We employ the Green–Kubo(G-K)and Einstein relations to estimate the self-diffusion coefficients(denoted as D_(G)and D_(E),respectively)in two-dimensional(2D)strongly coupled dusty plasmas(SC-DPs)via equilibrium molec...We employ the Green–Kubo(G-K)and Einstein relations to estimate the self-diffusion coefficients(denoted as D_(G)and D_(E),respectively)in two-dimensional(2D)strongly coupled dusty plasmas(SC-DPs)via equilibrium molecular dynamics(EMD)simulations.D_(G)and D_(E)are computed for a broad domain of screening length(κ)and coupling parameters(Γ)along with different system sizes.It is observed that both D_(G)and D_(E)decrease linearly with increasing Г in warm liquid states and increase with increasingκ.In cold liquid states,the Einstein relation accurately predicts D_(E)in 2D SC-DPs because diffusion motion is close to normal diffusion,but the G-K relation provides overestimations of D_(G),because VACF indicates anomalous diffusion;thus,D_(G)is not accurate.Our new simulation outcomes reveal that D_(G)and D_(E)remain independent of system sizes.Furthermore,our investigations demonstrate that at higher temperatures,D_(G)and D_(E)converge,suggesting diffusion motion close to normal diffusion,while at lower temperatures,these two values diverge.We find reasonable agreement by comparing current and existing numerical,theoretical and experimental data.Moreover,when normalizing diffusion coefficients by the Einstein frequency and testing against the universal temperature scaling law,D_(G)deviates from theoretical curves at low temperatures and κ,whereas D_(E)only disagrees with theory at very smallκ(■0.10).These findings provide valuable insight into diagnosing dust component parameters within 2D DP systems and contribute to the broader understanding of diffusion processes in DP environments.展开更多
Thermodynamic properties of a Debye-Yukawa system of particles are explored by using molecular dynamics simulation in the canonical ensemble. The excess free energy f of the Debye-Yukawa system is calculated by using ...Thermodynamic properties of a Debye-Yukawa system of particles are explored by using molecular dynamics simulation in the canonical ensemble. The excess free energy f of the Debye-Yukawa system is calculated by using two different approaches for the liquid phase, and the energy is obtained in a coupling parameter range of 0 ≤ F ≤100 and a wide range of the screening parameter κ. Simulation measurements for excess internal energy and pressure of the system over dimensionless parameters （κ, F） are also presented and compared with previous theoretical and simulated results. A F-expansion-fitting approach for the liquid phase is introduced with the expansion coefficients, which are functions of the screening parameter κ. The fitting coefficients are obtained by directly comparing them with the simulation measurements with a relative deviation of 1% or less. It is shown that the computational results provide a relatively simple method to calculate the excess internal energy and free energy in certain cases, which depend strongly on Г.展开更多
The particle structure of a complex system has been explored through a unique Evans' s homogenous nonequilibrium molecular dynamics(HNEMD) simulation technique. The crystalline order–disorder structures(OD-struct...The particle structure of a complex system has been explored through a unique Evans' s homogenous nonequilibrium molecular dynamics(HNEMD) simulation technique. The crystalline order–disorder structures(OD-structures) and the corresponding energies of three-dimensional(3 D) nonideal complex systems(NICSs) have been measured over a wide range of plasma states(■, κ) for a body-centered cubic(BCC) structure. The projected technique provides accurate ODstructures with fast convergence and applicable to very small size effect for different temperatures(≡ 1/■) and constant force field(F~*) values. The OD-structure obtained through HNEMD approach is found to be reasonable agreement and more reliable than those earlier identified by simulation approaches and experimental data of NICSs. New simulations of OD-structures show that dusty plasma remains in crystalline(strongly coupled) state at lower temperature and constant F*values, for the whole simulation runs. Our investigations show that the crystalline structure is changed and the particle structure switches from intermediate to disorder(nonideal gaseous) state with an increase of the system's temperature. It has been shown that the long range order shifts toward lower temperature with increasing κ. The presented technique exhibits that the potential energy has a maximum value when the dusty plasma remains in crystalline states(low temperatures),which confirms earlier 3 D simulation results.展开更多
基金support of the Fundamental Research Funds for the Central Universities of China(Grant No.2019ZDPY16).
文摘We employ the Green–Kubo(G-K)and Einstein relations to estimate the self-diffusion coefficients(denoted as D_(G)and D_(E),respectively)in two-dimensional(2D)strongly coupled dusty plasmas(SC-DPs)via equilibrium molecular dynamics(EMD)simulations.D_(G)and D_(E)are computed for a broad domain of screening length(κ)and coupling parameters(Γ)along with different system sizes.It is observed that both D_(G)and D_(E)decrease linearly with increasing Г in warm liquid states and increase with increasingκ.In cold liquid states,the Einstein relation accurately predicts D_(E)in 2D SC-DPs because diffusion motion is close to normal diffusion,but the G-K relation provides overestimations of D_(G),because VACF indicates anomalous diffusion;thus,D_(G)is not accurate.Our new simulation outcomes reveal that D_(G)and D_(E)remain independent of system sizes.Furthermore,our investigations demonstrate that at higher temperatures,D_(G)and D_(E)converge,suggesting diffusion motion close to normal diffusion,while at lower temperatures,these two values diverge.We find reasonable agreement by comparing current and existing numerical,theoretical and experimental data.Moreover,when normalizing diffusion coefficients by the Einstein frequency and testing against the universal temperature scaling law,D_(G)deviates from theoretical curves at low temperatures and κ,whereas D_(E)only disagrees with theory at very smallκ(■0.10).These findings provide valuable insight into diagnosing dust component parameters within 2D DP systems and contribute to the broader understanding of diffusion processes in DP environments.
文摘Thermodynamic properties of a Debye-Yukawa system of particles are explored by using molecular dynamics simulation in the canonical ensemble. The excess free energy f of the Debye-Yukawa system is calculated by using two different approaches for the liquid phase, and the energy is obtained in a coupling parameter range of 0 ≤ F ≤100 and a wide range of the screening parameter κ. Simulation measurements for excess internal energy and pressure of the system over dimensionless parameters （κ, F） are also presented and compared with previous theoretical and simulated results. A F-expansion-fitting approach for the liquid phase is introduced with the expansion coefficients, which are functions of the screening parameter κ. The fitting coefficients are obtained by directly comparing them with the simulation measurements with a relative deviation of 1% or less. It is shown that the computational results provide a relatively simple method to calculate the excess internal energy and free energy in certain cases, which depend strongly on Г.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11505286 and 11805272)
文摘The particle structure of a complex system has been explored through a unique Evans' s homogenous nonequilibrium molecular dynamics(HNEMD) simulation technique. The crystalline order–disorder structures(OD-structures) and the corresponding energies of three-dimensional(3 D) nonideal complex systems(NICSs) have been measured over a wide range of plasma states(■, κ) for a body-centered cubic(BCC) structure. The projected technique provides accurate ODstructures with fast convergence and applicable to very small size effect for different temperatures(≡ 1/■) and constant force field(F~*) values. The OD-structure obtained through HNEMD approach is found to be reasonable agreement and more reliable than those earlier identified by simulation approaches and experimental data of NICSs. New simulations of OD-structures show that dusty plasma remains in crystalline(strongly coupled) state at lower temperature and constant F*values, for the whole simulation runs. Our investigations show that the crystalline structure is changed and the particle structure switches from intermediate to disorder(nonideal gaseous) state with an increase of the system's temperature. It has been shown that the long range order shifts toward lower temperature with increasing κ. The presented technique exhibits that the potential energy has a maximum value when the dusty plasma remains in crystalline states(low temperatures),which confirms earlier 3 D simulation results.
