相关论文: High-Throughput Computation of Anharmonic Low-Freq…
We study the fluctuations of the phonon modes in a one-dimensional chain of anharmonic oscillators where the deterministic Hamiltonian dynamics is perturbed by random exchanges of momentum between nearest neighbor particles. There are three…
We demonstrate strong coupling between the flexural vibration modes of a clamped-clamped micromechanical resonator vibrating at low amplitudes. This coupling enables the direct measurement of the frequency response via amplitude- and phase…
Without invoking the Markov approximation, we derive formulas for vibrational energy relaxation (VER) and dephasing for an anharmonic system oscillator using a time-dependent perturbation theory. The system-bath Hamiltonian contains more…
We present a detailed analysis of the production efficiency of weakly bound heteronuclear KRb-Feshbach molecules using radio frequency association in a harmonic trap. The efficiency was measured in a wide range of temperatures, binding…
We report a first-principles study on the elastic, vibrational, and electronic properties of recently synthesized phosphorene. By calculating Gr\"uneisen parameters, we evaluate the frequency shift of Raman/infrared active modes via…
We investigate proteins within heterogeneous cell membranes where non-equilibrium phenomena arises from spatial variations in concentration and temperature. We develop simulation methods building on non-equilibrium statistical mechanics to…
Background: High-throughput proteomics techniques, such as mass spectrometry (MS)-based approaches, produce very high-dimensional data-sets. In a clinical setting one is often interested in how mass spectra differ between patients of…
This study aimed to develop a virtual sensing algorithm of structural vibration for the real-time identification of unmeasured information. First, certain local point vibration responses (such as displacement and acceleration) are measured…
The frequency-dependent mean free paths (MFPs) of vibrational heat carriers in amorphous silicon are predicted from the length dependence of the spectrally decomposed heat current (SDHC) obtained from non-equilibrium molecular dynamics…
Single-molecule sensitive microscopies and spectroscopies are transforming biophysics and materials science laboratories. Techniques such as fluorescence correlation spectroscopy (FCS) and single-molecule sensitive fluorescence resonance…
In the present work, we give an analytical non-perturbative treatment of mode-mode coupling and anharmonicity occurring in molecular vibrational systems analyzed by 2D-infrared spectroscopy. This analytical description allows a detailed…
The dynamics of quasicrystals is characterized by the existence of phason excitations in addition to the usual phonon modes. In order to investigate their interplay on an elementary level we resort to various one-dimensional model systems.…
A unified theory is presented for finite-temperature many-body perturbation expansions of the anharmonic vibrational contributions to thermodynamic functions: the free energy, internal energy, and entropy. The theory is diagrammatically…
Functional Magnetic Resonance Imaging is a noninvasive tool for studying cerebral function. Many factors challenge activation detection, especially in low-signal scenarios that arise in the performance of high-level cognitive tasks. We…
We consider two cantilevered beams undergoing frictional impacts at the free end. The beams are designed to be of similar geometry so that they have distinct but close natural frequencies. Under harmonic base excitation near the primary…
The numerical simulation of weakly nonlinear ultrasound is important in treatment planning for focused ultrasound (FUS) therapies. However, the large domain sizes and generation of higher harmonics at the focus make these problems extremely…
We introduce a lattice dynamics package which calculates elastic, thermodynamic and thermal transport properties of crystalline materials from data on their force and potential energy as a function of atomic positions. The data can come…
We propose the first fractal frequency mapping, which in a simple form enables to replicate complex neuronal effects. Unlike the conventional filters, which suppress or amplify the input spectral components according to the filter weights,…
The behaviour of a vertically vibrated granular bed is reminiscent of a liquid in that it exhibits many phenomena such as convection and Faraday-like surface waves. However, when the lateral dimensions of the bed are confined such that a…
We demonstrate an efficient and accurate, general-purpose first-principles blueprint for calculating anharmonic vibrational free energy and predicting structural phase transition temperatures of solids. Thermodynamic integration is…