arXiv subjects

Yanqiang Yang

Publications and source records attributed to Yanqiang Yang.

3 recordsLinked to original sources

arXiv2026

Quantum master equation approach for the multiphonon up-pumping model

A fully quantum multiphonon up-pumping model is proposed to characterize coherent energy transfer in energetic materials (EMs) subjected to external shock. After eliminating the degrees of freedom of the phonon bath within a mean-field approximation, we derive a quantum master equation governing the energy transfer among vibrational modes. Our analysis reveals that doorway modes of different frequencies undergo distinct levels of effective coherent driving and dissipation, induced by the shocked phonon environment. This not only clarifies the microscopic origin of coherent phonon generation, but also reveals the possibility of modulating such coherent driving and dissipation. Based on numerical simulations of a simplified model using the master equation, we demonstrate how doorway modes extract energy from the phonon environment and subsequently excite higher-frequency molecular vibrational modes. This work offers a renewed perspective for understanding the mechanisms of energy transfer in energetic materials.

quant-ph↗

arXiv2019

Fluorescence temperature sensing based on thermally activated singlet-triplet intersystem crossing in crystalline anthracene

The temperature dependence of the steady-state fluorescence spectrum of anthracene crystals range from 300K to 500K had been investigated, which was in the temperature range of most tabletop laser-driven shock wave experiments. The interesting finding is that the fluorescence intensity of the 2-0 transition increases more rapidly than other transitions with the rising temperature. In particular, the transition intensity ratios γn all shows a perfect exponential increasing curve, which can be used for fluorescence temperature sensing. The analysis of sensitivity η and random uncertainty ΔT has demonstrated that the intensity ratio γ2 is the best comprehensive performance physical quantity for temperature sensing. The theoretical analysis and experimental results demonstrated that unusual intensity increasing of 2-0 transition was originated from the second excited triplet state T2, which was thermally coupled with the first excited singlet sate S1. In a word, we established a new fluorescence temperature sensing method based on the intensity ratio and clarified the mechanism of this method was the thermally activated singlet-triplet intersystem crossing.

physics.app-ph↗

arXiv2017

Spin Polarization and Dispersion Effects in Emergence of Roaming Transition State for Nitrobenzene Isomerization

Since roaming was found as a new but common reaction path of isomerization, many of its properties, especially those of roaming transition state (TSR), have been studied recently on many systems. However, the mechanism of roaming is still not clear at the atomic level. In this work, we used first-principles calculations to illustrate the detailed structure of TSR in an internal isomerization process of nitrobenzene. The calculations distinctively show its nature of antiferromagnetic coupling between two roaming fragments. Moreover, the effect of dispersion is also revealed as an important issue for the stability of the TSR. Our work provides a new insight from the view of electronic structure towards the TSR and contributes to the basic understanding of the roaming systems.

physics.atm-clus↗