High-Energy and Thermally Stable Energetic Materials Based on an Azo-Fused Dinitramino Compound.

Here, azo-fused dinitramino energetic compound 5,5'-dinitramino-8,8'-azo-1,2,5-oxadiazolo[3,4-][1,2,4]triazolo[4,3-]pyrazine () and its energetic salts - have been prepared. Azo-fused dinitramino compound exhibits excellent detonation performance ( = 36.13 GPa, and = 9126 m s), which is obviously better than that of RDX ( = 8796 m s, and = 33.

An advanced furoxan-bridged heat-resistant explosive.

Nowadays, thousands of energetic materials have been synthesized, but only a few compounds meet all the high standards of detonation performance comparable to that of the widely used military explosive RDX, thermal stability comparable to that of the most widely used heat-resistant explosive HNS, and impact sensitivity comparable to that of the traditional explosive TNT. Also, as a goal, a novel and unexpected one-step method for constructing the furoxan-bridged energetic compound 3,4-bis(3,8-dinitropyrazolo[5,1-][1,2,4]triazin-4-amino-7-yl)-1,2,5-oxadiazole 2-oxide (OTF) has been achieved under the conventional TFA/100% HNO nitration reaction system from the acetic acid intermediate. In this work, OTF with a high density of 1.

Femtosecond coherent anti-Stokes Raman spectroscopy study of vibrational dynamics of liquid chloroform.

Femtosecond time-resolved coherent anti-Stokes Raman spectroscopy (CARS) was used to study the dynamics of the vibrational modes of liquid chloroform. The vibrational modes were selectively excited and their coherent vibrational dynamics were obtained. Some subtle features that are difficult to distinguish in the ordinary spontaneous Raman spectrum, such as overtones and combinations of some fundamental vibrational modes, were recognized from the CARS transients.

Ab initio molecular dynamics simulation of vibrational energy redistribution of selective excitation of C-H stretching vibrations for solid nitromethane.

Vibrational energy redistribution (VER) of energetic materials plays an important role in transferring the injected energy to the hot spots, but it is extremely challenging to understand the mechanism of VER from experimental or theoretical studies. Here, we combined nonequilibrium molecular dynamics with density functional theory to study the processes of VER for solid nitromethane after the selective excitation of the C-H stretching vibration. The VER processes are traced by monitoring the normal-mode kinetic energies of both excited and unexcited vibrations.

Tracking Intramolecular Vibrational Redistribution in Polyatomic Small-Molecule Liquids by Ultrafast Time-Frequency-Resolved CARS.

Selective excitation of C-H stretching vibrational modes, detection of intramolecular vibrational energy redistribution (IVR), and vibrational modes coupling in the electronic ground state of benzene are performed by using femtosecond time- and frequency-resolved coherent anti-Stokes Raman scattering (CARS) spectroscopy. Both of the parent modes in the Raman-active bands are coherently excited by an ultrafast stimulated Raman pump, giving initial excitations of 3056 cm (A) and 3074 cm (E) and subsequent IVR from the parent modes to daughter modes of 1181 and 992 cm, and the coherent vibrational coupling of the relevant modes is tracked. The directionality and selectivity of IVR and coherent coupling among all of the relevant vibrational modes are discussed in the view of molecular symmetry.

Visualizing Intramolecular Vibrational Redistribution in Cyclotrimethylene Trinitramine (RDX) Crystals by Multiplex Coherent Anti-Stokes Raman Scattering.

The femtosecond time-resolved multiplex coherent anti-Stokes Raman scattering (CARS) technique has been performed to investigate intramolecular vibrational redistribution (IVR) through vibrational couplings in 1,3,5-trinitro-1,3,5-triazacyclohexane (RDX) molecules. In the multiplex CARS experiment, the supercontinuum (SC) was used as broad-band Stokes light to coherently and collectively excite multiple vibrational modes, and quantum beats arising from vibrational couplings among these modes were observed. The IVR of RDX is visualized by a topological graph of these vibrational couplings, and with analysis of the topological graph, two vibrational modes, both of which are assigned to ring bending, are confirmed to have coupling interactions with most of the other vibrational modes and are considered to have a tendency of energy transfer with these vibrational modes.

Decentralized Dimensionality Reduction for Distributed Tensor Data Across Sensor Networks.

This paper develops a novel decentralized dimensionality reduction algorithm for the distributed tensor data across sensor networks. The main contributions of this paper are as follows. First, conventional centralized methods, which utilize entire data to simultaneously determine all the vectors of the projection matrix along each tensor mode, are not suitable for the network environment.

Distributed dictionary learning for sparse representation in sensor networks.

This paper develops a distributed dictionary learning algorithm for sparse representation of the data distributed across nodes of sensor networks, where the sensitive or private data are stored or there is no fusion center or there exists a big data application. The main contributions of this paper are: 1) we decouple the combined dictionary atom update and nonzero coefficient revision procedure into two-stage operations to facilitate distributed computations, first updating the dictionary atom in terms of the eigenvalue decomposition of the sum of the residual (correlation) matrices across the nodes then implementing a local projection operation to obtain the related representation coefficients for each node; 2) we cast the aforementioned atom update problem as a set of decentralized optimization subproblems with consensus constraints. Then, we simplify the multiplier update for the symmetry undirected graphs in sensor networks and minimize the separable subproblems to attain the consistent estimates iteratively; and 3) dictionary atoms are typically constrained to be of unit norm in order to avoid the scaling ambiguity.