Using nonequilibrium molecular dynamics simulations, we study the non-Newtonian rhe-ological behaviors of a monoatomic fluid governed by the Lennard-Jones potential. Both steady Couette and oscillatory shear flows are...Using nonequilibrium molecular dynamics simulations, we study the non-Newtonian rhe-ological behaviors of a monoatomic fluid governed by the Lennard-Jones potential. Both steady Couette and oscillatory shear flows are investigated. Shear thinning and normal stress effects are observed in the steady Couette flow simulations. The radial distribution function is calculated at different shear rates to exhibit the change of the microscopic struc- ture of molecules due to shear. We observe that for a larger shear rate the repulsion between molecules is more powerful while the attraction is weaker, and the above phenomena can also be confirmed by the analyses of the potential energy. By applying an oscillatory shear to the system, several findings are worth mentioning here： First, the phase difference between the shear stress and shear rate increases with the frequency. Second, the real part of complex viscosity first increases and then decreases while the imaginary part tends to increase mono- tonically, which results in the increase of the proportion of the imaginary part to the real part with the increasing frequency. Third, the ratio of the elastic modulus to the viscous modulus also increases with the frequency. These phenomena all indicate the appearance of viscoelasticity and the domination of elasticity over viscosity at high oscillation frequency for Lennard-Jones fluids.展开更多
Design and application of tunable phononic crystals(PnCs)are attracting increasing interest due to their promising capabilities to manipulate acoustic and elastic waves effectively.This paper investigates topology opt...Design and application of tunable phononic crystals(PnCs)are attracting increasing interest due to their promising capabilities to manipulate acoustic and elastic waves effectively.This paper investigates topology optimization of the magnetorheological(MR)materials including PnCs for opening the tunable and wide bandgaps.Therein,the bandgap tunability of the PnCs is achieved by shear modulus variation of MR materials under a continuously changing applied magnetic field.The pseudo elemental densities representing the bi-material distribution inside the PnC unit cell are taken as design variables and interpolated with an artificial MR penalization model.An aggregated bandgap index for enveloping the extreme values ofbandgap width and tunable range of the MR included smart PnCs is proposed as the objective function.In this context,the sensitivity analysis scheme is derived,and the optimization problem is solved with the gradient-based mathematical programming method.The effectiveness of the proposed optimization method is demonstrated by numerical examples,where the optimized solutions present tunable and stably wide bandgap characteristics under different magnetic fields.The tunable optimized PnCs based device that can provide a wider tunable bandgap range is also explored.展开更多
Most failures or instabilities of geotechnical structures commonly result from shear failure in soil. In addition, many infrastructures are constructed within the unsaturated zone. Therefore, the determination of shea...Most failures or instabilities of geotechnical structures commonly result from shear failure in soil. In addition, many infrastructures are constructed within the unsaturated zone. Therefore, the determination of shear strength of unsaturated soil is crucial in geotechnical design. The soil-water characteristic curve(SWCC) is commonly used to estimate the shear strength of unsaturated soil because the direct measurement is time-consuming and costly. However, the uncertainty associated with the determined SWCC is rarely considered in the estimation of the shear strength. In this paper, the uncertainties of SWCC resulted from different factors are reviewed and discussed. The variability of the estimated shear strength for the unsaturated soil due to the uncertainty of SWCC associated with the best fit process is quantified by using the upper and lower bounds of the determined SWCC. On the other hand, the uncertainties of the estimated shear strength due to different initial void ratios or different confining pressures are quantified by adopting different SWCCs. As a result, it is recommended that the measured SWCC from the conventional Tempe cell or pressure plate needs to be corrected by considering different stress levels in the estimation of the shear strength of unsaturated soil.展开更多
A theoretical model extended from the Frenkel-Eyring molecular kinetic theory(MKT)was applied to describe the boundary slip on textured surfaces.The concept of the equivalent depth of potential well was adopted to cha...A theoretical model extended from the Frenkel-Eyring molecular kinetic theory(MKT)was applied to describe the boundary slip on textured surfaces.The concept of the equivalent depth of potential well was adopted to characterize the solid-liquid interactions on the textured surfaces.The slip behaviors on both chemically and topographically textured surfaces were investigated using molecular dynamics(MD)simulations.The extended MKT slip model is validated by our MD simulations under various situations,by constructing different complex surfaces and varying the surface wettability as well as the shear stress exerted on the liquid.This slip model can provide more comprehensive understanding of the liquid flow on atomic scale by considering the influence of the solid-liquid interactions and the applied shear stress on the nano-flow.Moreover,the slip velocity shear-rate dependence can be predicted using this slip model,since the nonlinear increase of the slip velocity under high shear stress can be approximated by a hyperbolic sine function.展开更多
文摘Using nonequilibrium molecular dynamics simulations, we study the non-Newtonian rhe-ological behaviors of a monoatomic fluid governed by the Lennard-Jones potential. Both steady Couette and oscillatory shear flows are investigated. Shear thinning and normal stress effects are observed in the steady Couette flow simulations. The radial distribution function is calculated at different shear rates to exhibit the change of the microscopic struc- ture of molecules due to shear. We observe that for a larger shear rate the repulsion between molecules is more powerful while the attraction is weaker, and the above phenomena can also be confirmed by the analyses of the potential energy. By applying an oscillatory shear to the system, several findings are worth mentioning here： First, the phase difference between the shear stress and shear rate increases with the frequency. Second, the real part of complex viscosity first increases and then decreases while the imaginary part tends to increase mono- tonically, which results in the increase of the proportion of the imaginary part to the real part with the increasing frequency. Third, the ratio of the elastic modulus to the viscous modulus also increases with the frequency. These phenomena all indicate the appearance of viscoelasticity and the domination of elasticity over viscosity at high oscillation frequency for Lennard-Jones fluids.
基金supported by the National Natural Science Foundation of China(Grant No.12102079).
文摘Design and application of tunable phononic crystals(PnCs)are attracting increasing interest due to their promising capabilities to manipulate acoustic and elastic waves effectively.This paper investigates topology optimization of the magnetorheological(MR)materials including PnCs for opening the tunable and wide bandgaps.Therein,the bandgap tunability of the PnCs is achieved by shear modulus variation of MR materials under a continuously changing applied magnetic field.The pseudo elemental densities representing the bi-material distribution inside the PnC unit cell are taken as design variables and interpolated with an artificial MR penalization model.An aggregated bandgap index for enveloping the extreme values ofbandgap width and tunable range of the MR included smart PnCs is proposed as the objective function.In this context,the sensitivity analysis scheme is derived,and the optimization problem is solved with the gradient-based mathematical programming method.The effectiveness of the proposed optimization method is demonstrated by numerical examples,where the optimized solutions present tunable and stably wide bandgap characteristics under different magnetic fields.The tunable optimized PnCs based device that can provide a wider tunable bandgap range is also explored.
基金Project supported by the National Natural Science Foundation of China(No.51878160)the National Key Research and Development Program of China(No.2017YFC00703408)the Research Funding from China Huaneng Group Co.Ltd.(No.HNKJ19-H17)。
文摘Most failures or instabilities of geotechnical structures commonly result from shear failure in soil. In addition, many infrastructures are constructed within the unsaturated zone. Therefore, the determination of shear strength of unsaturated soil is crucial in geotechnical design. The soil-water characteristic curve(SWCC) is commonly used to estimate the shear strength of unsaturated soil because the direct measurement is time-consuming and costly. However, the uncertainty associated with the determined SWCC is rarely considered in the estimation of the shear strength. In this paper, the uncertainties of SWCC resulted from different factors are reviewed and discussed. The variability of the estimated shear strength for the unsaturated soil due to the uncertainty of SWCC associated with the best fit process is quantified by using the upper and lower bounds of the determined SWCC. On the other hand, the uncertainties of the estimated shear strength due to different initial void ratios or different confining pressures are quantified by adopting different SWCCs. As a result, it is recommended that the measured SWCC from the conventional Tempe cell or pressure plate needs to be corrected by considering different stress levels in the estimation of the shear strength of unsaturated soil.
基金supported by the National Natural Science Foundation of China(Grant Nos.U1262103,11302218 and 11172289)Anhui Provincial Natural Science Foundation(Grant Nos.1308085QA10 and 1408085J08)the Fundamental Research Funds for the Central Universities of China
文摘A theoretical model extended from the Frenkel-Eyring molecular kinetic theory(MKT)was applied to describe the boundary slip on textured surfaces.The concept of the equivalent depth of potential well was adopted to characterize the solid-liquid interactions on the textured surfaces.The slip behaviors on both chemically and topographically textured surfaces were investigated using molecular dynamics(MD)simulations.The extended MKT slip model is validated by our MD simulations under various situations,by constructing different complex surfaces and varying the surface wettability as well as the shear stress exerted on the liquid.This slip model can provide more comprehensive understanding of the liquid flow on atomic scale by considering the influence of the solid-liquid interactions and the applied shear stress on the nano-flow.Moreover,the slip velocity shear-rate dependence can be predicted using this slip model,since the nonlinear increase of the slip velocity under high shear stress can be approximated by a hyperbolic sine function.
