相关论文: A Correlation Method for Deriving UA Intra-Molecul…
The multivariate tool of Principal Component Analysis (PCA) is applied to 23 fields in the FCRAO CO Survey of the Outer Galaxy. PCA enables the identification of line profile differences which are assumed to be generated from fluctuations…
Using a scanning tunnel microscope or mechanically controlled break junctions, atomic contacts of Au, Pt and Ir are pulled to form chains of atoms. We have recorded traces of conductance during the pulling process and averaged these for a…
We present fully atomistic Molecular Dynamics simulation results on a main-chain polymer, 1,4-Polybutadiene, in the merging region of the $\alpha$- and $beta$-relaxations. A real space analysis reveals the occurrence of localized motions…
We propose a new model for description of electrons beam dynamics in Free Electron Laser (FEL) undulator, based on the method of linear time-dependent invariants of quantum-mechanical charge particle. The magnetic field has periodic…
Atomic partial charges appear in the Coulomb term of many force-field models and can be derived from electronic structure calculations with a myriad of atoms-in-molecules (AIM) methods. More advanced models have also been proposed, using…
We present a model of systems of cells with intracellular oscillators (`clocks'). This is motivated by examples from developmental biology and from the behavior of organisms on the threshold to multicellularity. Cells undergo random motion…
We study correlations on the euclidean spacetimes generated in Monte Carlo simulations of the model. In the elongated phase, curvature correlations appear to fall off like a fractional power. Near the transition to the crumpled phase this…
The model of coupled oscillators plays an important role in modern physics. It is used for description of various processes: from vibrations atoms in solid states to electromagnetic oscillations in slow-wave structures. The model with…
Universal machine-learning interatomic potentials (uMLIPs) enable reactive molecular simulations with near-DFT accuracy, yet applying them efficiently to large, realistic condensed-phase systems remains computationally demanding. Here we…
In this short note we investigate the ultra-relativistic collisions of small amplitude oscillons in 1+1 dimensions. Using the amplitude of the oscillons and the inverse relativistic boost factor $\gamma^{-1}$ as the perturbation variables,…
Oscillators are ubiquitous in nature, and usually associated with the existence of an asymptotic phase that governs the long-term dynamics of the oscillator. % We show that asymptotic phase can be estimated using a carefully chosen series…
We present a force-biased Monte Carlo (FMC) method for structural modeling of transition metal clusters of Fe, Ni, and Cu with 5 to 60 atoms. By employing the Finnis-Sinclair potential for Fe and the Sutton-Chen potential for Ni and Cu, the…
This work constructs an advanced force field, the Completely Multipolar Model (CMM), to quantitatively reproduce each term of an energy decomposition analysis (EDA) for aqueous solvated alkali metal cations and halide anions and their ion…
Combining gravity with quantum mechanics remains one of the biggest challenges of physics. In the past years, experiments with opto-mechanical systems have been proposed that may give indirect clues about the quantum nature of gravity. In a…
Recent developments of microscopic mechanical experiments allow the manipulation of individual polymer molecules in two main ways: \textit{uniform} stretching by external forces and \textit{non-uniform} stretching by external fields. Many…
Torque is ubiquitous in many molecular systems, including collisions, chemical reactions, vibrations, electronic excitations and especially rotor molecules. We present a straightforward theoretical method based on forces acting on atoms and…
An interferometric technique is proposed for determining the spatial forms of the individual degrees of freedom through which a many body system can absorb energy from its environment. The method separates out the coherent excitations…
It is shown that the atom-molecule collision problem in the presence of an external electric field can be solved using the total angular momentum representation in the body-fixed coordinated frame, leading to a computationally efficient…
New families of time-dependent potentials related to the parametric oscillator are introduced. This is achieved by introducing some general time-dependent operators that factorize the appropriate constant of motion (quantum invariant) of…
We study all known and as yet unknown forces between two neutral atoms, modeled as three dimensional harmonic oscillators, arising from mutual influences mediated by an electromagnetic field but not from their direct interactions. We allow…