相关论文: Non-retarded room temperature Hamaker constants be…
We investigate a one-dimensional model that shows several properties of water. The model combines the long-range attraction of the van der Waals model with the nearest-neighbor interaction potential by Ben-Naim, which is a step potential…
We study the statistical properties of eigenvalues of the Hessian matrix ${\cal H}$ (matrix of second derivatives of the potential energy) for a classical atomic liquid, and compare these properties with predictions for random matrix models…
The damping coefficients for the alkali atoms are determined very accurately by taking into account the optical properties of the atoms and three distinct types of trapping materials such as Au (metal), Si (semi-conductor) and vitreous SiO2…
We introduce an approach for the accurate calculation of thermal properties of classical nanoclusters. Based on a recently developed enhanced sampling technique, replica exchange metadynamics, the method yields the true free energy of each…
In this work we devise a theoretical and computational method to compute the elastic scattering of electrons from a non-spherical potential, such as in the case of molecules and molecular aggregates. Its main feature is represented by the…
We consider the Dirichlet-Neumann iteration for partitioned simulation of thermal fluid-structure interaction, also called conjugate heat transfer. We analyze its convergence rate for two coupled fully discretized 1D linear heat equations…
It is shown that the temperature dependence of Langmuir constants contains all the information needed to determine spherically averaged intermolecular potentials. An analytical ``inversion'' method based on the standard statistical model of…
This paper establishes Lipschitz stability for the simultaneous recovery of a variable density coefficient and the initial displacement in a damped biharmonic wave equation. The data consist of the boundary Cauchy data for the Laplacian of…
It is known that ab initio molecular dynamics (AIMD) simulations of liquid water, based on the generalized gradient approximation (GGA) to density functional theory (DFT), yield structural and diffusive properties in reasonable agreement…
The van der Waals friction between two semi-infinite solids, and between a small neutral particle and semi-infinite solid is reconsidered on the basis of thermal quantum field theory in the Matsubara formulation. The calculation of the…
Wave propagation problems have many applications in physics and engineering, and the stochastic effects are important in accurately modeling them due to the uncertainty of the media. This paper considers and analyzes a fully discrete finite…
We derive expressions for the lowest nonlinear elastic constants of amorphous solids in athermal conditions (up to third order), in terms of the interaction potential between the constituent particles. The effect of these constants cannot…
It has been known that the Lifshitz theory of the Casimir force comes into conflict with the measurement data if the response of conduction electrons in metals to electromagnetic fluctuations is described by the well tested dissipative…
By using the canonical Hamiltonian method, we obtain the mass and entropy of the black holes with general dynamical coupling constant $\lambda$ in Ho\v{r} ava-Lifshitz Gravity. Regardless of whether the horizon is sphere, plane or…
A finite-element method dependant adjoint-based procedure to determine the temperature field of structures based on measured displacements or strains and a set of standard loads is developed and tested. Given a series of force and…
We develop a model to calculate nonlinear polarization in a nondegenerate four-wave mixing in diamond configuration which includes the effects of hyperfine structure and Doppler broadening. We verify the model against the experiment with…
Understanding the rich spatial and temporal structures in nonequilibrium thermal environments is a major subject of statistical mechanics. Because universal laws, based on an ensemble of systems, are mute on an individual system, exploring…
Framing the glass formation within standard statistical mechanics is an outstanding problem of condensed matter theory. To provide new insight, we investigate the structural properties of the Lennard-Jones fluid in the very-low temperature…
We study mixed finite element methods for the rotating shallow water equations with linearized momentum terms but nonlinear drag. By means of an equivalent second-order formulation, we prove long-time stability of the system without energy…
Despite widespread discussion, the role of van der Waals dispersion forces in wetting remains unclear. Here we show that non-local correlations contribute substantially to the water-metal bond and that this is an important factor in…