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

In this article we investigated surface of nanocrystals (NC) of uranium dioxide (UO2) using molecular dynamics (MD) under isolated (non-periodic) boundary conditions with the approximation of pair potentials and rigid ions. It is shown that…

Molecular dynamics simulations of frictional sliding in an Atomic Force Microscope (AFM) show a clear dependence of superlubricity between incommensurate surfaces on tip compliance and applied normal force. While the kinetic friction…

Mesoscale phenomena -- involving a level of description between the finest atomistic scale and the macroscopic continuum -- can be studied by a variation on the usual atomistic-level molecular dynamics (MD) simulation technique. In…

Surface electric noise, i.e., the non-uniform distribution of charges and potentials on a surface, poses a great experimental challenge in modern precision force measurements. Such a challenge is encountered in a number of different…

While offering unprecedented resolution of atomic and electronic structure, Scanning Probe Microscopy techniques have found greater challenges in providing reliable electrostatic characterization at the same scale. In this work, we…

We present a formula for the spectroscopically accessible level shifts and decay rates of an atom moving at an arbitrary angle relative to a surface. Our Markov formulation leads to an intuitive analytic description whereby the shifts and…

Background forces are linear long-range interactions of the cantilever body with its surroundings that must be compensated for in order to reveal tip-surface force, the quantity of interest for determining material properties in atomic…

Molecular Dynamics simulations are becoming a powerful tool for examining and predicting atomic and molecular processes in various environment. The present review shows how, in the fields of plasma physics, chemistry and interactions with…

Molecular dynamics simulations have a prominent role in biophysics and drug discovery due to the atomistic information they provide on the structure, energetics and dynamics of biomolecules. Specialized software packages are required to…

Coherent light pulses of few to hundreds of femtoseconds (fs) duration have prolifically served the field of ultrafast phenomena. While fs pulses address mainly dynamics of nuclear motion in molecules or lattices in the gas, liquid or…

We report theoretical results predicting the atomic manipulation of a silver atom on a Si(001) surface by a scanning probe tip, and providing insight into the manipulation phenomena. A molecular mechanics technique has been used, the system…

A tutorial introduction to the technique of Molecular Dynamics (MD) is given, and some characteristic examples of applications are described. The purpose and scope of these simulations and the relation to other simulation methods is…

We review the new possibilities offered by the reaction dynamics of asymmetric heavy ion collisions, using stable and unstable beams. We show that it represents a rather unique tool to probe regions of highly Asymmetric Nuclear Matter…

Molecular dynamics (MD) is a widely-used tool for simulating the molecular and materials properties. It is a common wisdom that molecular dynamics simulations should obey physical laws and, hence, lots of effort is put into ensuring that…

Atomic force microscopy is an important tool for characterizing surface acoustic waves, in particular for high frequencies, where the wavelength is too short to be resolved by laser interferometry. A caveat is, that the cantilever…

Ultracold molecules undergo "sticky collisions" that result in loss even for chemically nonreactive molecules. Sticking times can be enhanced by orders of magnitude by interactions that lead to non-conservation of nuclear spin or total…

Realistic nucleon-nucleon (NN) interactions, derived within the framework of meson theory or more recently in terms of chiral effective field theory, yield new possibilities for achieving a unified microscopic description of atomic nuclei.…

Surface phenomena are increasingly becoming important in exploring nanoscale materials growth and characterization. Consequently, the need for atomistic based simulations is increasing. Nevertheless, relying entirely on quantum mechanical…

Molecular dynamics simulations of myoglobin and aspartate aminotransferase, with explicit solvent, are shown to accurately reproduce the experimentally measured molar volumes. Single amino-acid substitution at VAL39 of aspartate…

In this manuscript, we undertake an examination of a classical plasma deployed on two finite co-planar surfaces: a circular region $\Omega_{in}$ into an annular region $\Omega_{out}$ with a gap in between. It is studied both from the point…