Structure Of Interfacial Layer Research Articles

A "Flexible" Solvent Molecule Enabling High-Performance Lithium Metal Batteries.

Localized high-concentration electrolytes (LHCEs) exhibit good performance in lithium metal batteries. However, understanding how the intermolecular interactions between solvents and diluents regulate the solvation structure and interfacial layer structure remains limited. Here, we reported an LHCE in which strong hydrogen bonding between diluents and solvents alters the conformation and polarity of "flexible" solvent molecules, thereby effectively regulating the solvation structure of Li+ ion and promoting the formation of robust electrode interfaces. The endpoint H of the "flexible" chain O-CH-CH3 of the 2,5-dimethyltetrahydrofuran (2,5-THF) solvent and the F of the benzotrifluoride (BTF) diluent form strong hydrogen bonds, which expand the bond angle of the 2,5-THF molecule. The expanded bond angle increases the steric hindrance of the 2,5-THF and decreases its polarity. This leads to an increase in the anion content within the solvation structure, which in turn enhances the performance of both the lithium anode and the sulfurized polyacrylonitrile (SPAN) cathode. As a result, the lithium anode shows a Coulombic efficiency (CE) of as high as 99.4%. The assembled Li||SPAN battery exhibits impressive stability with an average CE of 99.8% over 700 cycles. Moreover, the Li||SPAN pouch cell can be stably cycled with a high energy density of 301.4 Wh kg-1.

The bonded interfacial layer structure of α-Al2O3 (0001)/water at different pH values studied by sum frequency vibrational spectroscopy.

Oxide/water interfaces are ubiquitous, with alumina/water drawing particular interest due to its environmental and industrial applications. Understanding the interfacial structure at the molecular level is crucial for many physical and chemical processes occurring there. However, the exact structure of interfacial H-bonded network at different pH values remains unclear. Here, sum-frequency vibrational spectroscopy in the OH stretch region was employed to study α-Al2O3 (0001)/water interface at different pH values, while suppressing the contribution of the diffusion layer by adding salts. The experimental results revealed although the variation of pH can charge the surface, it has little impact on the structure of the bonded interfacial layer (BIL). The interaction between alumina and water is mainly governed by weak hydrogen bonds. Furthermore, the templating effect of α-Al2O3 (0001) on the interfacial H-bonded network was observed, with the O-H stretch mode of ∼3430cm-1 exhibiting anisotropy consistent with the (0001) surface symmetry. These findings indicate that the BIL structure on Al2O3 (0001) is predominantly influenced by the surface atom configuration, and the effect of charge changes induced by pH on the BIL structure is negligible.

Multiscale study on the synergistic effect of interface heat transfer and filler structure on enhancing the thermal conductivity of boron nitride/alumina/polyurethane composites

The design and preparation of polymer composites for microelectronic package with high thermal conductivity is an important route to solve the thermal problem of electronic devices. The synergistic effect of interface heat transfer and hybrid filler structure on the enhancement of thermal conductivity in polyurethane composites was analyzed using a multiscale approach. Firstly, the interface heat transfer characteristics and strengthening mechanism of BN-TPU and Al2O3-TPU regulated by functionalization were analyzed by atomic scale calculation. Then, the thermal conductivity of BN/Al2O3/TPU composites under different interface thermal resistance, filler distribution, filler ratio and contents were studied through representative volume elements with interface layer structure. The results indicate that, due to the functionalized molecules increasing the phonon vibration overlap between the filler and matrix and thereby reducing the interface thermal resistance, the thermal conductivity of the composite materials shows an increasing trend with interface functionalization. Moreover, under the combined effects of constructing oriented BN structures, optimizing the ratio between BN and Al2O3, and regulating interface functionalization, the composites showed excellent thermal conductivity at low filler content. The research can provide important guidance for the preparation of highly thermal conductive polymer composites.

Damage mechanisms caused by radiation proton (ion beam) in double interface layer nano-MOS structure

In this study, the effects of ion beam (proton) on the PbO/SnO2/p-Si double interfacial layer MOS Schottky diode material were studied. The parameters of the ionizing radiation detection properties and radiation resistance of using double interfacial oxide layers were analyzed in MOS Schottky diodes. In the analysis, SRIM/TRIM software code was examined theoretically and modeled using simulation. The displacement per atom occurs more in the SnO2 oxide layer than in the other interface layer. This can be explained by the concept of Bragg Curve Peak, which occurs as a result of ion beam induced doping effect. It has been observed that the electrical properties of the PbO/SnO2/p-Si double interface layer MOS Schottky diode structure in terms of sensing ionizing radiation change after ion beam induced doping and the interface states are affected. It has been shown that our double interface layer nano-MOS structure can be used as a ion beam based sensor on these results. In addition to the inelastic collision, without causing ionization NIEL values of PbO and SnO2 layers were found to be 424.88 MeV. cm2/g and 524.9 MeV. cm2/g, respectively. These theoretical results were shown as graphs using the TRIM Monte Carlo simulation program and the behavior of the phonons in the layers was modeled. Additionally, LET values were calculated according to layers and compared with the simulation results of TRIM. While the LET value of the PbO layer was 889.3 MeV. cm2/g, the LET value of the SnO2 layer was determined to be 1639 MeV cm2/g. The LET concept is visually presented with the TRIM software and it is seen that the displacement per atom is highest in the SnO2 layer and the Bragg Curve reaches its maximum point. Thus, it can be seen that the SnO2 layer produces more transient damage and oxide interface traps compared to the PbO layer as ionizing radiation propagates between the oxide layers. By studying the effects of the ion beam source on the MOS Schottky diode structure, it is shown that the double interface layer structure increases the oxide interface traps and the SnO2 material is promising in terms of radiation sensing and detection properties. Moreover, MOS Schottky states that using a double interface layer instead of a single oxide layer in MOS structures positively increases the number of interface traps in the oxide layer for ion beam radiation detection.

Quantitative control of interfacial structure and thermal conductivity between diamond and copper via thermal diffusion of alloying element

The thermal property of diamond/metal composites mainly depends on the chemical bonding and structure of interfacial layers between two heterogeneous materials. To improve the thermal property of the diamond/metal composites, a metallic carbide layer that bridging both crystal structure and thermal transport of heterogeneous interfaces is required, though the formation mechanism of such carbide interfaces during powder sintering remains under debate, particularly for the scenario of varying thermal diffusion. Here, systematic experiments of diamond/Cu–Cr composites have been conducted to unravel the effects of two important variables for thermal diffusion, temperature (800–1025 °C) and holding time (5–60 min), on the growth of chromium carbide interfaces and the resulting thermal conductivity. It is found that the main characteristics of chromium carbide layer is more related to the holding time, that is, prolonged thermal diffusion. The extraction of diamonds in as-sintered composites allows a detailed quantification of coating efficiency and crystallographic-facet-dependence of chromium carbide interfaces during diamond/metal reaction at varying temperature and holding times. It is found that the prolonged thermal diffusion is not as expected to deteriorate the thermal conductivity, and leads to a more densified structure with highest thermal conductivity instead (∼577 W/(m·K)). Furthermore, thermal diffusion of diamond/metal reaction is discussed based on theoretical models. We theoretically demonstrate that long thermal diffusion could enhance the thermal diffusivity for the composites and achieve ∼90.8% of theoretical thermal conductivity predicted by the Maxwell-Eucken model.

Theoretical investigations on exploring Si-based heterostructures with cubic and ground-state perovskites

First principles calculations in the framework of density functional theory (DFT) are performed to exploit replaceable perovskite oxides against the instability of traditional cubic SrTiO3 grown on silicon substrate. In this work, we consider more thermostable CaTiO3 and CaZrO3 with cubic and ground-state phase as the candidates to perform the gate dielectric. After the calibration of total energy and lattice transformation of ground-state perovskites to match with Si substrate, three categories of 2 × 2 heterostructures have been constructed and investigated through the geometrical change, atom displacement around interfacial layer, total energy and electronic structure change, under the variations on perovskite species, the concentration of interfacial layer and the thickness of perovskite film. And the results demonstrate that the category with half a monolayer of Ca/Sr atoms in interfacial layer and two unit-cell perovskite thicknesses show the type-I band alignment through their band alignment. Among this category, the heterostructure with Pnma CaZrO3 shows semiconductivity and excellent electrical property with larger band offset for the candidate of gate dielectric. This work provides a creative perspective to expand the perovskite diversity for the booming growth of integrated circuit technology.

Superabsorbent starch protective layer modulates zinc anode interface for long-life aqueous zinc ion batteries

Aqueous zinc ion batteries (AZIBs) have attracted much attention for their safety, low cost and high theoretical capacity. Nevertheless, Zn dendrites and the adverse reactions such as corrosion, hydrogen evolution and passivation on the anode affect the cycle life and stability of AZIBs. Herein, superabsorbent starch (SS) was employed on Zn foil to form an artificial interface protection layer, which inhibited the formation of dendrites by guiding the uniform deposition of Zn2+. SS with a large amount of oxygen-containing functional group is superabsorbent, which can attract the active water around the hydrated Zn2+, promoting the desolvation process of the hydrated Zn2+ and significantly inhibiting the occurrence of hydrogen evolution reaction. In addition, the inherent pore structure of the SS artificial interfacial layer can induce uniform nucleation of Zn2+ and inhibit the dendrites growth. Moreover, compared to bare Zn//MnO2 cell (44.1 %), the capacity retention of Zn@SS//MnO2 cell remained as high as 87.8 % after 1000 cycles at 1.5 A g−1. The simple method provided a new method for the rapid development of AZIBs.

Interfacial engineering of Pickering emulsions stabilized by pea protein-alginate microgels for encapsulation of hydrophobic bioactives

This study aims to investigate the effects of interfacial layer composition and structure on the formation, physicochemical properties and stability of Pickering emulsions. Interfacial layers were formed using pea protein isolate (PPI), PPI microgel particles (PPIMP), a mixture of PPIMP and sodium alginate (PPIMP-SA), or PPIMP-SA conjugate. The encapsulation and protective effects on different hydrophobic bioactives were then evaluated within these Pickering emulsions. The results demonstrated that the PPIMP-SA conjugate formed thick and robust interfacial layers around the oil droplet surfaces, which increased the resistance of the emulsion to coalescence, creaming, and environmental stresses, including heating, light exposure, and freezing-thawing cycle. Additionally, the emulsion stabilized by the PPIMP-SA conjugate significantly improved the photothermal stability of hydrophobic bioactives, retaining a higher percentage of their original content compared to those in non-encapsulated forms. Overall, the novel protein microgels and the conjugate developed in this study have great potential for improving the physicochemical stability of emulsified foods.

Electrolyte Design for High-Voltage Lithium-Metal Batteries with Synthetic Sulfonamide-Based Solvent and Electrochemically Active Additives.

Considering practical viability, Li-metal battery electrolytes should be formulated by tuning solvent composition similar to electrolyte systems for Li-ion batteries to enable the facile salt-dissociation, ion-conduction, and introduction of sacrificial additives for building stable electrode-electrolyte interfaces. Although 1,2-dimethoxyethane with a high-donor number enables the implementation of ionic compounds as effective interface modifiers, its ubiquitous usage is limited by its low-oxidation durability and high-volatility. Regulation of the solvation structure and construction of well-structured interfacial layers ensure the potential strength of electrolytes in both Li-metal and LiNi0.8Co0.1Mn0.1O2 (NCM811). This study reports the build-up of multilayer solid-electrolyte interphase by utilizing different electron-accepting tendencies of lithium difluoro(bisoxalato) phosphate (LiDFBP), lithium nitrate, and synthetic 1-((trifluoromethyl)sulfonyl)piperidine. Furthermore, a well-structured cathode-electrolyte interface from LiDFBP effectively addresses the issues with NCM811. The developed electrolyte based on a framework of highly- and weakly-solvating solvents with interface modifiers enables the operation of Li|NCM811 cells with a high areal capacity cathode (4.3 mAh cm-2) at 4.4V versus Li/Li+.

Microstructural characterization and corrosion-resistance behavior of friction stir-welded A390/10 wt% SiC composites-AA2024 Al alloy joints

This study examined the effect of traverse speed on the mechanical properties, corrosion-resistance behavior, and microstructure of friction stir-welded A390/10 wt% SiC composites-AA2024 Al alloy joints. The laminar flow of both materials was found to diminish in the stir zone (SZ) when the traverse speed of the tool increased from 40 to 80 mm/min, lowering their mixing rate. Large aspect ratio Si particles are broken by the tool pin-induced applied plastic strain, which turns them into refined equiaxed particles. Their aspect ratio remains unchanged in the SZ, despite their decreasing size. SiC and Si particles progressively come into view when moving from the AA2024 alloy's SZ to the composite workpieces. These changes happen abruptly as traverse speed increases due to the lack of an interfacial layer structure. The advancing side (AS)'s SZ grain size drops from 4.2 ± 0.3 μm to 1.2 ± 0.2 μm as the traverse speed drops from 80 to 40 mm/min. Increased traverse speed from 40 to 80 mm/min will result in a 5.8% decrease in elongation percentage (EP) and 8.4%, 36%, and 10.3% increases in the ultimate tensile strength (UTS), corrosion resistance, and yield strength, respectively.

Effect of interface layer on the enhancement of thermal conductivity of SiC-Water nanofluids: Molecular dynamics simulation

To investigate the impact of interfacial layer effects on the thermal conductivity of nanofluids and the microscopic mechanisms of enhanced thermal conductivity, this study employed non-equilibrium molecular dynamics to compute the thermal conductivity, number density, radial distribution function, and mean square displacement distribution of SiC nanofluids. The impact of nanoparticle volume fraction and particle size parameters on the thermal conductivity of nanofluids and the structure of interfacial adsorption layers was discussed. The simulation calculation results show that the coefficient of thermal conductivity of nanofluid is positively related to the volume fraction of nanoparticles, increasing from 0.6529 W/(m·K) to 0.8159 W/(m·K), and the enhancement of thermal conductivity by the volume fraction can be up to 33.97 %. The thermal conductivity is inversely correlated with the change in particle size, and the maximum improvement in thermal conductivity by particle size can reach up to 12.05 %. The simulated results of the thermal conductivity of nanofluid are almost consistent with the predicted results of the Yu&Choi model, and the error is controlled within 5 %. Simultaneously, the thickness of the interfacial adsorption layer decreases with an increase in particle size. This reduction arises due to larger particles having a smaller specific surface area, resulting in fewer particle surfaces covered by the interface layer. Moreover, the impact of particle size on the arrangement and affinity of molecules within the interface layer contributes to this decrease. Overall, interface layer effects exhibit a dual impact on the thermal conduction of nanofluids. The structured formation and high-density distribution of the adsorption layer contribute to enhanced heat transfer, while thermal resistance between nanoparticle surfaces and the fluid restricts heat transmission.

Two-dimensional water-molecule-cluster layers at nanobubble interfaces

HypothesisBulk nanobubbles (NBs) have high surface charge densities and long lifetimes. Despite several attempts to understand the lifetime of NBs, their interfacial layer structure remains unknown. It is hypothesized that a specific interfacial layer exists with a hydrogen bond network that stabilizes NBs. ExperimentsIn situ infrared reflectance–absorption spectroscopy and density functional theory were used to determine the interfacial layer structure of NBs. Furthermore, nuclear magnetic resonance spectroscopy was used to examine the interfacial layer hardness of bubbles filled with N2, O2, and CO2, which was expected to depend on the encapsulated gas species. FindingsThe interfacial layer was composed of three-, four-, and five-membered ring clusters of water molecules. An interface model was proposed in which a two-dimensional layer of clusters with large electric dipole moments is oriented toward the endohedral gas, and the hydrophobic surface is adjacent to the free water. The interfacial layer hardness was dependent on the interaction with the gas (N2 > O2 > CO2), which supports the proposed interface model. These findings can be generalized to the structure of water at gas–water interfaces.

Effect of carbon/tantalum hybrid film on the properties of carbon fiber and its composites based on magnetron sputtering

To simultaneously improve the strength and toughness of carbon fiber-reinforced polymer composites (CFRPs) using the hybrid effect, a multi-size film with carbon/tantalum (C/Ta) hybrid structure was constructed on the surface of carbon fibers (CFs) by magnetron sputtering using carbon and tantalum as the target materials. Carbon fiber epoxy composites (CFEPs) were prepared by injection molding. The effects of the C/Ta hybrid interface layer on the interfacial bonding and mechanical properties of the CFEPs were analyzed by testing their in-plane shear and bending properties. The results show that the C/Ta hybrid interface layer structure can effectively improve the interfacial bonding and mechanical properties of the CFEP. The in-plane shear and flexural strengths of CFEP modified by double C/Ta magnetron sputtering were 63.53% and 33.15% higher than those of unmodified CFEP, respectively, the in-plane shear modulus increased by 1.53 times, and the bending modulus by 63.26%.

Interfacial polymerization layer with CNT providing fast water channels under electric field for efficient desalination of nanofiltration membranes

In order to solve the contradiction between permeability flux and selectivity in nanofiltration membrane desalination technology, a novel interfacial polymerization layer structure was designed. In this structure, the hydrophilic modified carbon nanotubes (CNT) untangled and protruded the PA layer under the electric field, resulting in the generation of microporous water channels between CNT and polyamide molecules. Thanks to this unique membrane surface structure, the permeability of the nanofiltration membrane was significantly enhanced, reaching 24.4 L·m−2·h−1·bar−1, in which the rejection of MgCl2 and Na2SO4 were also maintained at 96.1 % and 97.3 %, respectively. At the same time, the surface of the nanofiltration membrane remained intact in the chlorine resistance test, and the total fouling rate caused by lysozyme (LYZ) protein solution was only 2.89 %, demonstrating excellent chlorine resistance and pollution resistance. The design of changing surface structure through electric field-assisted nanomaterials provides a new innovative strategy for the development of separation membrane.

Improvement of compressive property and damping capacity of multilayer aluminum matrix foams with 316 L hollow spheres and NiTi alloy sheets

To optimize the mechanical behavior and damping property of aluminum matrix foams (AMFs) with reinforcements of 316 L stainless steel hollow spheres (316 L HSs), multilayer aluminum matrix foams (MAMFs) were fabricated using the pressure casting method by adding NiTi alloy sheets into AMFs. The microstructure of MAMFs, and the influence of NiTi alloy sheets addition on compressive behavior and damping capacity were performed. In MAMFs, the interfacial reaction layers are formed between 316 L HSs and A356 matrix, and between NiTi alloy sheets and A356 matrix. The first maximum compressive strength of MAMFs is around 133 MPa, which increases by ∼35% than that of AMFs. The energy absorption of MAMFs is slightly higher than that of AMFs, while the energy absorption efficiencies of the two materials are similar. The loss factor of MAMFs is 0.032, which increases by 100% compared with that of AMFs (0.016). The experimental results obtained in the current work confirmed that the compressive property and damping capacity of MAMFs are improved significantly compared with that of AMFs. The influence factors that related to reinforcements of NiTi alloy sheets have been discussed, which include material type, interfacial reaction layer structure, microcracks and dislocations.

Surfactant Adsorption Layers: Experiments and Modeling.

During recent years, great progress has been made in understanding the adsorption of surfactants at liquid interfaces. In addition to tensiometry, new efficient methodologies have been developed, in particular interfacial selective optical methods which allow direct access to the adsorbed amounts and interfacial layer compositions. In addition to these new experimental tools, the thermodynamic description by equations of state now allows one to provide a quantitative picture of surfactant interfacial layers. This is most notable for surfactant layers at water/oil interfaces. Additional knowledge about the structure of interfacial layers was gained through different types of molecular modeling. Improved interrelationships between these three aspects are the challenges for current and future work. Particular attention must be paid to dilational interfacial rheology studies, as these mechanical quantities are much more sensitive to small changes in the interfacial composition and structure.

Role of Graphene in Oxidation of Underlying Cu Substrates Elucidated through Angle-Resolved X-ray Photoelectron Spectroscopy: Implications for Corrosion Protection of Graphene/Cu

The role of single-layer graphene in the oxidation process of Cu substrates underlying graphene remains controversial, and the evolution of interfacial oxide layers of graphene/Cu (Gr/Cu) over time has not been reported. Qualitative and quantitative studies of the interfacial oxide layer of Gr/Cu samples upon exposure to ambient conditions for long periods are crucial for revealing the role of graphene in the oxidation process of underlying Cu substrates, so as to further promote the research on corrosion protection of copper surfaces. Angle-resolved X-ray photoelectron spectroscopy (ARXPS) is a practical characterization technology for studying the structure, composition, and thickness of interfacial oxide layers. In this work, we propose an extended model to elucidate the role of graphene in oxidation of underlying Cu substrates through ARXPS study of evolution of interfacial oxide layers. The thickness of an interfacial oxide layer is positively correlated with air exposure time, and it is thinner than that of an oxide layer on a Cu surface; the fractional coverage of the island-like interfacial oxide layer is within the range of 0.4–0.6. For Gr/Cu samples exposed to ambient conditions for less than 6 months, graphene can inhibit the formation of Cu2O, whereas it promotes the formation of CuO in the interfacial oxide layer for long-term oxidized Gr/Cu samples (≥12 months), leading to the embedded structure of the interfacial oxide layer. The results of this study can serve as a guide for the corrosion protection of copper-based devices.

Interfacial behavior of cyclodextrins at the oil-water interface of Pickering emulsion

An oil-in-water (O/W) Pickering emulsion stabilized by cyclodextrins (CDs), including α-, β-, γ-CD, and the hydroxypropyl (HP) derivatives, was prepared by high-speed homogenization. The interfacial behavior of CDs was studied by the contact angle, surface tension, interface tension, and adsorption kinetics. The physicochemical properties of CD Pickering emulsion were characterized by adsorption content, microstructure, rheology, and instability index. The results showed that the contact angles (85.30° and 75.93°), diffusion rates (−0.2481 and −0.1285), and adsorption rates (−0.0045 and −0.0028) of α-CD and β-CD were significantly higher than those of HP-CD derivatives, and emulsions possessed smaller droplet size (both about 7.5 μm) and better stability compared with HP-CDs derivatives. The formation of Pickering emulsion was attributable to the interfacial adsorption layer structure at the oil-water interface formed by the self-assembly of CD. Subsequent studies on the physiochemical properties of emulsion showed that Pickering emulsions stabilized by α-CD and β-CD had better storage modulus, loss modulus, viscosity, storage stability, and centrifugal stability. HP-α-CD, HP-β-CD, and HP-γ-CD stabilized emulsions delaminated and sedimented within a short time. The amorphous HP-α-CD, HP-β-CD, and HP-γ-CD were difficult to form stable interfacial layers and adsorb on the surface of oil droplets due to their high-water solubility and poor crystallinity. • Interfacial behavior of cyclodextrins in the Pickering emulsion was investigated. • α-CD, β-CD, and γ-CD formed rigid interfacial adsorption layer structure, the emulsions exhibited small droplet size and high apparent viscosity. • HP-α-CD, HP-β-CD, and HP-γ-CD were difficult to form stable interfacial layer, the emulsions exhibited low moduli and poor stability.

The inhibition of MnO on Fe2Al5Znx growth and associated three-dimensional nested phase distribution in the galvanized coating of high-Al low-Si dual phase steel

Continuous hot-dip galvanizing is an important process for dual phase (DP) steel and other advanced high-strength steels (AHSSs). During this process, the formation of a Fe-Al inhibition layer and the selective oxidation of alloying elements will change the interfacial layer structure, and affect the galvanized coating structure. So far, the interfacial layer structure and its relationship with galvanized coating in high-Al low-Si DP steel are still unclear. In this paper, the interfacial layer and galvanized coating of hot-dip galvanized high-Al low-Si DP steel were characterized by electron microscopy. The results showed that there exists abundant nano-size MnO phases and Fe2Al5Znx phases inside the interfacial layer, and the galvanized coating consists of Fe3Zn10 nanophases and η-Zn phase. The competitive relationship between those interfacial phases strongly affects the phase distribution inside the galvanized coating adjacent to the interfacial layer. The MnO phases in the interfacial layer hinder the nucleation and growth of Fe2Al5Znx phases. As a result, the inhibition of the Fe-Zn reaction is weakened and the final galvanized coating exhibited a three-dimensional nested distribution of coexistence of Fe3Zn10 nanophases and η-Zn phase.

A one-step surface modification technique improved the nutrient release characteristics of controlled-release fertilizers and reduced the use of coating materials

Controlled-release fertilizers (CRFs) are a valid solution to agriculture's nonpoint source pollution problem. Due to surface structural defects in the fertilizer core, however, a large amount of coating material was wasted. A simple, fertilizer surface modification technique (SMT) that is based on abrasives was created in this study to modify the micro/nanostructure of the core surface, thereby considerably minimizing the amount of coating material and ensuring precise and long-term nutrient release. The effects of the SMT on the surface structure, roughness, and roundness of fertilizer cores were investigated, and a finite, element-based, interface polishing removal kinetic model and a discrete element, simulation-based, two-phase, fluid dynamics model were developed. The effect of core surface structural defects on the coating formation of CRFs and the controlled-release behavior of nutrients was observed at the micro- and nanoscale. The SMT improved the formed weak interfacial layer structure by urea crystals adsorbing water vapor, by reducing surface roughness by 64.43%, by improving overall particle fluidity, by increasing the proportion of urea with high roundness (0.950–0.975) by 8.72%, and by lessening the surface area of a single particle by 2.18%. At high temperatures, the surface was softened and deformed, allowing for the reconstruction of the surface microstructure and for a considerable improvement in interfacial bonding performance. The CRF nutrient release characteristics showed that the SMT enhanced the tightness and consistency of the coating, improved the precision of nutrient release, and reduced the use of coating material by up to 28.6% during the same release period. This novel technology has the potential to significantly optimize the production of CRF by reducing coating materials and residues in soil generated after nutrient release.