Article
Engineering, Civil
Liguo Jin, Guojin Tang, Jianwen Liang
Summary: The study investigates the impact of soil-structure-equipment interaction on the response of structure-equipment interaction using a 2D model, finding that SSI significantly influences the response and challenges the traditional fixed base model.
JOURNAL OF EARTHQUAKE ENGINEERING
(2021)
Article
Chemistry, Multidisciplinary
Wen-Shuai Dong, Yong Hu, Zu-jia Lu, Chao Zhang, Xiaowei Wu, Jian-Guo Zhang
Summary: The design of energetic compounds usually focuses on achieving the plane effect to obtain compounds with high density, high thermal stability, and low sensitivity. A four-ring energetic compound was efficiently designed and synthesized by a clever intramolecular cyclization strategy. The compound exhibits excellent performance with good thermal stability, mechanical sensitivity, and positive heat of formation.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Engineering, Civil
Liguo Jin, Wen Zhou, Jianwen Liang, Yihe Huang
Summary: This study investigates a two-dimensional structure-equipment model and its response under different foundation stiffness. The results show that the foundation stiffness has a significant impact on the response of the soil-structure-equipment interaction system.
JOURNAL OF EARTHQUAKE ENGINEERING
(2022)
Article
Construction & Building Technology
Liguo Jin, Jun Zhu, Wen Zhou, Jianwen Liang, Guoxing Chen
Summary: This study investigates the structure-soil-structure interaction (SSSI) problem between a tunnel and its adjacent aboveground building using a 2D model. An analytical solution is presented for the system response under SH-wave excitation, and the influence of SSSI features on the response is analyzed. The resonance of the ground structure significantly affects the tunnel response, and the SSSI effect can amplify or reduce the structural relative response at specific frequencies and tunnel-building distances.
TUNNELLING AND UNDERGROUND SPACE TECHNOLOGY
(2022)
Article
Geochemistry & Geophysics
M. D. Sharma
Summary: This study focuses on the three-dimensional inhomogeneous propagation of four bulk waves in an anisotropic poroviscoelastic medium. It explores how partially opened surface pores restrict the seepage of pore fluid at the boundary. A generalized reflection phenomenon is illustrated for the incidence of inhomogeneous waves at this boundary.
GEOPHYSICAL PROSPECTING
(2021)
Article
Chemistry, Physical
Punhasa S. Senanayake, Raulia R. Syrlybaeva, Marat R. Talipov
Summary: This study investigated the potential energy profile of hydrogen-atom transfer and concluded that the cis-transition state for hydrogen transfer gained substantial stabilization from in-plane five-center six-electron aromaticity.
JOURNAL OF PHYSICAL CHEMISTRY A
(2022)
Article
Materials Science, Multidisciplinary
P. Moras, T. O. Mentes, F. Schiller, L. Ferrari, D. Topwal, A. Locatelli, P. M. Sheverdyaeva, C. Carbone
Summary: The existence of a unique photoelectron reference plane for a stepped solid surface is discussed based on angle-resolved photoelectron spectroscopy data for Ag films grown on Pt(997). Different step morphologies at the surface and interface result in distinctly different band dispersions of quantum well states and the Shockley surface state. The findings illustrate the connection of the photoelectron reference plane with the local morphology of a solid surface and the spatial extent of the electron wave functions.
Article
Chemistry, Physical
Guotao Sun, Hua Fang
Summary: The work investigated the fluorescent properties of probe HL and its mechanism for sensing Al3+ ion. HL has two competing deactivation processes: ESIPT and TICT. The TICT state, obtained by rotating the C-N single bond, is nonemissive and can quench the fluorescence. However, the formation of strong coordinate bonds between HL and Al3+ prohibits the TICT state and turns on the fluorescence.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Physics, Condensed Matter
Yusuke Nomura
Summary: The article introduces a variational wave function method based on neural networks, showing excellent performance in solving quantum many-body state problems. By supplementing quantum-number projections to restore symmetry in the RBM wave function, state-of-the-art accuracy is achieved in both ground-state and excited-state calculations. The study provides a practical guideline for achieving accuracy in a controlled manner.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2021)
Article
Engineering, Ocean
Yingyi Liu, Hui Liang, Masashi Kashiwagi, Peiwen Cong
Summary: The study introduces the application of interaction theory in solving wave interaction problems involving multiple surface-piercing bodies, with a focus on wave energy converter arrays. Mathematical formulations evaluated using the hybrid source-dipole distribution method show high accuracy. Two alternative approaches to solve the diffraction problem exhibit similar levels of accuracy but differ greatly in computational burden.
APPLIED OCEAN RESEARCH
(2021)
Article
Crystallography
Slawomir J. Grabowski
Summary: A method for calculating the energy of intramolecular hydrogen bonds was proposed and tested on malonaldehyde and its fluorine derivatives using calculations at the omega B97XD/aug-cc-pVTZ level. This method was compared with other approaches for estimating intramolecular hydrogen bond energy, and a function-based energy decomposition analysis for intramolecular hydrogen bonds was also introduced in this study.
Article
Geosciences, Multidisciplinary
Zhiwen Li, Duohua Wu, Manqing Xu, Zhifan Xia
Summary: This paper presents a series solution for the scattering and diffraction of plane SH waves from a semi-circular discontinuity in an elastic half-plane using the wave function expansion method. The effects of the discontinuity properties on wave scattering and seismic motion are revealed. The influence of the damping ratio of the medium on the seismic motion is also discussed based on the correspondence principle of viscoelasticity. The ground and underground motions induced by a transient plane SH wave are analyzed by combining the series solution and the inverse Fourier transform.
JOURNAL OF APPLIED GEOPHYSICS
(2023)
Article
Chemistry, Physical
Mihaly Purgel, Jan Heinrich Schuur
Summary: This article presents a methodology for analyzing and determining acid dissociation pK(a) values using plane wave functions and density functional theory. By scanning cell size-dependent pK values, certain patterns were identified and strategies were developed for predicting pK values of other compounds.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
(2023)
Article
Chemistry, Analytical
Jing Huang, Haojun Yao, Song Liu, Zhiming Xing, Yongxiang Miao, Zhibin Song, Guorui Li
Summary: Small-molecule-based fluorescent chemosensors are powerful tools in analytical chemistry, but they often suffer from aggregation-caused quenching (ACQ) in water. In this study, we proposed that sulfur substitution on a molecule could lead to an evolved ACQ-DIE probe. By modifying a G-quadruplex (G4) ligand to its thionation version, we obtained a probe called CTQ, which exhibited improved fluorescence performance and selective binding to G4 structures. CTQ has the potential to be used as a probe for accurate analysis of G4-related assays, particularly for distinguishing virus variants.
ANALYTICAL CHEMISTRY
(2022)
Article
Optics
Huayong Zhang, Zhixiang Huang
Summary: An exact analytical method is introduced to calculate light scattering by an infinitely long circular cylinder above a plane interface. The transformation relations of vector wave functions are used to deal with the coupling scattering between the cylinder and interface. By applying boundary conditions, unknown coefficients of the scattered field are determined in terms of vector wave functions. The computed Mueller matrix elements are compared with those measured for a plane wave incident from normal.
OPTICS COMMUNICATIONS
(2022)