Motivated by recent successful synthesis of transition metal dinitride TiN2, the electronic structure and mechanical properties of the discovered TiN2 and other two family members (ZrN2 and HfN2) have been thus fully investigated by using first-principles calculations to explore the possibilities and provide guidance for future experimental efforts. The incompressible nature of these tetragonal TMN2 (TM = Ti, Zr, and Hf) compounds has been demonstrated by the calculated elastic moduli, originating from the strong N-N covalent bonds that connect the TMN8 units. However, as compared with traditional fcc transition metal mononitride (TMN), the TMN2 possess a larger elastic anisotropy may impose certain limitations on possible applications. Further mechanical strength calculations show that tetragonal TMN2 exhibits a strong resistance against (100)[010] shear deformation prevents the indenter from making a deep imprint, whereas the peak stress values (below 12 GPa) of TMN2 along shear directions are much lower than those of TMN, showing their lower shear resistances than these known hard wear-resistant materials. The shear deformation of TMN2 at the atomic level during shear deformation can be attributed to the collapse of TMN8 units with breaking of TM-N bonds through the bonding evolution and electronic localization analyses.

1,3,5-Triamino-2,4,6-trinitrobenzene (TATB) is a typical insensitive high explosive (IHE) that possesses excellent heat, impact, and shock stability. However, it is sensitive to light irradiation, which can produce a long-lived free radical. In this study, (time-dependent) density functional theory is employed to study the features of the ground state (S0), the first singlet excited state (S1), and the first triplet excited state (T1). Results indicate the progress of photolysis, which involves an intersystem crossing from S1 to T1 followed by NO2-ONO isomerization. The long-lived radical produced in TATB photolysis is identified as the phenoxyl radical R-NO by investigating the formation feasibility and the stability. The experimental observation of the changes in the ultraviolet absorption spectra of TATB supports the identification.

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The orbital angular momentum (OAM) of light has been implemented as an information carrier in OAM holography. Holographic information can be multiplexed in theoretical unbounded OAM channels, promoting the applications of optically addressable dynamic display and high-security optical encryption. However, the frame-rate of the dynamic extraction of the information reconstruction process in OAM holography is physically determined by the switching speed of the incident OAM states, which is currently below 30 Hz limited by refreshing rate of the phase-modulation spatial light modulator (SLM). Here, based on a cross convolution with the spatial frequency of the OAM-multiplexing hologram, the spatial frequencies of an elaborately-designed amplitude distribution, namely amplitude decoding key, has been adopted for the extraction of three-dimensional holographic information encoded in a specific OAM information channel. We experimentally demonstrated a dynamic extraction frame rate of 100 Hz from an OAM multiplexing hologram with 10 information channels indicated by individual OAM values from -50 to 50. The new concept of cross convolution theorem can even provide the potential of parallel reproduction and distribution of information encoded in many OAM channels at various positions which boosts the capacity of information processing far beyond the traditional decoding methods. Thus, our results provide a holographic paradigm for high-speed 3D information processing, paving an unprecedented way to achieve the high-capacity short-range optical communication system.

In present work, simultaneously introducing magnetic proximity and ferroelectric filed effect is demonstrated to be an encouraging strategy toward obtaining nonvolatile electrically-controlled 2D van der Waals ferromagnetic semiconductors. By using...