Multiscale Simulation of Surface Defect Influence in Nanoindentation by a Quasi-Continuum Method

Microscopic properties of crystal aluminum thin film have been investigated using the quasi-continuum method in order to study the influence of surface defects in nanoindentation. Various distances between the surface pit defect and indenter and various sizes of the pit have been calculated. In this simulation, as the distance between the pit and indenter increases, the nanohardness increases in a wave that goes up in a period of three atoms, and it is found closely related to the crystal structure of periodic atom arrangement on {1 1 1} atomic close-packed planes of FCC metal; there is almost no influence on the nanohardness when the adjacent distance between the pit and indenter is more than 16 atomic spacing. We have modified the theoretical equation of the necessary load for elastic-to-plastic transition of Al film with the initial surface defect size. Furthermore, when the size coefficient of width (of height) equals about one unit (half unit), the yield load experiences an obvious drop. When it reaches about two units (one unit), the yield load is nearly close to that of the nanoindentation on a stepped surface. Additionally, compared to the width, the height of surface pit defect displays a greater influence on the yield load of thin film

Exogenous Melatonin Improves Cold Tolerance of Strawberry (Fragaria × ananassa Duch.) through Modulation of DREB/CBF-COR Pathway and Antioxidant Defense System

The strawberry (Fragaria × ananassa Duch.) is an important fruit crop cultivated worldwide for its unique taste and nutritional properties. One of the major risks associated with strawberry production is cold damage. Recently, melatonin has emerged as a multifunctional signaling molecule that influences plant growth and development and reduces adverse consequences of cold stress. The present study was conducted to investigate the defensive role of melatonin and its potential interrelation with abscisic acid (ABA) in strawberry plants under cold stress. The results demonstrate that melatonin application conferred improved cold tolerance on strawberry seedlings by reducing malondialdehyde and hydrogen peroxide contents under cold stress. Conversely, pretreatment of strawberry plants with 100 μM melatonin increased soluble sugar contents and different antioxidant enzyme activities (ascorbate peroxidase, catalase, and peroxidase) and non-enzymatic antioxidant (ascorbate and glutathione) activities under cold stress. Furthermore, exogenous melatonin treatment stimulated the expression of the DREB/CBF—COR pathways’ downstream genes. Interestingly, ABA treatment did not change the expression of the DREB/CBF—COR pathway. These findings imply that the DREB/CBF-COR pathway confers cold tolerance on strawberry seedlings through exogenous melatonin application. Taken together, our results reveal that melatonin (100 μM) pretreatment protects strawberry plants from the damages induced by cold stress through enhanced antioxidant defense potential and modulating the DREB/CBF—COR pathway. View Full-Tex

Effects of Crystalline Anisotropy and Indenter Size on Nanoindentation by Multiscale Simulation

Nanoindentation processes in single crystal Ag thin film under different crystallographic orientations and various indenter widths are simulated by the quasicontinuum method. The nanoindentation deformation processes under influences of crystalline anisotropy and indenter size are investigated about hardness, load distribution, critical load for first dislocation emission and strain energy under the indenter. The simulation results are compared with previous experimental results and Rice-Thomson (R-T) dislocation model solution. It is shown that entirely different dislocation activities are presented under the effect of crystalline anisotropy during nanoindentation. The sharp load drops in the load–displacement curves are caused by the different dislocation activities. Both crystalline anisotropy and indenter size are found to have distinct effect on hardness, contact stress distribution, critical load for first dislocation emission and strain energy under the indenter. The above quantities are decreased at the indenter into Ag thin film along the crystal orientation with more favorable slip directions that easy trigger slip systems; whereas those will increase at the indenter into Ag thin film along the crystal orientation with less or without favorable slip directions that hard trigger slip systems. The results are shown to be in good agreement with experimental results and R-T dislocation model solution

The Effect of the Vertex Angles of Wedged Indenters on Deformation during Nanoindentation

In order to study the effect of the angle of wedged indenters during nanoindentation, indenters with half vertex angles of 60°, 70° and 80° are used for the simulations of nanoindentation on FCC aluminum (Al) bulk material by the multiscale quasicontinuum method (QC). The load-displacement responses, the strain energy-displacement responses, and hardness of Al bulk material are obtained. Besides, atomic configurations for each loading situation are presented. We analyze the drop points in the load-displacement responses, which correspond to the changes of microstructure in the bulk material. From the atom images, the generation of partial dislocations as well as the nucleation and the emission of perfect dislocations have been observed with wedged indenters of half vertex angles of 60° and 70°, but not 80°. The stacking faults move beneath the indenter along the direction [ 1 1 ¯ 0 ] . The microstructures of residual displacements are also discussed. In addition, hardness of the Al bulk material is different in simulations with wedged indenters of half vertex angles of 60° and 70°, and critical hardness in the simulation with the 70° indenter is bigger than that with the 60° indenter. The size effect of hardness in plastic wedged nanoindentation is observed. There are fewer abrupt drops in the strain energy-displacement response than in the load-displacement response, and the abrupt drops in strain energy-displacement response reflect the nucleation of perfect dislocations or extended dislocations rather than partial dislocations. The wedged indenter with half vertex angle of 70° is recommended for investigating dislocations during nanoindentation

Time-Splitting Chebyshev-Spectral Method for the Schrödinger Equation in the Semiclassical Regime with Zero Far-Field Boundary Conditions

Semiclassical limit of Schrödinger equation with zero far-field boundary conditions is investigated by the time-splitting Chebyshev-spectral method. The numerical results of the position density and current density are presented. The time-splitting Chebyshev-spectral method is based on Strang splitting method in time coupled with Chebyshev-spectral approximation in space. Compared with the time-splitting Fourier-spectral method, the time-splitting Chebyshev-spectral method is unnecessary to treat the wave function as periodic and holds the smoothness of the wave function. For different initial conditions and potential (e.g. constant potential and harmonic potential), extensive numerical test examples in one-dimension are studied. The numerical results are in good agreement with the weak limit solutions. It shows that the time-splitting Chebyshev-spectral method is effective in capturing ?-oscillatory solutions of the Schrödinger equation with zero far-field boundary conditions. In addition, the time-splitting Chebyshev-spectral method surpasses the traditional finite difference method in the meshing strategy due to the exponentially high-order accuracy of Chebyshev-spectral method

Atomistic Study of Interactions between Intrinsic Kink Defects and Dislocations in Twin Boundaries of Nanotwinned Copper during Nanoindentation

In order to study the effects of kink-like defects in twin boundaries on deformation mechanisms and interaction between dislocations and defects in twin boundaries under localized load, nanotwinned Cu with two defective twin (TDT) boundaries is compared with the nanotwinned Cu with two perfect twin (TPT) boundaries, and nanotwinned Cu with single defective twin (SDT) boundary and single perfect twin boundary by simulating spherical nanoindentations using molecular mechanics. The indenter force-depth and hardness-contact strain responses were analyzed. Results show that the existence of intrinsic defects in twin boundary could reduce the critical load and critical hardness of nanotwinned material. A quantitative parameter was first proposed to evaluate the degree of surface atom accumulation around the indenter during nanoindentation, and it can be inferred that the surface morphology in TDT changes more frequently than the surface morphologies in TPT and SDT. The atomistic configurations of incipient plastic structures of three different models were also analyzed. We found that the intrinsic defects in twin boundary will affect the incipient plastic structures. The formation of twinning partial slip on the defective twin boundary happens before the contact of the dislocation and twin boundary. The kink-like defects could introduce Frank partial dislocation to the twin boundary during interaction between dislocation and twin boundary, which was not detected on the perfect twin boundary. In addition, the area of twinning partial slips on the upper twin boundary in the incipient plastic structures in SDT and TDT are larger than the twinning partial slip area in TPT, which results in the reduction of the critical hardness in SDT and TDT. The kink-like defects could also block the expansion of twinning partial slip on the twin boundary. Furthermore, we investigated the dislocation transmission processes in three different models. It is found that the dislocation transmission event could be delayed in model containing single defective twin boundary, while the transmission process could be advanced in model containing two consecutive defective twin boundaries. The quantitative analysis of dislocation length was also implemented. Result shows that the main emitted dislocation during nanoindentation is Shockley partial, and the dislocation nucleation in SDT and TDT is earlier than the dislocation nucleation in TPT due to the existence of defects. It is inferred that the intrinsic defects on twin boundaries could enhance the interaction between dislocations and twin boundaries, and could strongly change the structure evolution and promote the dislocation nucleation and emission. These findings about kink-like defects in twin boundaries show that the inherent kink-like defects play a crucial role in the deformation mechanisms and it should be taken into consideration in future investigations. Single defective twin boundary structure is recommended to delay the transmission and block the expansion of twin boundary migration. Some of the results are in good agreement with experiments