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The acquisition of reliable knowledge about the mechanism of short laser pulse interactions with semiconductor materials is an important step for high-tech technologies towards the development of new electronic devices, the functionalization of material surfaces with predesigned optical properties, and the manufacturing of nanorobots (such as nanoparticles) for bio-medical applications. The laser-induced nanostructuring of semiconductors, however, is a complex phenomenon with several interplaying processes occurring on a wide spatial and temporal scale. In this work, we apply the atomistic–continuum approach for modeling the interaction of an fs-laser pulse with a semiconductor target, using monolithic crystalline silicon (c-Si) and porous silicon (Si). This model addresses the kinetics of non-equilibrium laser-induced phase transitions with atomic resolution via molecular dynamics, whereas the effect of the laser-generated free carriers (electron–hole pairs) is accounted for via the dynamics of their density and temperature. The combined model was applied to study the microscopic mechanism of phase transitions during the laser-induced melting and ablation of monolithic crystalline (c-Si) and porous Si targets in a vacuum. The melting thresholds for the monolithic and porous targets were found to be 0.32 J/cm2 and 0.29 J/cm2, respectively. The limited heat conduction mechanism and the absence of internal stress accumulation were found to be involved in the processes responsible for the lowering of the melting threshold in the porous target. The results of this modeling were validated by comparing the melting thresholds obtained in the simulations to the experimental values. A difference in the mechanisms of ablation of the c-Si and porous Si targets was considered. Based on the simulation results, a prediction regarding the mechanism of the laser-assisted production of Si nanoparticles with the desired properties is drawn. [ABSTRACT FROM AUTHOR]

Proton therapy is one of the promising radiotherapy modalities for the treatment of deep-seated and unresectable tumors, and its efficiency can further be enhanced by using boron-containing substances. Here, we explore the use of elemental boron (B) nanoparticles (NPs) as sensitizers for proton therapy enhancement. Prepared by methods of pulsed laser ablation in water, the used B NPs had a mean size of 50 nm, while a subsequent functionalization of the NPs by polyethylene glycol improved their colloidal stability in buffers. Laser-synthesized B NPs were efficiently absorbed by MNNG/Hos human osteosarcoma cells and did not demonstrate any remarkable toxicity effects up to concentrations of 100 ppm, as followed from the results of the MTT and clonogenic assay tests. Then, we assessed the efficiency of B NPs as sensitizers of cancer cell death under irradiation by a 160.5 MeV proton beam. The irradiation of MNNG/Hos cells at a dose of 3 Gy in the presence of 80 and 100 ppm of B NPs led to a 2- and 2.7-fold decrease in the number of formed cell colonies compared to control samples irradiated in the absence of NPs. The obtained data unambiguously evidenced the effect of a strong proton therapy enhancement mediated by B NPs. We also found that the proton beam irradiation of B NPs leads to the generation of reactive oxygen species (ROS), which evidences a possible involvement of the non-nuclear mechanism of cancer cell death related to oxidative stress. Offering a series of advantages, including a passive targeting option and the possibility of additional theranostic functionalities based on the intrinsic properties of B NPs (e.g., photothermal therapy or neutron boron capture therapy), the proposed concept promises a major advancement in proton beam-based cancer treatment. [ABSTRACT FROM AUTHOR]

We analyzed the formation of the aluminum (Al) nanoparticles (NPs) with triangular shape obtained by ablating Al bulk in liquid using pulses with different durations (5 ns, 200 ps, and 30 fs) and wavelengths (355 nm, 800 nm, and 1064 nm). We report three stages of synthesis and aging of Al NPs: Formation, transformation, and stable stage. The NPs prepared by different pulses are almost identical at the initial stage. The effects of duration and wavelength of the ablation pulses on the aging of NPs are revealed. Pulse duration is determined to be essential for morphological transformation of NPs, while pulse wavelength strongly influences particle sizes. NPs produced by ultra-short pulses have smaller sizes and narrow size distribution. We demonstrate that oxidation and hydrolysis of Al in water are the results of ablation for all pulse durations and wavelengths, which also strongly modify the preferable reaction path of NPs in water, thus affecting the composition and morphology of triangle NPs. The results of modeling of the NPs generation in water due to a 50 ps laser pulse interacting with a thick Al target are presented. Water-based effects in the formation of NPs, their evolution, and solidification are considered from the mechanical and thermophysical points of view. The detailed analysis of the modeling results allowed for determination of the main mechanism responsible for the ablation process followed by the NPs formation. [ABSTRACT FROM AUTHOR]