrate. Existing studies suggest that self-assembled monolayers (SAM) can enhance the interfacial thermal conductance (ITC) by forming covalent bonds. Nevertheless, limited research has focused on using SAM to form bilateral covalent bonds to regulate ITC. Therefore, SAM capable of forming bilateral covalent bonds at the EP/silicon (Si) interface were employed to enhance ITC. In this study, time-domain thermoreflectance (TDTR) experiments and molecular dynamics (MD) simulations were conducted to investigate the EP/SAM/Si system. The results demonstrate that SAM-NH2 modification, which forms bilateral covalent bonds at the EP/Si interface, increased the interfacial adhesion strength and enhanced ITC to 140%, thereby significantly promoting interfacial heat transfer. Conversely, ITC was reduced with SAM-CH3 due to the formation of single covalent bond. Subsequently, the differential effective medium (DEM) model was used to determine that the thermal conductivity of the composite modified with SAM-NH2 was improved by 11%. This study provides new insights into adjusting ITC using SAM.

Stabilizing Metal Coating on Flexible Devices by Ultrathin Protein Nanofilms.

The significant modulus difference between a metal coating and a polymer substrate leads to interface mismatches, seriously affecting the stability of flexible devices. Therefore, enhancing the adhesion stability of a metal layer on an inert polymer substrate to prevent delamination becomes a key challenge. Herein, an ultrathin protein nanofilm (UPN), synthesized by disulfide-bond-reducing protein aggregation, is proposed as a strong adhesive layer to enhance adhesion between polymer substrate and metal coating. Unlike traditional biopolymer adhesives with micrometer-scale thicknesses, the UPN layer is minimized to nanometer/single-molecular scale. Such UPN thereby effectively enhances the interfacial adhesive strength and reduces the cohesion contribution in the entire adhesion system by directly connecting two interfaces with a nearly single-molecular thickness. Using UPN as the adhesive layer, a multifunctional metal coating could be reliably adhered on flexible polymer substrates by ion sputtering, delivering unprecedented adhesion stability even under repetitive mechanical deformation. Applications of this design include reversible transparency control, tension-responsive encryption, reusable optical sensing, and wearable capacitive touch sensors. This work highlights UPN's potential to create strong bonding strength between flexible polymers and metal coatings, offering a biocompatible solution with high surface activity and low cohesion, facilitating the development of hybrid devices with stable metal nano-coating.

Interlayer toughening effect of graphene oxide and polydopamine modified kevlar fiber on the carbon fiber panel/plastic honeycomb sandwich structure

This study examines the performance of modified Kevlar fiber-reinforced carbon fiber/plastic honeycomb panels. Graphene oxide (GO) is successfully grafted onto the Kevlar fiber surface using polydopamine (PDA) as a binding medium. The combined effect of GO and PDA's secondary functionalization significantly improves bonding strength. The toughened samples exhibit markedly higher peak force and energy absorption compared to the untoughened ones. Specifically, the PDA-GO-2 toughened specimen shows the best performance, with peak force and energy absorption increased by 70.9% and 109.4%, respectively. Kevlar fibers and resin form a complex "compound and rounded structure" at the edge of the honeycomb core. This structure enhances the bonding strength between the carbon fiber-reinforced polymer (CFRP) panel and the polypropylene (PP) honeycomb core. Furthermore, the PDA and GO treatment improves the fibers' wettability, tensile strength, surface roughness, and specific surface area, facilitating better mechanical interlocking between the fiber and resin. GO enhances the contact between epoxy resin and fibers by facilitating covalent and hydrogen bond interactions, resulting in a tighter transition interface that improves the interfacial adhesion strength between the fibers and the resin.

A novel adhesive with exceptional underwater adhesion properties, capable of complete curing in aquatic environments

Despite the challenges to the development of an underwater adhesive with strong and rapid properties, we innovatively proposed the use of tertiary amine groups to crosslink linear molecules containing urea groups, forming a mesh structure to achieve strong cohesion. Additionally, the formation of more high-energy crosslinks could enhance interfacial adhesion strength, resulting in the development of a novel adhesive that promised complete cure underwater with exceptional underwater adhesion properties. The tensile strength of this adhesive on an iron substrate was 8.07 MPa, which far surpassed commercially available adhesives used in the air. Atomic force microscopy measurements revealed microscopic adhesion forces up to 185.610 nN. Further studies demonstrated that the novel adhesive maintained excellent adhesion performance in saline solutions and at lower curing temperatures (0–10 °C), indicating promising applications in high-salinity, low-temperature aquatic environments. Moreover, the use of methyl propionate, a food-grade synthetic flavoring agent, as a reaction solvent not only provided hydrophobic protection, but also enhanced the safety of the adhesive, expanding its applications. This research presents a novel adhesive with strong underwater adhesion properties, with potential applications in high-salinity, low-temperature aquatic environments, thus offering new insights in this field.

Constructing ZSM-5 loaded with 2-mercaptobenzimidazole on glass fiber for enhancing the anti-corrosion and erosion resistance properties of epoxy coating

Glass fiber reinforced polymer coatings (GFRPC) are used to protect steel structures in harsh marine environments due to high mechanical strength and chemical stability. The composite coating not only suffers from impact damage by seawater and sediment but also experiences corrosion damage in the splash zone. However, the GF has weak interfacial adhesion with polymer resins due to the chemical inertia and smooth surface, which limits the service lifespan of GFPRC. Hence, ZSM-5 zeolite were in situ prepared on the surface of glass fibers by hydrothermal synthesis, and 2-mercaptobenzimidazole (MBI) was further adsorbed to obtain difunctional hybrid glass fibers (ZGFM) to enhance the interfacial adhesion strength of glass fiber/resin and also the erosion resistance and anti-corrosion ability of composite coatings. Compared to GF/EP, the interfacial shear strength of ZGFM/EP was increased by 104.39 %. After immersion under an alternating hydrostatic pressure of 20 MPa for 12 days, the impedance value of the ZGFM/EP composite coating remained at 6.40 × 109 Ω•cm2, demonstrating outstanding deep-sea anti-corrosion performance. Following the erosion test, the ZGFM/EP exhibited a reduction in mass loss and volume loss by 10.65 % and 12.55 %, respectively, in comparison to the pure EP coating. The excellent interfacial strength between ZGFM and EP ensured effective stress transfer, which prevented crack propagation, thus enhancing the mechanical properties and erosion resistance of the composite coating. Meanwhile, electrochemical experiment proves glass fiber with MBI loaded obviously inhibits the corrosion reaction.

Influence of doping elements X (X= Hf, Zr, Y, Re, Pd, Ir) on the structural stability and tension property of α-Al2O3/PtAl2-S interfaces

Pt-Al coatings are promising materials for protective materials for turbine blades in new-generation aero-engines. Therefore, it is worth noting that the interface stability and tension property between Pt-Al and the oxide layer, prolonging coating service time. However, systematic studies of doping elements effects on interface adhesion of α-Al2O3/PtAl2 with and without impurity S are still lacking. In this paper, the site preference of the six elements (Hf, Zr, Y, Re, Pd, and Ir) in the PtAl2 alloy, effects of doping elements on the interface adhesion and tension properties of the α-Al2O3/PtAl2-S interface are further explored, performing the first-principles calculation method. Considering comprehensively, Y doping has an excellent enhancement effect on the static interface adhesion and dynamic tensile strength, regardless of whether impurity element S exists in the α-Al2O3/PtAl2 interface. This study will provide necessary theoretical guidance for the composition design of Pt-Al coating and the research of new metal protective coating materials.

Soluble Polyimide Coated UHMWPE Fibers with Multiple Property Enhancements: Surface Activity, Tensile Strength, Heat Resistance, Acid Resistance, and Erasability.

Ultrahigh molecular weight polyethylene (UHMWPE) fibers possess excellent mechanical properties, yet their applications are severely limited by surface inertness and low melting points. To enhance surface activity and temperature resistance, soluble polyimide (PI) is applied to the surface of UHMWPE fibers. A mussel-inspired biomimetic polycatechol/polyamine (PA) coating is initially constructed on the UHMWPE fiber surface by oxidative self-polymerization, serving as a secondary reaction platform. Subsequently, multifunctional UHMWPE-PA-PI fibers are prepared by depositing soluble PI on the fiber surface via impregnation. The PA and PI layers are firmly bonded by hydrogen bonding interactions and physical adhesion. The results show that the PI-coated UHMWPE fiber surface exhibits enhanced chemical activity, hydrophilicity, and thermal stability, with an increased thermal decomposition temperature of approximately 30 °C. Compared to pristine UHMWPE, the breaking force of UHMWPE-PA-PI fibers increases by 14.9%, and the interfacial adhesion strength between the fiber and rubber improves by 65.5%. The PI coatings also provide thermal insulation, acid resistance, and erasability functionalities. This modification strategy is highly efficient, simple, and less damaging, offering a novel solution to address UHMWPE fibers' surface inertness and temperature intolerance.

Extraordinarily fast response all-solid-state electrochromic devices

Gel polymer electrolytes have been acknowledged as a promising candidate within the realm of electrochromic devices (ECDs) for addressing the safety concerns of liquid electrolytes and overcoming the poor ionic conductivity inherent in solid electrolytes. Herein, a novel strategy for the simple fabrication of in-situ UV-curable gel polymer electrolytes has been proposed to enhance ionic conductivity and promote interface interactions, thereby facilitating remarkably fast response times. After rapid photopolymerization, the electrolyte containing 10 wt% trimethylolpropane ethoxylate triacrylate exhibits the highest ionic conductivity (1.42 mS cm−1), which is raised to a value of 1.79 mS cm−1 by the incorporation of alumina inorganic nanoparticles. Additionally, the polymer electrolyte demonstrates high optical transmittance, relatively notable interface adhesive strength (26 KPa), and outstanding thermal stability, with only a 5 % weight loss observed up to 126 °C. These distinctive characteristics enable the fabrication of all-solid-state WO3-NiO ECDs characterized by large optical modulation (50.82 %), super-short switching times (0.8 s for bleaching and 4.0 s for coloration), and exceptional cycling stability (95.7 % after 10,000 cycles, and 77.4 % after 15,000 cycles). This article effectively explores a straightforward method for fabricating high-performance all-solid-state ECDs, simplifying the process flow and enhancing the application prospects for ECDs.

Self-Growing Hydrogel Bioadhesives for Chronic Wound Management.

Hydrogel bioadhesives have emerged as a promising alternative to wound dressings for chronic wound management. However, many existing bioadhesives do not meet the functional requirements for efficient wound management through dynamically mechanical modulation, due to the reduced wound contractibility, frequent wound recurrence, incapability to actively adapt to external microenvironment variation, especially for those gradually-expanded chronic wounds. Here, a self-growing hydrogel bioadhesive (sGHB) patch that exhibits instant adhesion to biological tissues but also a gradual increase in mechanical strength and interfacial adhesive strength within a 120-h application is presented. The gradually increased mechanics of the sGHB patch could effectively mitigate the stress concentration at the wound edge, and also resist the wound expansion at various stages, thus mechanically contracting the chronic wounds in a programmable manner. The self-growing hydrogel patch demonstrated enhanced wound healing efficacy in a mouse diabetic wound model, by regulating the inflammatory response, promoting the faster re-epithelialization and angiogenesis through mechanical modulation. Such kind of self-growing hydrogel bioadhesives have potential clinical utility for a variety of wound management where dynamic mechanical modulation is indispensable.

Effect of drying temperature on binder/current collector interfacial adhesion in electrode manufacturing of Li-ion batteries

Li-ion battery manufacturing process parameters are critical to the electrode properties and the final cell electrochemical performance. During the electrode drying process, the drying temperature plays a critical role on the binder migration, which affects the interfacial adhesion between the electrode and the current collector. However, the influence of the temperature on the properties of the binder material and the binder/current collector interface is yet unknown. In this work, we studied the effect of drying temperature on the interfacial adhesion between the binder and the current collector by direct coating of polyvinylidene fluoride (PVDF) solution on Al foil and then drying at various temperatures. The interfacial adhesion strength between the PVDF and the Al foil was significantly increased, from 9.72 N/m (dried at room temperature) to > 665.80 N/m (dried at 200 ℃) with increased temperature. DSC and XRD analyses showed the changes in the crystalline forms of PVDF under different drying temperature. This work revealed that the drying temperature during electrode manufacturing should be considered from the aspects of both binder migration in mid-stage and PVDF crystalline properties in late-stage solvent drying.

INVESTIGATION OF WETTABILITY, ANTIBACTERIAL ACTIVITY, THERMAL INSULATION, AND MECHANICAL CHARACTERISTICS OF ELASTOMER BLEND ADHESIVES WITH HIGH-DENSITY FIBERBOARD WOOD AND ALUMINUM

Attention has recently been given to finding alternative and sustainable raw material sources for wood and metal adhesives, such as polyvinyl alcohol (PVA), corn starch (CS), arabic gum (AG), and dextrins (D). Modifying polymer dispersion using unique substances, such as modifying reactive elastomer liquid (EL) using PVA, CS, AG, or D results in sufficiently moisture-resistant adhesive joins. In the present study, the physical characteristics of EL/blended with the natural polymers PVA, CS, AG, and D, based on high-density fiberboard (HDF) wood and aluminum (Al) adhesives and coatings, were investigated and compared to those of pure EL. The EL was blended with PVA, CS, AG, or D at a ratio of 60/40 (w/w) to form EL/blends. The chemical structures, surface and interface morphology, adhesion strengths (including shear strength and pull-off strength), surface roughness, wettings, color intensity, and thermal insulation of the prepared EL and EL/blends were investigated. A scanning electron microscopy (SEM) investigation confirmed filler dispersion and adhesion between the blends, and coated HDF wood, or Al. The developed EL/AG blend had a pull-off strength of 144±5 and 102±3 MPa and a shear strength of 771±11, and 52±3 N with HDF wood and Al substrate, respectively. The EL/PVA blend had a maximum surface roughness value 4.57 µm, and its average water contact angle (WCA) was 85.6°. A plasma jet was used to treat the surface roughness and hence the wettability of the pure EL and the EL/blends, for example, plasma treatment decreased the roughness of the EL/AG blend from 4.36 to 3.28 μm. WCA, and hence wettability, was also significantly influenced by plasma treatment, for example, plasma treatment decreased the WCA of the pure EL from 71.7±0.4° to 30.7±0.7°. The lightness value of the EL/blends was less than that of the pure EL, indicating that (the color adhesives have darkened). Similarly, the yellowness-blueness and redness-greenness values of the EL/blends were greater than those of the pure EL,( rendering the blended adhesives more reddish and bluish). The EL/AG blend was found to have a minimum thermal conductivity (of 0.27 W/m.K), indicating maximum insulation.

Engineering Triphasic Nanocomposite Coatings on Pretreated Mg Substrates for Biomedical Applications.

Biodegradable polymer-based nanocomposite coatings provide multiple advantages to modulate the corrosion resistance and cytocompatibility of magnesium (Mg) alloys for biomedical applications. Biodegradable poly(glycerol sebacate) (PGS) is a promising candidate used for medical implant applications. In this study, we synthesized a new PGS nanocomposite system consisting of hydroxyapatite (HA) and magnesium oxide (MgO) nanoparticles and developed a spray coating process to produce the PGS nanocomposite layer on pretreated Mg substrates, which improved the coating adhesion at the interface and their cytocompatibility with bone marrow derived mesenchymal stem cells (BMSCs). Prior to the spray coating process of polymer-based nanocomposites, the Mg substrates were pretreated in alkaline solutions to enhance the interfacial adhesion strength of the polymer-based nanocomposite coatings. The addition of HA and MgO nanoparticles (nHA and nMgO) to the PGS matrix, as well as the alkaline pretreatment of the Mg substrates, significantly enhanced the interfacial adhesion strength when compared with the PGS coating on the nontreated Mg control. The average BMSC adhesion densities were higher on the PGS/nHA/nMgO coated Mg than the noncoated Mg controls under direct contact conditions. Moreover, the addition of nHA and nMgO to the PGS matrix and coating the nanocomposite onto Mg substrates increased the average BMSC adhesion density when compared with the PGS/nHA/nMgO coated titanium (Ti) and PGS coated Mg controls under direct contact. Therefore, the spray coating process of PGS/nHA/nMgO nanocomposites on Mg substrates or other biodegradable metal substrates could provide a promising surface treatment strategy for biodegradable implant applications.

Interplay of Interfacial Adhesion and Mechanical Degradation in Anode-Free Solid-State Batteries

Abstract Anode-free solid-state batteries (AFSSBs) with an Ag-C interlayer are an innovative architecture because of their high energy density compared to conventional Li metal solid-state batteries. This work introduces simple methods to enhance the interfacial adhesion strength between the Ag-C interlayer and the solid electrolyte (SE) for better initial capacity of the cell, by controlling the cell assembling pressure to place together all components of the cell. Through contact angle experiments, our study unveils how the variation in the assembling pressure can significantly influence the contact angle between SE (at different assembling pressures) and Li metal, affecting their adhesion energy. Our electrochemical tests evidence that raising the assembling pressure from 350MPa to 530MPa outcomes an increment of more than 50% in initial capacity due to higher adhesion energies, with the corresponding energy density of 410 Wh/kg. Nonetheless, SE separator tends to crack beyond a critical assembling pressure of 530MPa that might cause a dramatic decrease of the cell performance. Our findings show that increasing the interfacial adhesion through different methods can prevent interface degradation and increase energy density of AFSSBs, affirming the vital role of interfacial adhesion between the Ag-C interlayer and SE separators, holding significant advances in anode free architectures.

Unraveling the impact of the design of current collector on dry-processed lithium-ion battery electrodes

Dry processing emerges as a cost-effective technique for achieving high material loading in the field of lithium-ion battery fabrication. Nevertheless, insight into the role of current collectors in this process is still scarce. Herein, a set of dry-processed electrodes with three different current collectors is accordingly prepared and comprehensively studied. This work novelly reveals that the current collectors exhibit significant influence on the interface adhesion strength and the electron conductivity, which leads to difference in the mechanical strength and electrochemical performance of dry-processed electrodes. Consequently, it is recommended that carbon-coated current collector is preferred for dry-processed high energy density lithium-ion battery electrodes.

Interlayer Friction and Adhesion Effects in Penta-PdSe2-Based van der Waals Heterostructures.

Due to their inherent lattice mismatch characteristics, 2D heterostructure interfaces are considered ideal for achieving stable and sustained ultralow friction (superlubricity). Despite extensive research, the current understanding of how interface adhesion affects interlayer friction remains limited. This study focused on graphene/MoS2 and graphene/PdSe2 heterostructure interfaces, where extremely low friction coefficients of ≈10-3 are observed. In contrast, the MoS2/PdSe2 heterostructure interfaces exhibit higher friction coefficients, ≈0.02, primarily due to significant interfacial interactions driven by interlayer charge transfer, which is closely related to the ionic nature of 2D material crystals. These findings indicate that the greater the difference in ionicity between the two 2D materials comprising the sliding interfaces is, the lower the interlayer friction, providing key criteria for designing ultralow friction pairs. Moreover, the experimental results demonstrate that interlayer friction in heterostructure systems is closely associated with the material thickness and interface adhesion strength. These experimental findings are supported by molecular dynamics simulations, further validating the observed friction behavior. By integrating experimental observations with simulation analyses, this study reveals the pivotal role of interface adhesion in regulating interlayer friction and offers new insights into understanding and optimizing the frictional performance of layered solid lubricants.

Joining and separating behavior of roughness interface in CF/PEEK nanocomposite

The rough contact plays an important role in the adhesion of carbon fiber/polymer matrix interface and interface modeling techniques are integral to quantify the effects of roughness factors on material properties. Taking the popular CF/PEEK materials as the object, an atomic method is proposed to construct CF/PEEK rough interfaces in this paper, which adopts a sinusoidal form to change the roughness regularly. Based on molecular dynamics (MD) simulations, CF/PEEK tensile separation experiment is processed and the response of the CF/PEEK interfaces with different roughness under mechanical loading are investigated. Based on the recorded CF/PEEK atomic force-displacement behavior, innovating roughness parameters, a traction separation law for the interface region is proposed. This study found the contact area between the two phases, which can be greatly improved through rough structures, determines the interfacial adhesion strength. In addition, this study observes interesting phenomena through the capturing atomic states, such as the polymer chains at the boundary between the two phases are greatly stretched.