相关论文: Molecular Dynamics Simulations of Dynamic Force Mi…

In the last decade, detecting spin dynamics at the atomic scale has been enabled by combining techniques like electron spin resonance (ESR) or pump-probe spectroscopy with scanning tunneling microscopy (STM). Here, we demonstrate an…

Molecular Dynamic (MD) approach is applied to study the converging cylindrical shock waves in a dense Lennard-Jones (LJ) fluid. MD method is based on tracking of the atom motions and hence it has an fundamental advantages over hydrodynamic…

Molecular dynamics simulates the~movements of atoms. Due to its high cost, many methods have been developed to "push the~simulation forward". One of them, metadynamics, can hasten the~molecular dynamics with the~help of variables describing…

Miniaturized mechanical resonators have proven to be excellent force sensors. However, they usually rely on resonant sensing schemes, and their excellent performance cannot be utilized for the detection of static forces. Here, we report on…

Accurate simulations of molecules require high-level electronic-structure theory in combination with rigorous methods for approximating the quantum dynamics. Machine-learning approaches can significantly reduce the computational expense of…

Atomic Force Microscope images of a crack intersecting the free surface of a glass specimen are taken at different stages of subcritical propagation. From the analysis of image pairs, it is shown that a novel Integrated Digital Image…

We consider an oscillator model to describe qualitatively friction force for an atomic force mi-croscope (AFM) tip driven on a surface described by periodic potential. It is shown that average value of the friction force could be controlled…

Small oscillation amplitudes in dynamic atomic force microscopy can lead to invasive and high resolution imaging. Here we discuss small oscillation amplitude imaging in the context of ambient conditions and simultaneously excite the second…

There is a growing interest since the 1990s to understand the squeezing and shear behaviors of liquid films at nanometer scale by the atomic force microscope (AFM) measurement. We carry out all-atom contact-mode AFM simulations in a…

Using molecular dynamics (MD) simulation, we investigate the mechanical response of silicon to high dose ion-irradiation. We employ a realistic and efficient model to directly simulate ion beam induced amorphization. Structural properties…

The powerful molecular dynamics (MD) simulation is basically based on a picture that the atoms experience classical-like trajectories under the exertion of classical force field determined by the quantum mechanically solved electronic…

Classical empirical force fields have dominated biomolecular simulation for over 50 years. Although widely used in drug discovery, crystal structure prediction, and biomolecular dynamics, they generally lack the accuracy and transferability…

Recent advances in mechanical-diode based ultrasonic force microscopy techniques are reviewed. The potential of Ultrasonic Force Microscopy (UFM) for the study of material elastic properties is explained in detail. Advantages of the…

Frequency-modulation atomic force microscopy provides an outstanding precision of the measurement of chemical bonding forces. However, as the cantilever oscillates with an amplitude A that is usually on the order of atomic dimensions or…

Magnetic force microscopy (MFM) allows one to image the domain structure of ferromagnetic samples by probing the dipole forces between a magnetic probe tip and a magnetic sample. The magnetic domain structure of the sample depends on the…

Atomic scale simulations are a key element of modern science in that they allow to understand, and even predict, complex physical or chemical phenomena on the basis of the fundamental laws of nature. Among the different existing atomic…

Molecular dynamics simulations are an important tool for describing the evolution of a chemical system with time. However, these simulations are inherently held back either by the prohibitive cost of accurate electronic structure theory…

We have adapted classical molecular dynamics to study the structural and dynamical properties of amorphous silica surfaces. Concerning the structure, the density profile exhibits oscillations perpendicularly to the surface as observed in…

Molecular dynamics (MD) simulations of successive collision cascades within the same simulation domain were performed using two different inter-atomic potentials (IAP) in tungsten, one EAM based and the other a `quantum accurate' machine…

The aim of this article is to provide a complete analysis of the behavior of a noncontact atomic force microscope (NC-AFM). We start with a review of the equations of motion of a tip interacting with a surface in which the stability…