Number Of Atoms Research Articles

Construction and Experimental Validation of Embedded Potential Functions for Ta-Re Alloys

Ta/Re layered composite material is a high-temperature material composed of the refractory metal tantalum (Ta) as the matrix and high-melting-point, high-strength rhenium (Re) as the reinforcement layer. It holds significant potential for application in aerospace engine nozzles. Developing the Ta/Re potential function is crucial for understanding the diffusion behavior at the Ta/Re interface and elucidating the high-temperature strengthening and toughening mechanism of Ta/Re layered composites. In this paper, the embedded atom method (EAM) potential function for tantalum/rhenium binary alloys (Ta-Re alloys) is derived using the force-matching method and validated through first-principles calculations and experimental characterization. The results show that for the lattice constant of a bcc structure containing 54 atoms, surface formation energies per unit area of Ta-Re alloys obtained based on the potential function are 12.196 Å, E100 = 0.16 × 10−2 eV, E110 = 0.10 × 10−2 eV, and E111 = 0.08 × 10−2 eV, with error values of 0.015 Å, 0.04 × 10−2 eV, 0.02 × 10−2 eV, and 0.01 × 10−2 eV, respectively, compared with the calculations from first principles calculations. It is noteworthy that the errors in the average binding energies of Ta-rich (Ta39Re20, where the number of Ta atoms is 39 and Re atoms is 20) and Re-rich (Ta20Re39, where the number of Ta atoms is 20 and Re atoms is 39) cluster atoms, calculated by the potential function and first-principles methods, are only 1.64% to 1.98%. These results demonstrate the accuracy of the constructed EAM potential function. Based on this, three compositions of Ta-Re alloys (Ta48Re6, Ta30Re24, and Ta6Re48; the numerical subscripts represent the number of atoms of each corresponding element) were randomly synthesized, and a comparative analysis of their bulk moduli was conducted. The results revealed that the experimental values of the bulk modulus showed a decreasing and then an increasing tendency with the calculated values, which indicated that the potential function has a very good generalization ability. This study can provide theoretical guidance for the modulation of Ta/Re laminate composite properties.

First-Principles Study on Formation Mechanism of Six-Coordinated Si in Silicophosphate Glass.

Six-coordinated Si ([6]Si) structures are readily formed in silicophosphate glasses with high P2O5 contents. Although experiments and simulations have provided some information on the local configurations around [6]Si, further research on the formation mechanism of [6]Si at the atomic scale is needed. To investigate the formation mechanism of [6]Si, we performed dynamic and static analyses based on first-principles calculations. In first-principles molecular dynamics simulations with models in which all Si atoms are four-coordinated as the initial structure, we observed that the coordination number of Si increased, and the P-Q2 (P-Qn, where n represents the number of bridging oxygen atoms) changed to P-Q3. Atomic energy analysis revealed that the energy decreases with the structural change from P-Q2 to P-Q3 exceeded the energy increase with an increase in the coordination number of Si, stabilizing of the entire system. We conclude that the key factor in the formation of [6]Si is the decrease in energy associated with the change from a nonbridging oxygen in a PO4 tetrahedral structure to bridging oxygen.

Coherent dressing of ground-state spin in a thermal atomic ensemble

Dressed states are eigenstates of the full Hamiltonian which also includes the interaction of the atoms with the driving field. From this point of view, photons of the field interacting with the atom externally induce quantum coherence, and thus modify the inherent properties of atomic system, such as Mollow triplets in the resonance fluorescence spectrum. Because of the rigorous requirement on the ratio of driving strength to the intrinsic linewidth, the associated demonstrations in neutral atoms are restricted to optical dressing in a cavity quantum electrodynamics system and microwave dressing in the Rydberg excitation. Here, we report the realization of coherent dressing of a ground state driven by a radio-frequency magnetic field in an antirelaxation coated warm vapor cell. We reveal the properties of the radio-frequency dressed states, a linear scaling in the resonance splitting, and the improved resonance linewidth. Such a system is robust to the variation of detection frequency and atom number and is able to determine the driving frequency. It thus may emerge as a unique and versatile tool in quantum metrology, for instance, rf atomic magnetometry in a large detection frequency range. Published by the American Physical Society 2024

Heterogeneous Catalysis of Molecular‐Like Au8M(PPh3)8n+ Clusters Cultivated in Mesoporous SBA‐15

AbstractIt is a dream of researchers to be able to tailor the catalytic performances by adjusting heterogeneous catalysts at the atomic level. Atomically precise metal clusters provide us with the possibility to achieve this challenge. Here, we design a push‐and‐pull synthesis strategy coupled with TiOx coating to prepare the heterogeneous catalysts denoted as TiOx/Au8M@SBA via cultivating atomically precise Au8M(PPh3)8n+ (M=Pd, Pt or Au; n=2 for Pd/Pt and 3 for Au) clusters in mesoporous molecular sieve. The catalysts are made up of the three functional units, which include Au8M(PPh3)8n+ clusters that can act as the active sites, the pore environment of the SBA‐15 that can announce a catalysis show for the clusters with precise number of atoms maintained during the chemical reactions, and the TiOx coating that can further inhibit the migration of the clusters under reaction conditions. The selective hydrogenation of acetylene performed in the fixed‐bed reactor taken, for example, we learn how the atom‐by‐atom tailoring of a heterogeneous catalyst can switch on elusive heterogeneous mechanisms with cluster catalysis. This work sheds light on the fundamental insight into catalysis origin of heterogeneous catalysts and achieves a distinguished level of detail for cluster catalysis.

Heterogeneous Catalysis of Molecular-Like Au8M(PPh3)8 n+ Clusters Cultivated in Mesoporous SBA-15.

It is a dream of researchers to be able to tailor the catalytic performances by adjusting heterogeneous catalysts at the atomic level. Atomically precise metal clusters provide us with the possibility to achieve this challenge. Here, we design a push-and-pull synthesis strategy coupled with TiOx coating to prepare the heterogeneous catalysts denoted as TiOx/Au8M@SBA via cultivating atomically precise Au8M(PPh3)8 n+ (M=Pd, Pt or Au; n=2 for Pd/Pt and 3 for Au) clusters in mesoporous molecular sieve. The catalysts are made up of the three functional units, which include Au8M(PPh3)8 n+ clusters that can act as the active sites, the pore environment of the SBA-15 that can announce a catalysis show for the clusters with precise number of atoms maintained during the chemical reactions, and the TiOx coating that can further inhibit the migration of the clusters under reaction conditions. The selective hydrogenation of acetylene performed in the fixed-bed reactor taken, for example, we learn how the atom-by-atom tailoring of a heterogeneous catalyst can switch on elusive heterogeneous mechanisms with cluster catalysis. This work sheds light on the fundamental insight into catalysis origin of heterogeneous catalysts and achieves a distinguished level of detail for cluster catalysis.

MALDI-TOF Mass Spectrometry as the Tool for the Identification of Features of Polymers Obtained by Inverse Vulcanization

The MALDI-TOF mass-spectrometry was employed to analyze the structure of the reaction products of limonene, a natural terpene, and elemental sulfur, with the objective of identifying the occurrence of side processes, such as oxidative dehydrogenation, aromatization, and the Diels–Alder reaction cascade. The MALDI-TOF mass-spectrometry was demonstrated to be effective for the analysis of high-sulfur polymers obtained by the inverse vulcanization reaction, allowing for the unambiguous separation of sulfur-containing and hydrocarbon molecular fragments and the detailed characterization of macromolecular structures. By varying the ratio of sulfur (S8) and limonene in the initial reaction system, we were able to ascertain the limiting amount of sulfur that can be covalently bonded by terpene, as well as determine the average length of polysulfide chains under the assumption of equal reactivity and complete depletion of all double bonds. The side reaction of limonene aromatization, as indicated by the MALDI-TOF spectrum of the product resulting from its interaction with elemental sulfur, was corroborated by 1H and 13C NMR spectroscopy. Consequently, the registration and interpretation of MALDI-TOF spectra of inverse vulcanization products, either independently or in conjunction with the application of 1H and 13C NMR spectroscopy methods, as well as the determination of the limiting number of sulfur atoms that can be bound to one molecule of an unsaturated compound, paves the way for new avenues of investigation into the structure and side reactions involved in the synthesis of high-sulfur polymers.

Reactive Molecular Simulations of Catalytic Methane Decomposition on Ni (1 1 0) Surface

AbstractUsing catalytic methane decomposition techniques to produce H2 could advance renewable energy development. Selecting the proper catalyst for this method is essential for efficient hydrogen production. We used reactive molecular simulations to examine methane's decomposition reaction and the formation of H2 molecules on a Ni (1 1 0) surface. The results show that the dissociation of H atoms on Ni (1 1 0) surfaces produced H2 molecules. The reaction reached saturation because the Ni (1 1 0) surface was covered by methane fragments. These exhibited enhanced adsorption as the H atoms’ dissociation intensified. As the number of hydrogen atoms bonded to methane fragments decreased, the adsorption energy of methane fragments decreased.

Research on the material removal mechanism of vibration-assisted nano-scratch on single-crystal GaN by molecular dynamics.

Single-crystal gallium nitride (GaN) is a semiconductor material known for its hardness and brittleness. This research aims to reveal the differences in the micro-mechanisms of material removal during traditional grinding and ultrasonic vibration-assisted grinding and to provide guidance for the high-efficiency, high-quality planarization processing of single-crystal GaN. To achieve this purpose, molecular dynamics (MD) simulation methods were used to establish a model (30nm × 40nm × 15nm) of single-crystal GaN being scratched by a single abrasive grain with and without ultrasonic vibration assistance. The differences in the surface morphology and subsurface damage formation mechanisms of single-crystal GaN under conditions with and without ultrasonic assistance were compared. The results indicate that, compared to traditional grinding, the periodic ultrasonic vibrations reduce the normal force and result in a more uniform distribution of stress and temperature, thereby mitigating local stress concentration and thermal accumulation effects. Ultrasonic vibration alters the motion of the abrasive grain, expanding the material removal range from 7.384 to 10.315nm, decreasing the number of residual atoms in the machining area, and lowering the chip pileup height at the leading edge of the abrasive grain from 2.063 to 1.528nm. Additionally, the micro-shear deformation induced by ultrasonic vibrations helps to suppress brittle fracturing caused by excessive local stress, thus reducing the thickness of the damaged subsurface. At a scratch depth of 2nm, the total length of dislocation lines in the ultrasonic-assisted scratch is reduced from 185.256 to 33.315 nm compared to traditional scratching. These findings offer new insights into the microscopic mechanisms of material removal in high-efficiency, high-quality grinding processes of single-crystal GaN. This study adopts LAMMPS software for MD simulations to investigate the physical behavior of GaN during the grinding process. The simulation results are then visualized and analyzed using OVITO software to elucidate microstructural changes in the material. During the simulation, the temperature of the Newtonian layer is calculated based on the statistical analysis of atomic velocities under the NVE ensemble. The grinding force applied to the GaN workpiece is determined by differentiating the atomic potential energy. Von Mises stress analysis is adopted to ascertain the stress distribution during the scratching process. Finally, the changes in the crystal structure during scratching are identified and classified using analysis of identified defect structures.

Directional Superradiance in a Driven Ultracold Atomic Gas in Free Space

Ultracold atomic systems are among the most promising platforms that have the potential to shed light on the complex behavior of many-body quantum systems. One prominent example is the case of a dense ensemble illuminated by a strong coherent drive while interacting via dipole-dipole interactions. Despite being subjected to intense investigations, this system retains many open questions. A recent experiment carried out in a pencil-shaped geometry [Ferioli Nat. Phys. 19, 1345 (2023)] has reported measurements that have seemed consistent with the emergence of strong collective effects in the form of a “superradiant” phase transition in free space, when looking at the light-emission properties in the forward direction. Motivated by the experimental observations, we carry out a systematic theoretical analysis of the steady-state properties of the system as a function of the driving strength and atom number N. We observe signatures of collective effects in the weak-driving regime, which disappear with increasing drive strength as the system evolves into a single-particle-like mixed state comprised of randomly aligned dipoles. Although the steady state features some similarities to the reported superradiant-to-normal nonequilibrium transition, also known as cooperative resonance fluorescence, we observe significant qualitative and quantitative differences, including a different scaling of the critical drive parameter (from N to N). We validate the applicability of a mean-field treatment to capture the steady-state dynamics under currently accessible conditions. Furthermore, we develop a simple theoretical model that explains the scaling properties by accounting for interaction-induced inhomogeneous effects and spontaneous emission, which are intrinsic features of interacting disordered arrays in free space. Published by the American Physical Society 2024

Identification of RdRp-NiRAN/JAK1 Dual-Target Drugs for COVID-19 Treatment.

Inhibition of virus replication and inflammatory response is important for the treatment of severe COVID-19 patients. RNA-dependent RNA polymerase (RdRp) is indispensable for SARS-CoV-2 replication, and Janus kinase (JAK) 1 inhibitors exert immunosuppressive effects. RdRp/JAK1 dual-target drugs are expected to ameliorate the severity of the COVID-19 disease. The N-terminal nidovirus RdRp-associated nucleotidyltransferase (NiRAN) domain of RdRp is a pseudokinase, and it has structural similarities with JAK1. Herein, we evaluated the inhibitory effects of triphosphate forms of 31 nucleoside drugs in the DrugBank database on the NiRAN domain and JAK1 through a combination of theoretical and experimental methods. By analyzing the three properties of 31 nucleoside drugs (total hydrophobic surface area, number of hydrophobic atoms, and molecular weight), these drugs met the application rule of our developed molecular docking with conformer-dependent charges (MDCC). Based on the MDCC method combined with molecular dynamics simulations, Azvudine and Citicoline among these 31 drugs showed stronger predicted binding affinities with the NiRAN domain as well as JAK1 compared to the reference drug Remdesivir. Further experimental verification, including a thermal shift assay and homogeneous time-resolved fluorescence assay, demonstrated that Azvudine was an RdRp-NiRAN/JAK1 dual-target drug. This work provided a previously unexplored mechanism of Azvudine for COVID-19 treatment and proposed a design concept for RdRp-NiRAN/JAK1 dual-target nucleoside drugs.

Electric current through atoms arranged in concentric circles induced by applying static magnetic field

Abstract The induction of electric current between atoms arranged in concentric circles by an external magnetic field is studied using a tight-binding model. In particular, the dependence of electric current on the strength of the magnetic field, number of atoms, and temperature is examined. Substantial changes are observed in the electric current distribution when the difference in the transfer integral along the circumference and between circles is increased. Additionally, the difference in the electric current flow compared with that through a graphene ring is analyzed.

Characterization of Nonlinear Spectral Linewidth and Light Shift in Diffuse Laser Cooling Atoms

Abstract We demonstrate an integrating sphere to cool 87Rb atoms and measure the recoil-induced resonance and electromagnetically induced absorption spectrum. We measure the relationship between their linewidth and light shift with the variation of the detuning and power of the cooling laser and study the performance of the diffuse laser cooling mechanism by the absorption linewidth radio △ν E/△ν R and light shift |△R - △E| in the nonlinear spectroscopy. Specifically, when △ν E/△ν R reaches a value of 1.57, the temperature and number of cold atoms achieve the optimal cooling effect. This characterization of absorption linewidth and light shift will provide a method to estimate whether diffused light cooling achieves the best cooling effect, contributing to the future development of isotropic laser cooling for application in quantum sensing.

Synthesis and oil displacement performance evaluation of asymmetric anionic gemini surfactants

In order to further enhance the water flooding performance in low-permeability tight oil reservoirs, a novel gemini surfactant with high interfacial activity, hydrophilic wettability, and good injectivity and mobility control was developed. Using n-alkylamine (C12–C18), 3-chloro-2-hydroxypropylsulfonate sodium, sodium chloroacetate, and succinic anhydride as raw materials, a series of gemini surfactants with asymmetric hydrophilic head groups (GDCS m-4-m; m = 12, 14, 16, 18) were synthesized via substitution and ring-opening reactions. The structures of the synthesized products were characterized by FTIR and 1H NMR, and their surface and interfacial properties as well as their thickening abilities were evaluated. The optimal gemini surfactant was selected for further oil displacement and wettability alteration tests. The results indicate that the synthesized product is consistent with the molecular structure of the target design product. The surface tension and interfacial tension of GDCS m-4-m series surfactant solutions initially decrease and then increase with the increase in the number of carbon atoms in the hydrophobic carbon chain. Its thickening ability increases as the number of carbon atoms in the hydrophobic carbon chain increases. GDCS16-4-16 exhibited the best surface and interfacial activities, with a critical micelle concentration (CMC) of 0.344 mmol/L, surface tension of 24.04 mN/m, and an interfacial tension as low as 2.16 × 10−2 mN/m at 0.5 wt%. The flooding system formulated with GDCS16-4-16 demonstrated excellent mobility control and oil washing capabilities, and could shift the wettability of rock surfaces to highly hydrophilic. In dual-core flooding experiments, with gradient differentials of 3, 5, and 7, the comprehensive oil recovery increased by 12.81 %, 13.88 %, and 11.78 %, respectively, after injecting 0.4 PV of GDCS16-4-16 surfactant solution followed by subsequent water flooding. This indicates a significant potential to enhance recovery in low-permeability tight sandstone reservoirs, presenting promising application prospects in the development of such formations.

Phosphorous Incorporated PtNi Networks with Synergistic Directional Electron Transfer for Efficient and Durable Seawater Hydrogen Production

AbstractThe abundant chloride ions in seawater, which poison and corrode electrode materials, are the main reason for the low performance of Pt‐based catalysts toward hydrogen evolution reaction (HER) in seawater. Coupling Pt with oxophilic transition metals can enhance the activity of Pt‐based electrocatalysts, but their long‐term stability is still unsatisfactory. Herein, a small number of phosphorous atoms (from 1.2 to 5.9 at%) are precisely incorporated into PtNi networks (P‐PtNi networks) via a facile aqueous reduction strategy at room temperature. Experimental measurements and theoretical calculations prove that P incorporation leads to a synergistic directional electron transfer from P and Ni to Pt, resulting in improved water dissociation kinetics, enhanced Cl– resistance and facilitated hydrogen adsorption. Consequently, P‐PtNi networks exhibit outstanding HER activities with a lower overpotential of 37 mV at 10 mA cm−2 and an 8.5‐fold higher mass activity at –0.07 V compared to commercial Pt/C and only slightly lowered potential after 120 h of testing in alkaline simulated seawater. Furthermore, P‐PtNi networks show an ultrahigh solar‐to‐hydrogen efficiency of 15.2% for solar cell‐driven hydrogen production from seawater. This work sheds new lights on the design of high‐performance Pt‐based nanomaterials toward practical applications of seawater hydrogen production.

Effect of grain size and temperature on mechanical properties of nanocrystalline nickel

Molecular dynamics simulations were employed to perform the nanoindentation analysis of nanocrystalline nickel with polycrystalline crystal structure at different grain sizes and temperatures under an indenter of spherical shape. The results indicate that during the nanoindentation process, dislocations are mainly present near grain boundaries. Atomic rearrangements occur around the indentation area, which leads to the formation of an amorphous region along the grain boundaries. The indentation region contains dislocations and amorphous structures. As the grain size decreases, the indentation stress decreases. However, for grain sizes below 13.7nm, a reverse Hall-Petch relationship is observed between grain size and hardness values. The elastic recovery rate in the depth direction increases with increasing grain size, and is greater than that in the width direction, so the influence of the grain size on the elastic recovery rate in the width direction is very small. At higher simulation temperatures, the load-displacement curve during nanoindentation exhibits significant fluctuations. The higher the simulated temperature, the greater the fluctuation of the load-displacement curve. The hardness values reaches the maximum value at 100K, and then decrease with the increase of temperatures. When the indentation depth remains constant, the number of atoms experiencing higher shear strains increases with increasing temperature.

Machine Learning Potential for Serpentines

AbstractSerpentines are layered hydrous magnesium silicates (MgOO) formed through serpentinization, a geochemical process that significantly alters the physical property of the mantle. They are hard to investigate experimentally and computationally due to the complexity of natural serpentine samples and the large number of atoms in the unit cell. We developed a machine learning (ML) potential for serpentine minerals based on density functional theory calculation with the SCAN meta‐GGA functional for molecular dynamics simulation. We illustrate the success of this ML potential model in reproducing the high‐temperature equation of states of several hydrous phases under the Earth's subduction zone conditions, including brucite, lizardite, and antigorite. In addition, we investigate the polysomes of antigorite with periodicity = 13–24, which is believed to be all the naturally existent antigorite species. We found that antigorite with larger than 21 appears more stable than lizardite at low temperatures. This ML potential can be further applied to investigate more complex antigorite superstructures with multiple coexisting periodic waves.

Regulation of the coordination number of Zn single atoms to boost electrochemical sensing of H2O2.

Compared with transition metals with partially occupied 3d orbitals, Zn has a filled 3d10 configuration, which severely restricts electron mobility and hence usually renders Zn2+ intrinsically inactive for electrochemical sensing. Metal single-atom catalysts are a new kind of sensing material. Owing to their unique coordination structure and high atomic utilization rate, metal single-atom catalysts show unique properties, which makes them promising for use in the field of electrochemical sensing. However, whether Zn single atoms are active sites remains to be elucidated. In this study, we prepared nitrogen-doped carbon (NC) materials by pyrolyzing ZIF-8 at high temperatures and reported that when the pyrolysis temperature was 800 °C, many Zn single atoms with Zn-N4 coordination structures remained in the NC material. Even when the pyrolysis temperature is increased to 1000 °C, a small number of Zn single atoms remain, and the coordination structure changes from Zn-N4 to Zn-N3. Furthermore, unexpectedly, both residual Zn single atoms showed electrocatalytic activity for H2O2 reduction. In particular, the electrocatalytic activity was significantly enhanced after the coordination structure was changed from Zn-N4 to Zn-N3. Density functional theory (DFT) calculations indicate that the coordination structure of Zn-N3 optimizes the adsorption and desorption strength of oxygen-containing species in the electrocatalytic reaction process, which lowers the energy barrier of the rate-determining step and increases the detection sensitivity of H2O2 nearly 4.1 times. This study revealed new properties of Zn single atoms for the electrocatalytic reduction of H2O2 and developed a strategy to increase the electrocatalytic activity of metal single-atom catalysts through coordination number regulation, which lays the foundation for the use of Zn single atoms in the field of electrochemical sensing and provides ideas for the design of new highly active sensing materials.

A Theoretical Framework for the Calculation of the Number of Covalent Bonds in Unsaturated Organic Compounds

Theoretical frameworks are important structures that provide novel ways of understanding unique and complex ideas related to many fields of science. Therefore, in this manuscript we try to present a theoretical framework with new general equations that share a similar structure with the index of hydrogen deficiency and can be used to calculate the number of covalent bonds for numerous unsaturated organic molecules. Our mathematical model is based on graph theory combined with classical organic chemistry concepts, and the variables that made up all the general equations are represented by the number of atoms and the valence of those atoms that correspond to unsaturated organic compounds which contain only simple covalent bonds. The main scope of this model is to be used manually by scientists that are interested in performing an easy and fast calculation of bonds and rings for various classes of molecules in order to deduce more information about their possible chemical structures. Other objectives include the possibility for future implementation of computer programs based on IHD like equations similar with the ones that will be presented in this manuscript to help researchers speed up the process of identification and calculation of multiple chemical variables. In essence, our study represents a novel comprehensive methodology for finding the number of covalent bonds and rings in specific chemical compounds.

Atom cavity encoding for NP-complete problems

We consider an atom-cavity system having long-range atomic interactions mediated by cavity modes. It has been shown that quantum simulations of spin models with this system can naturally be used to solve number partition problems. Here, we present encoding schemes for numerous nondeterministic polynomial-time complete (NP-complete) problems, encompassing the majority of Karp’s 21 NP-complete problems. We find a number of such computation problems can be encoded by the atom-cavity system at a linear cost of atom number. There are still certain problems that cannot be encoded by the atom-cavity as efficiently, such as quadratic unconstrained binary optimization (QUBO), and the Hamiltonian cycle. For these problems, we provide encoding schemes with a quadratic or quartic cost in the atom number. We expect this work to provide important guidance to search for the practical quantum advantage of the atom-cavity system in solving NP-complete problems. Moreover, the encoding schemes we develop here may also be adopted in other optical systems for solving NP-complete problems, where a similar form of Mattis-type spin glass Hamiltonian as in the atom-cavity system can be implemented.

Nonlocality and strength of interatomic interactions inducing the topological phonon phase transition

Understanding phonon behavior in semiconductors from a topological physics perspective offers opportunities to uncover extraordinary phenomena related to phonon transport and electron–phonon interactions. While various types of topological phonons have been reported in different crystalline solids, their microscopic origins remain quantitatively unexplored. In this study, analytical interatomic force constant (IFC) models are employed for wurtzite GaN and AlN to establish relationships between phonon topology and real-space IFCs. The results demonstrate that variations in the strength and nonlocality of IFCs can induce phonon phase transitions in GaN and AlN through band reversal, leading to the emergence of new Weyl phonons at the boundaries and within the Brillouin zones. Among the observed Weyl points, some remain identical in both materials under simple IFC modeling, while others exhibit variability depending on the specific case. Compared to the strength of the IFCs, nonlocal interactions have a significantly larger impact on inducing topological phonon phase transitions, particularly in scenarios modeled by the IFC model and the SW potential. The greater number of the third nearest neighbor atoms in wurtzite AlN provides more room for variations in the topological phonon phase than in GaN, resulting in more substantial changes in AlN.