Journals
  Publication Years
  Keywords
Search within results Open Search
Please wait a minute...
For Selected: Toggle Thumbnails
Study of Glass Formation Ability and Evolution of Microstructure of Ag-Cu Alloy
Hengbo TAN, Shuangxiang QI, Bei CHEN, Ming GAO, Dadong WEN, Tao LIU, Yonghe DENG
Chinese Journal of Computational Physics    2025, 42 (1): 90-97.   DOI: 10.19596/j.cnki.1001-246x.8779
Abstract33)   HTML2)    PDF (12630KB)(132)      

The rapid solidification process of liquid Ag-Cu alloy at different solute concentrations are simulated by molecular dynamics method. The microstructure evolution characteristic of Ag-Cu alloy is analyzed by two-body distribution function, Honeycutt-Andersen bond type index and extended cluster type index method (CTIM). The results show that the main bond type of Ag-Cu quick setting glass alloy is 1551, and the local quintic symmetry are obvious. The main atomic configuration is icosahedral clusters, in which the regular icosahedral cluster (12 12/1551) is dominant. The highest heritable fraction f of Ag-Cu corresponds to the transition temperature of reduced glass, which proves that Ag60Cu40 has the best amorphous forming ability.

Table and Figures | Reference | Related Articles | Metrics
Structural and Energetic Properties for Point Defects in NpO2 from DFT+U Calculations
Tao LIU, Tao GAO
Chinese Journal of Computational Physics    2025, 42 (1): 84-89.   DOI: 10.19596/j.cnki.1001-246x.8838
Abstract48)   HTML2)    PDF (4647KB)(149)      

The relationship between different magnetic structures and energies of NpO2 with a series of U values (3~7 eV) is first calculated by DFT+U method, and then the influence of different point defects in NpO2 on its architecture and energy properties is studied according to reliable U (4.0 eV). In the calculated results of three different magnetic orders of NpO2, the structural results of 3 k AFM are in good agreement with the experimental values and obtained a lower energy of formation. Compared with the perfect structure of NpO2, the energy of formation of single O vacancy system increase by about 0.06 eV, while the energy of formation of the single Np vacancy system increase by 1.4 eV. In addition, we also study the changes in the volume and energy of the system as O and Np vacancies increase.

Table and Figures | Reference | Related Articles | Metrics
Dynamics and Implementation of Memristive System Exhibiting Extreme Multistability
Ji CHEN, Yi XU, Jinfu LIU, Tao LIU
Chinese Journal of Computational Physics    2024, 41 (4): 523-534.   DOI: 10.19596/j.cnki.1001-246x.8760
Abstract117)   HTML1)    PDF (16860KB)(328)      

Based on a class of parameter-adjustable chaotic systems, an improved four-dimensional memristive chaotic system is established by replacing the gain resistor of the original system circuit with a memristor. Theoretical analysis demonstrates that the new system possesses two line equilibrium points and can generate self-excited attractors. The dynamics of the new system are analyzed through numerical simulation such as bifurcation diagrams, Lyapunov exponents, phase diagrams, etc. With the variation of initial conditions, the memristive system with fixed parameters exhibits not only the extreme multistability phenomenon of coexisting infinitely many attractors but also complex transient behaviors. Finally, to validate the theoretical and numerical simulation results, an equivalent circuit of the memristive chaotic system is designed, and hardware circuit experiments as well as PSIM circuit simulations confirm the correctness of the MATLAB numerical simulations.

Table and Figures | Reference | Related Articles | Metrics