相关论文: Long range correction for multi-site Lennard-Jones…
We reaccess the droplet condensation-evaporation transition of a three-dimensional Lennard-Jones system upon a temperature change. With the help of parallel multicanonical simulations we obtain precise estimates of the transition…
Liquids displaying strong virial-potential energy correlations conform to an approximate density scaling of their structural and dynamical observables. This scaling property does not extend to the entire phase diagram, in general. The…
The dual continuum model serves as a powerful tool in the modeling of subsurface applications. It allows a systematic coupling of various components of the solutions. The system is of multiscale nature as it involves high heterogeneous and…
The search for Earth-like exoplanets requires high-contrast and high-angular resolution instruments, which designs can be very complex: they need an adaptive optics system to compensate for the effect of the atmospheric turbulence on image…
Model instability and poor prediction of long-term behavior are common problems when modeling dynamical systems using nonlinear "black-box" techniques. Direct optimization of the long-term predictions, often called simulation error…
This study proposes a high-order multi-scale method tailored for time-dependent nonlinear thermo-electro-mechanical coupling problems of composite structures with highly spatial heterogeneity, which incorporate temperature-dependent…
Challenges inherent to high-resolution and high signal-to-noise data as well as model degeneracies can cause systematic biases in analyses of strong lens systems. In the past decade, the number of lens modeling methods has significantly…
We consider the decoupling theory of a broad class of $C^5$ surfaces $\mathbb{M} \subset \mathbb{R}^3$ lacking planar points. In particular, our approach also applies to surfaces which are not graphed by mixed homogeneous polynomials. The…
We present a coarse-grained lattice model of solvation thermodynamics and the hydrophobic effect that implements the ideas of Lum-Chandler-Weeks (LCW) theory [J. Phys. Chem. B 103, 4570 (1999)] and improves upon previous lattice models…
Exemplar-based video colorization is an essential technique for applications like old movie restoration. Although recent methods perform well in still scenes or scenes with regular movement, they always lack robustness in moving scenes due…
A fast, parallel algorithm for distant-dependent calculation and simulation of crystal properties is presented along with speedup results and methods of application. An illustrative example is used to compute the Lennard-Jones lattice…
We show that spherical truncations of the 1/r interactions in models for water and acetonitrile yield very accurate results in bulk simulations for all site-site pair correlation functions as well as dipole-dipole correlation functions.…
Monte Carlo simulation studies are performed for the Lennard-Jones like two Yukawa (LJ2Y) potential to show how properties of this model fluid depend on the replacement of the soft repulsion by the hard-core repulsion. Different distances…
Multi-level numerical methods that obtain the exact solution of a linear system are presented. The methods are devised by combining ideas from the full multi-grid algorithm and perfect reconstruction filters. The problem is stated as…
For filter-based magnetographs, the linear calibration method under the weak-field assumption is usually adopted; this leads to magnetic saturation effect in the regions with strong magnetic field. This article explores a new method to…
In this paper, we propose offline and online adaptive enrichment algorithms for the generalized multiscale approximation of a mixed finite element method with velocity elimination to solve the subsurface flow problem in high-contrast and…
We introduce a dilated coordinate method to address computational challenges in nuclear lattice effective field theory (NLEFT) for weakly-bound few-body systems. The approach employs adaptive mesh refinement via analytic coordinate…
The analysis of Lax-Wendroff (LW) method is performed by the generic modified differential equation (MDE) approach in the spectral plane using Fourier transform. In this approach, the concept of dispersion relation plays a major role…
We study two different versions of the site-diluted Ising model in three dimensions with long-range spatially correlated disorder by Monte Carlo means. We use finite-size scaling techniques to compute the critical exponents of these…
In this study, we incorporate configuration mapping between simulation ensembles into the successive interpolation of multistate reweighting (SIMR) method in order to increase phase space overlap between neighboring simulation ensembles.…