Initial Structure Research Articles

Spatial evolution characteristics of asphalt surface structure and its influence on surface interaction properties

Air-asphalt surface structure (asphalt surface structure) is widely found in asphalt mixture and is the main structure that directly interacts with air, precipitation and sunlight. To explore the physicochemical properties of asphalt surface structure, the spatial evolution characteristics and interaction properties were studied by combining theory, test and simulation. Firstly, the gestation, generation and development of asphalt surface structure were explained theoretically, and the categories of asphalt surface structure were proposed. Secondly, the spatial evolution characteristics of asphalt surface structure were analyzed by the combination of macro and micro tests. Finally, the relationship between asphalt surface structure and air (N2, O2) and precipitation (H2O) was discussed by using molecular dynamics. It was found that, theoretically, asphalt surface structure can be divided into "initial surface structure", "stable surface structure" and "aged surface structure", and the "stable surface structure" is the ideal surface state. The low temperature environment is conducive to the adsorption of air (N2, O2) by the asphalt surface structure, the "initial surface structure" has a relatively high adsorption interaction capacity. Additionally, the interaction between precipitation and asphalt surface structure is gradually enhanced with the increase of temperature, and the interaction between "aged surface structure" and precipitation is relatively stronger. The study further expands the exploration of asphalt surface structure and provides a theoretical explanation for asphalt aging behavior.

Phbuilder: A Tool for Efficiently Setting up Constant pH Molecular Dynamics Simulations in GROMACS.

Constant pH molecular dynamics (MD) is a powerful technique that allows the protonation state of residues to change dynamically, thereby enabling the study of pH dependence in a manner that has not been possible before. Recently, a constant pH implementation was incorporated into the GROMACS MD package. Although this implementation provides good accuracy and performance, manual modification and the preparation of simulation input files are required, which can be complicated, tedious, and prone to errors. To simplify and automate the setup process, we present phbuilder, a tool that automatically prepares constant pH MD simulations for GROMACS by modifying the input structure and topology as well as generating the necessary parameter files. phbuilder can prepare constant pH simulations from both initial structures and existing simulation systems, and it also provides functionality for performing titrations and single-site parametrizations of new titratable group types. The tool is freely available at www.gitlab.com/gromacs-constantph. We anticipate that phbuilder will make constant pH simulations easier to set up, thereby making them more accessible to the GROMACS user community.

Decomposition behaviors of CO2 hydrate sandwiched in double-symmetrical flat system:A molecular dynamics simulation study

Sequestration of carbon dioxide (CO2) in the form of hydrate is considered to be an effective way to achieve carbon emission reduction. The replacement method of nature gas hydrates with CO2 has been proved to be a very promising technique as well. A precise acknowledge of the decomposition characteristics of CO2 hydrate in porous media, which will help further implement these applications. In this work, molecular dynamics simulation method is employed to investigate the whole decomposition process of CO2 hydrate sandwiched in the double-symmetrical flat that is the approximate imitation system of hydrate located in veined distribution or throat space of porous media. The results indicate that the decomposition of the hydrate phase follows a somewhat relaxed shrinking-core mechanism from outer to inner, with this deviation being reflected in the differential collapse rates of the symmetrical sections of the hydrate layer. The difference of the collapse rate of hydrate layers is not only reflected in the distance from the interface, but also closely related to the surrounding crystal state. During the first 200 ps, the average diffusion coefficient of CO2 molecules is 0.659 × 10−9 m/s which is 0.53 times than that of the pure hydrate system with 1.241 × 10−9 m/s. Both stages of initial cage structure breakdown and CO2 nanobubbles formation evolution are clearly observed, and the phenomenon of molecular diffusion gradient is also appeared in last stage. Additionally, with the four spacing of 29.08 Å, 41.08 Å, 53.08 Å and 101.08 Å, an interesting decomposition mechanism was found, that is, the destabilization of hydrates occurred preferentially at the geometric center not just the interface of hydrate-media in the symmetric narrow confined space. The relevant result is very helpful to further understand the stable geological storage mechanism of CO2 gas in the form of hydrate in sediments.

In Search of Risk Factors: The Origin and Early Stages of Cardiovascular Epidemiology.

Based mainly on their personal experience, the authors try to describe the origin of cardiovascular disease (CVD) epidemiology and the problems and difficulties practitioners attempted to tackle and solve during the first few decades of this discipline, which started around the middle of the last century. Beyond identifying the characteristics of those who became CVD epidemiologists, a description is given of the initial structures of the involved studies, participation rates, risk factors measurements and standardization, clinical measurements and diagnostic criteria, mortality data collection and coding, data loading and analysis, plus a number of problems still unsolved at the beginning of the 2000s. Despite many obstacles, and the initial hostility of the medical-scientific establishment, CVD epidemiology represented a revolution in researching in the bio-medical field. In the end, it also affected clinical research introducing the use of the quantitative approach bound to mathematical-statistical procedures. After decades of hard work and the development of a number of innovative tools, CVD epidemiology received its deserved recognition, eventually being accepted as a reputable and independent scientific discipline. Yet, in several countries, especially those from Southern Europe, an academic recognition of CVD epidemiology is still lacking.

A Complete Unveiling of the Mechanism and Chirality in Photoisomerization of Arylazopyrazole 3pzH: Combined Electronic Structure Calculations and AIMS Dynamic Simulations.

The arylazopyrazole 3pzH as a novel photoswitch exhibits quantitative switching and high thermal stability. In this work, combined electronic structure calculations and ab initio multiple spawning (AIMS) dynamic simulations were performed to systemically investigate the cis ↔ trans photoisomerization mechanism and the chiral preference after photoexcitation of 3pzH to the first excited singlet state (S1). Unlike most of the azoheteroarene photoswitches reported previously, many twisted and T-shaped cis isomers were found to be stable for 3pzH in the S0 state, owing to the moderate interaction between the hydrogen atom and π electrons of the aromatic ring. Two twisted cis isomers with different chirality ((M)-Z1 and (P)-Z1), the most stable T-shaped cis isomer ((T)-Z2), and the most stable planar trans isomer (E2) were selected as the initial structures to carry out the AIMS nonadiabatic dynamic simulations. Following excitation to the S1 state, all of the cis isomers decayed to conical intersection (CI) regions via the same bicycle pedal mechanism, while the evolution of the trans isomers to their CI regions was achieved via rotation around the N═N bond. More importantly, chiral preferences were found for the twisted cis isomers in the S1 state through the AIMS dynamic simulations due to the steric effect and static electronic repulsion. Notably, chirality was also observed in S1 isomerization starting from the planar E2 isomer because of the dynamic effect. After the nonadiabatic transition to the S0 state, the bicycle pedal mechanism was found to play a crucial role in cis ↔ trans photoisomerization. The simulated photoisomerization productivities were generally consistent with past experimental observations. Our calculations not only uncover the underlying reason for the excellent photoswitching properties of 3pzH but also enrich the knowledge of photoisomerization for azoheteroarene photoswitches, which will surely benefit their rational design.

Timely Constructed and Enhanced Lining for Managing Extensive Deformations of Tunnel in Coal Stratum: A Case Study

Background The Sanlian Tunnel case study exemplifies that even after implementing the initial support within the coal stratum, the surrounding rocks exhibited ongoing deformation devoid of stabilization indications. Addressing this issue calls for innovative control technologies that mitigate extensive deformations and redefine safe and sustainable coal stratum tunnel construction. Methods The field experiment was adopted to select the appropriate technical measures to control extensive deformations. Three experiment schemes were developed and applied to the construction. Scheme One was the enhanced initial support structure, and Scheme Two was the combined use of enhanced initial support structure, lengthened sidewall anchor rods and added steel pipe piles. Scheme Three was the “timely constructed and enhanced lining structure” proposed on the basis of Scheme Two, and the secondary lining was applied if the horizontal displacement exceeded 450mm. Then, field observations of displacements and stresses were implemented to evaluate the effectiveness of different experimental schemes in controlling extensive deformations. Results Scheme One and Two cannot control extensive deformations effectively, as the displacement of the initial support continued to increase with no sign of stabilization. Regarding Scheme Three, structural deformation progressively attained a state of stability around 80 days subsequent to the secondary lining construction. Additionally, the stress within the support structure remains stable below the permissible threshold, affirming the secure condition. Conclusion Emanating from the field monitoring results, it is evident that the suggested “timely constructed and enhanced lining structure” scheme control technology holds substantial promise for practical implementation in engineering scenarios.

Mechanical characteristics and stability analysis of an innovative type of steel–concrete composite support in shallow-buried excavation tunnels

Under the influence of the principle of New Austrain Tunnelling Method (NATM), the initial support structure of shallow-buried tunnels in urban soft rock mainly adopts the forms of section steel arches or lattice girder arches combined with bolt-mesh-shotcrete. In order to solve the problems of tunnel deformation and collapse caused by untimely support or insufficient support strength during the construction process, the concept of “timely and high-strength support” was put forward, the high-strength steel pipe grid (HSPG) arch was innovatively designed, and the steel pipe grid bolt-shotcrete (SPGB) structure was established. Next, the flexural bearing performance and failure modes of the joint component and jointless component of the HSPG arch were analyzed, and the design scheme was also optimized by finite element simulation. Then, the full-scale model test of steel pipe grid concrete component (SPGC) under the pure bending load was conducted to explore the coupling bearing effect in a laboratory. In addition, relying on the underground excavation tunnel project of urban subway, the characteristic curves and stability coefficient of surrounding rock and SPGB structure were given by using the principle of convergence-confinement method. Theoretical calculations and on-sit measurements showed that SPGB structure had good adaptability in weak surrounding rock tunnel. In general, the research results were of great significance for clarifying the bearing mechanism and applicable conditions of SPGB structure, and also provided a reference for its further application in the tunnel and underground engineering.

Molecular Dynamics Simulations on Spike Protein Mutants Binding with Human β Defensin Type 2.

Human β defensin type 2 (hBD-2), a cationic cysteine-rich peptide secreted from the human innate immune system, can bind Spike-RBD at the same site as receptor ACE2, thus blocking viral entry into ACE2-expressing cells. In order to find out the impact of CoV-2 mutations on hBD-2's antiviral activity, it is important to investigate the binding and interaction of hBD-2 with RBD mutants. All-atom molecular dynamics simulations were conducted on typical RBD mutants, including N501Y, E484K, P479S, T478I, S477N, N439K, K417N, and N501Y-E484K-K417N, binding with hBD-2. Starting from the stable binding structure of hBD-2 and wt-RBD and ClusPro and HADDOCK docking-predicted initial structures, the RBD variants bound with hBD-2 simulations were set up, and NAMD simulations were conducted. Based on the structure and dynamics analysis, it was found that most RBD variants can still form a similar number of hydrogen bonds with hBD-2, in addition to having a similar-sized buried surface area (BSA) and a similar binding interface to the RBD wildtype. However, the RBD triple mutant formed a less stable binding structure with hBD-2 than other variants. Additionally, the free energy perturbation (FEP) method was applied to calculate the contribution of key mutant residues to the binding and the free energy change caused by the mutations. The result shows that N439K, K417N, and the trimutation increase the binding free energy of RBD with hBD-2; thus, RBD should bind less stably with hBD-2. E484K decreases the binding free energy, thus it should bind more stably with hBD-2, while N501Y, S477N, T478I, and P479S almost do not change the binding free energy with hBD-2. The MM-GBSA method predicted the binding interaction energy which shows that the trimutant should be able to escape the binding with hBD-2 but N501Y should not. The result can provide insight into understanding the functional mechanism of hBD-2 combating SARS-CoV-2 mutants.

Polishing-induced material attrition in surface-texturing AlN using a nanoscale polishing tool: An atomic-scale understanding

This study examines the alterations in the material properties and the effectiveness of the nano-polishing process applied to the surface of AlN substrate material through molecular dynamics simulations. Various controlled parameters at the outset of the polishing process, including polishing depth, polishing speed, and surface texture, exert both positive and negative influences on substrate characteristics, such as polishing force, friction coefficient, atomic phase transformation, subsurface damage layer (SDL), von Mises stress, temperature, dislocation characteristics, surface topography, atom removal, and root-mean-square (RMS). The results depicted that great polishing depth and slow polishing velocity have adverse effects on the internal structure of the material, leading to the creation of a substantial SDL and a dense network of dislocation formation. Conversely, increased material polishing velocity results in elevated von Mises stress and high generated temperatures. When combined with the initial surface structure conditions of the material, this mitigates detrimental effects on the internal structural characteristics while facilitating the phase transformation process and enhancing atom removal efficiency. The calculated RMS results of the substrate demonstrate that adjustments in polishing speed yield a higher improvement in surface roughness compared to alterations in polishing depth and surface texture. Therefore, a comprehensive understanding of the impact of initial conditions in the polishing process, as well as the atomic-level surface structure of the substrate, aids in selecting the most appropriate polishing conditions to produce the highest-quality products.

Improved Reproducibility of Deflection Control Process for Cantilever‐Type MEMS Tactile Sensors

This paper describes an improved process for controlling the initial deflection structure of cantilever‐type MEMS tactile sensors. By using residual stress, deposition sequence, and metal layer patterns, the initial deflection of the cantilever was successfully aligned to the same initial deflection with micron accuracy and 97% yield in a simpler and easier process than previous processes. This enables a reduction in the number of processes and flexible control of deflection, which is expected to improve yield and shorten fabrication time. © 2024 Institute of Electrical Engineer of Japan and Wiley Periodicals LLC.

Low thermal SRR metamaterial design with multi-layered structured for terahertz frequency applications

The goal of this study is to examine the effects of split-ring resonators (SRR) with compact square shapes at terahertz frequencies. Therefore, a unique and miniaturised SRR metamaterial was constructed in this work. Every simulation was performed by using the Computer Simulation Technology software to explore the radar cross-section (RCS), reflection and transmission coefficients. Furthermore, MATLAB software was adopted to calculate the characteristics of an effective medium for the recommended SRR metamaterial. The initial metamaterial structure consists of a single layer that exhibits lower peak points with unsatisfactory magnitude values. Therefore, by adopting the trial and error technique, a few parametric studies were conducted to select the optimised metamaterial. For instance, various square-shaped design analyses, investigation of different substrate materials with a dielectric constant between 3.5 and 11.9, multi-layer structures, and larger-scale analyses were explored in this work. According to the observation, the quintuple layer SRR design was adopted since it possesses multiple resonances with reasonable magnitude values at 2.58, 3.78, 7.54, 7.77, 8.21, 8.5, and 8.88 THz. Moreover, the proposed quintuple-layer metamaterial helps to reduce the RCS values from −128.5 to −90.93 dBm2 at 2.58 THz when adopting an array cell structure. Moreover, this work also examines and analyses the thermal distribution of the proposed quintuple-layer metamaterial at all resonance frequencies. The observation revealed only small temperature distribution discrepancies occurred on the design structure compared to all peak points. In a nutshell, the proposed quintuple-layer SRR metamaterial achieved the purpose of this research and is practically applicable for the terahertz frequency.

MSWIFA and cement cooperate in the disposal of soft soil - experimental study on silty sand and silty clay.

Municipal solid waste incineration fly ash (MSWIFA) can be reused as a positive additive to strengthen soft soil. In this study, MSWIFA was initially used as a supplementary solidification material in combination with ordinary Portland cement to prepare fly ash cement-stabilized soil (FACS) with silty sand and silty clay, respectively. The ratio of MWSIFA to total mass was 5%, 10%, and 15%, and the cement content was set as 10% and 15%. The mechanical properties of FACS were evaluated by unconfined compressive strength test. The heavy metal-leaching test was conducted to estimate the environmental risk of FACS. The scanning electron microscope was used to test the micro-structure of FACS. The X-ray diffraction was performed to analyze material composition of FACS. The result indicates that the collaborative solidification of soft soil with MSWIFA and cement is feasible. Regarding the silty clay, the FA had positive effects on the silty clay in the service age (between 50 and 100% with 15% MSWIFA), as the MSWIFA reformulated the initial silty clay structure, resulting in interconnection and pore fill between particles. It can be founded that C-S-H and ettringite are the main products of MSWIFA and cement hydration, which are formed by the hydration of C3S and C2S. Regarding the silty sand, the MSWIFA decreased the peak strength (between 35 and 48% with 15% MSWIFA) but increased the ductility of the stabilized cement. Under the same mix proportions, the leaching toxicities of Zn and Pb in FACS of silty clay were obviously lower than were those of silty sand. Generally, the leaching concentrations of tested metals under all the mix proportions were well below the limit value set by GB 18598-2019 for hazardous waste landfill. Thus, the reuse of MSWIFA in cement-stabilized soil would be one of the effective methods in soft soil treatment and solid waste reduction.

对学龄期儿童发起指令的多种语言结构的相关研究

对学龄期儿童发起指令的多种语言结构的相关研究

DC reactive sputtering of ZnON thin films: band gap engineering and associated evolution of microstructures

Zinc oxynitride (ZnON) has recently emerged as a highly promising band gap-tunable semiconductor material for optoelectronic applications. In this study, a novel DC reactive sputtering protocol was developed to fabricate ZnON films with varying elemental concentrations, by precisely controlling the working pressure. The working pressure was varied from 0.004 mbar to 0.026 mbar.For working pressure greater than 1.6 × 10−3mbar, the mean free path of ions decrease, the sputtering rate decreases and the concentration of nitrogen in the films decreases. The band gap of the film obtained from UV Vis Spectroscopy initially decreases and reaches a minimum of 1.6 eV at a flow rate of 20 sccm of nitrogen, after which it drastically increases. The correlation between the micro structure and band gap was investigated. The initial alloy structure of the film was found to exist when the band gap was between 1.66 eV and 2.15 eV, beyond which, a distorted wurtzite structure began to emerge. At a band gap of 2.7 eV, the spectrum peaks indicated the coexistence of both alloy and wurtzite structures. With an increasing band gap, the wurtzite structure became dominant, completely replacing the alloy structure at 3.25 eV. This study revealed the existence of intermediate structures formed during the tuning of the band gap, which can have important implications for future research aimed at developing heterostructures and 2D superlattices for photonics applications.

Inductance Analysis of Transverse Flux Linear Synchronous Motor for Maglev Trains Considering Three-Dimensional Operating Conditions

Despite the availability of powerful finite element method (FEM) tools, an accurate and fast analysis method is needed in the early design stage to find an initial motor design structure with the expected performance. When it is applied to maglev trains, inductance of the transverse flux linear synchronous motor (TFLSM) is affected by the cogging structure, the change of air gap length and the variation of lateral offset. Therefore, the analytical method of inductance in the TFLSM is different compared to that in the conventional rotating field winding motors. The three-dimensional (3-D) analysis models for obtaining inductance parameters are comprehensively introduced in this paper. The results of the inductance analytical calculation are verified and evaluated in light of the FEM simulation results and the prototype measurements.

Reaction-induced morphological transitions in a blend of diblock copolymers and reactive monomers: dissipative particle dynamics simulation.

The dissipative particle dynamics (DPD) method is applied to the morphological transitions of microphase-separated domains in a mixture of symmetric AB-diblock copolymers and reactive C-monomers, where polymerization and cross-linking reactions take place among C-monomers. The initial structure for the DPD simulation is an equilibrated cylindrical domain structure prepared by the density-biased Monte Carlo method with density profiles obtained from the self-consistent field theory. By introducing a cross-linking reaction among reactive C-monomers, we confirmed that the DPD simulation reproduces the morphological transitions observed in experiments, where the domain morphology changes due to segregation between A-blocks of diblock copolymers and cross-linking networks of C-monomers. When the cross-linking reaction of C-monomers is sufficiently fast compared to the deformation of the domains, the initial cylindrical domains are preserved, while the distance between the domains increases. On the other hand, when the formation of the cross-linking network is slow, the domains can deform and reconnect with each other in the developing cross-linking network. In this case, we observe morphological transitions from the initial domain morphology with a large-curvature interface to another domain morphology with a smaller-curvature interface, such as the transition from the cylindrical phase to the lamellar phase. We calculated the spatial correlations in the microphase-separated domains and found that such correlations are affected by the speed of the formation of the cross-linking network depending on whether the bridging between microphase-separated domains occurs in a nucleation and growth process or in a spinodal decomposition process.

Miniaturized circularly polarized metasurface antenna based on characteristic mode analysis

AbstractA miniaturized circularly polarized (CP) metasurface (MTS) antenna is investigated based on characteristic mode theory (CMT). The 4 × 4 square patch structure was used as the initial structure for characteristic mode analysis (CMA) and improvement using CMT to guide the evolution of antenna structures. The square ring is bent and the capacitive strips are introduced to obtain the final miniaturized MTS. Comparing the proposed MTS with traditional MTS, the proposed antenna size is significantly reduced. To give the proposed antenna a CP, a feeding structure with a 90° phase difference is designed to excite a pair of orthogonal target patterns. The final antenna structure has a reduced overall size and has circular polarization characteristics. For verification, the proposed CP MTS antenna is fabricated and measured. The measured results show an impedance bandwidth of 2.9–3.65 GHz and 3 dB axial ratio bandwidth of 3.1–3.57 GHz, and a stable gain in the operating frequency band.

Fabrication of long-term stable electrochromic device based on high-quality PEDOT film

As one of representative conducting polymers (CPs), poly(3,4-ethylenedioxythiophene) (PEDOT) possesses fascinating electrochromic properties and commercial applications, but it suffers from the poor cycling stability in the charge-discharge process. In this work, we adopted a dual-approach mode to prepare high-quality PEDOT film in boron trifluoride etherate (BFEE) system via reducing the initial oxidation potential (Eonset) of 3,4-ethylenedioxythiophene (EDOT) monomers to increasing the conjugation degree of PEDOT films and no requiring the addition of other supporting electrolytes to protect the initial structure of PEDOT films. The Eonset of EDOT monomers in BFEE system was only 0.5 V, which was much smaller than other systems reported (1.00–1.26 V). The obtained PEDOT film with porous structure showed remarkable stability with an electrochemical activity retention rate of 91.5% after 190,000 cycles, and that of its electrochromic device (ECD) was 94.23% after 41,000 s. During the redox process, ECD had three color transformations (brown red, cyan, and blue) and the oxidation time and the reduction time were 0.4 s and 1.2 s, respectively. The calculated CE value reached 120 cm2 C−1. All these results suggest that the dual-approach mode can significantly enhance the quality of PEDOT film and thus enhance its cycling stability. In addition to that, the dual-approach mode can provide an effective strategy for the design of highly stable CPs for fabricating long-term stable ECD.

Mineralogical control on the dissolution induced microscopic pore alternations of high-rank coal during CO2 sequestration

The microstructure of deep coal seam plays a crucial role in determining the CO2 geological sequestrations. To investigate the effects of pore and mineral distribution on the changes and mechanisms of coal microstructure under supercritical CO2 (SC–CO2) interactions, we employed low-temperature N2 (LTN2) adsorption, low-temperature CO2 (LTCO2) adsorption, and X-ray diffraction (XRD) techniques to explore the development of microstructures and mineral compositions of coal samples with distinct pore distribution characteristics under SC-CO2 exposure. The results revealed that mineral dissolution under SC-CO2 saturation led to an increase in both specific surface area (SSA) and pore volume (PV) of mesopores, with SSA increasing by 13.6%–332.31% and PV increasing by 4.59%–148.61%. Subsequently, SC-CO2 exposure induced the formation of numerous new pores with diameters smaller than 3 nm within the coal matrix, particularly an abundance of new ultra-micropores (r > 0.5 nm) and large micropores (r > 0.85 nm). This significantly altered the irregularity of pore structure and adsorption capacity, thereby playing a crucial role in CO2 storage. Micropores exhibited much larger SSA and PV than mesopores, underscoring their significant contribution to CO2 geological sequestration. The spatial mineral distribution in coal influences the alteration characteristics of pores, which explains the different microscopic pore structures formed after SC-CO2 exposure. The impact of spatial mineral distribution on SC-CO2-induced pore alteration is analysed, emphasising the intrinsic heterogeneity of minerals within coal as the fundamental factor behind the diversity observed in pore development during CO2 sequestration. Finally, we found that the changes in micropores and mesopores under SC-CO2 exposure are closely related to the initial structure of microscopic pores. The development of micropores under SC-CO2 exposure is associated with the average pore size and fractal dimension of micropores, with the increment in mesopore irregularity increasing with the increase in micropore volume fractal dimension. By studying the influence of mineral and pore distribution on the evolution of coal microstructures, this study provides new insights into pore development under SC-CO2 geological sequestration, which can be valuable for predicting reservoir development in CO2-ECBM.

Enhanced Coarse-Grained Molecular Dynamics Simulation with a Smoothed Hybrid Potential Using a Neural Network Model.

In all-atom (AA) molecular dynamics (MD) simulations, the rugged energy profile of the force field makes it challenging to reproduce spontaneous structural changes in biomolecules within a reasonable calculation time. Existing coarse-grained (CG) models, in which the energy profile is set to a global minimum around the initial structure, are unsuitable to explore the structural dynamics between metastable states far away from the initial structure without any bias. In this study, we developed a new hybrid potential composed of an artificial intelligence (AI) potential and minimal CG potential related to the statistical bond length and excluded volume interactions to accelerate the transition dynamics while maintaining the protein character. The AI potential is trained by energy matching using a diverse structural ensemble sampled via multicanonical (Mc) MD simulation and the corresponding AA force field energy, profile of which is smoothed by energy minimization. By applying the new methodology to chignolin and TrpCage, we showed that the AI potential can predict the AA energy with significantly high accuracy, as indicated by a correlation coefficient (R-value) between the true and predicted energies exceeding 0.89. In addition, we successfully demonstrated that CGMD simulation based on the smoothed hybrid potential can significantly enhance the transition dynamics between various metastable states while preserving protein properties compared to those obtained with conventional CGMD and AAMD.