The reaction mechanism and interfacial crystallization of Al nanoparticle-embedded Ni under shock loading

The shock-induced reaction mechanism and characteristics of Ni/Al system,considering an Al nanoparticle-embedded Ni single crystal,are investigated through molecular dynamics simulation.For the shock melting of Al nanoparticle,interfacial crystallization and dissolution are the main characteristics.The reaction degree of Al particle first increases linearly and then logarithmically with time driven by rapid mechanical mixing and following dissolution.The reaction rate increases with the decrease of particle diameter,however,the reaction is seriously hindered by interfacial crystallization when the diameter is lower than 9 nm in our simulations.Meanwhile,we found a negative exponential growth in the fraction of crystallized Al atoms,and the crystallinity of B2-NiAl(up to 20%)is positively correlated with the specific surface area of Al particle.This can be attributed to the formation mechanism of B2-NiAl by structural evolution of finite mixing layer near the collapsed interface.For shock melting of both Al particle and Ni matrix,the liquid-liquid phase inter-diffusion is the main reaction mechanism that can be enhanced by the formation of internal jet.In addition,the enhanced diffusion is manifested in the logarithmic growth law of mean square displacement,which results in an almost constant reaction rate similar to the mechanical mixing process.

Identification of Serum Exosomal MicroRNA Expression Profiling in Menopausal Females with Osteoporosis by High-throughput Sequencing

Estrogen deficiency,which mainly occurs in postmenopausal women,is a primary reason for osteoporosis in clinical diagnosis.However,the molecular regulation of osteoporosis in menopausal females is still not adequately explained in the literature,with the diagnosis and treatment for osteoporosis being limited.Herein,exosomal microRNAs(miRNAs)were used to evaluate their diagnosis and prediction effects in menopausal females with osteoporosis.In this study,6 menopausal females without osteoporosis and 12 menopausal females with osteoporosis were enrolled.The serum exosomes were isolated,and the miRNA expression was detected by miRNA high-throughput sequencing.Exosomal miRNA effects were analyzed by Gene Ontology and Kyoto Encyclopedia of Genes and Genomes analyses.The miRNA-targeted genes were evaluated by Targetscan 7.2 and the protein-protein interactions(PPI)by STRING.Hub genes were analyzed by the CytoHubba app of Cytoscape.The results showed that 191 aberrant miRNAs were found in the group of menopausal females with osteoporosis,including 72 upregulated miRNAs and 121 downregulated miRNAs.Aberrant miRNAs were involved in many signaling pathways,such as the Wnt,MAPK,and Hippo pathways.Based on PPI network analysis,FBXL3,FBXL13,COPS2,UBE2D3,DCUN1D1,DCUN1D4,CUL3,FBXO22,ASB6,and COMMD2 were the 10 most notable genes in the PPI network.In conclusion,aberrant serum exosomal miRNAs were associated with an altered risk of osteoporosis in menopausal females and may act as potential biomarkers for the prediction of risk of osteoporosis in menopausal females.

Atomistic study on tensile fracture of densified silica glass and its dependence on strain rate

Densification is a major feature of silica glass that has received widespread attention.This work investigates the fracture behavior of densified silica glass upon uniaxial tension based on atomistic simulations.It is shown that the tensile strength of the silica glass approximately experiences a parabolic reduction with the initial density,while the densified samples show a faster power growth with the increase of strain rate.Meanwhile,the fracture strain and strain energy increase significantly when the densification exceeds a certain threshold,but fracture strain tends to the same value and strain energy becomes closer for different densified samples at extreme high strain rate.Microscopic views indicate that all the cracks are formed by the aggregation of nanoscale voids.The transition from brittleness fracture to ductility fracture can be found with the increase of strain rate,as a few fracture cracks change into a network distribution of many small cracks.Strikingly,for the high densified sample,there appears an evident plastic flow before fracture,which leads to the crack number less than the normal silica glass at the high strain rate.Furthermore,the coordinated silicon analysis suggests that high strain rate tension will especially lead to the transition from 4-to 3-fold Si when the high densified sample is in plastic flow.

An improved model of damage depth of shock-melted metal in microspall under triangular wave loading

Damage depth is an important dynamic parameter for describing the degree of material damage and is also a key fundamental issue in the field of impact compression technology.The present work is dedicated to the damage depth of shock-melted metal in microspall under triangular wave loading,and an improved model of damage depth considering the material's compressibility and relative movement is proposed.The damage depth obtained from the proposed model is in good agreement with the laser-driven shock loading experiment.Compared with the previous model,the proposed model can predict the damage depth of shock-melted metal in microspall more accurately.Furthermore,two-groups of the smoothed particle hydrodynamics(SPH)simulations are carried out to investigate the effects of peak stress and decay length of the incident triangular wave on the damage depth,respectively.As the decay length increases,the damage depth increases linearly.As the peak stress increases,the damage depth increases nonlinearly,and the increase in damage depth gradually slows down.The results of the SPH simulations adequately reproduce the results of the proposed model in terms of the damage depth.Finally,it is found that the threshold stress criterion can reflect the macroscopic characteristics of microspall of melted metal.

Mechanical and microstructural response of densified silica glass under uniaxial compression: Atomistic simulations

We investigate the mechanical and microstructural changes of the densified silica glass under uniaxial loading-unloading via atomistic simulations with a modified BKS potential. The stress–strain relationship is found to include three respective stages: elastic, plastic and hardening regions. The bulk modulus increases with the initial densification and will undergo a rapid increase after complete densification. The yield pressure varies from 5 to 12 GPa for different densified samples. In addition, the Si–O–Si bond angle reduces during elastic deformation under compression, and 5-fold Si will increase linearly in the plastic deformation. In the hardening region, the peak splitting and the new peak are both found on the Si–Si and O–O pair radial distribution functions, where the 6-fold Si is increased. Instead, the lateral displacement of the atoms always varies linearly with strain, without evident periodic characteristic. As is expected, the samples are permanently densified after release from the plastic region, and the maximum density of recovered samples is about 2.64 g/cm^3, which contains 15 % 5-fold Si, and the Si–O–Si bond angle is less than the ordinary silica glass. All these findings are of great significance for understanding the deformation process of densified silica glass.