相关论文: Screened empirical bond-order potentials for Si-C

An approach is outline to constructing an optical potential that includes the effects of antisymmetry and target recoil. it is based on the retarded Green's function, which could make it a better starting point for applications to direct…

We approximate given potentials by means of the specially introduced reference potentials. On the one hand their parameters may be easily found from the usual WKB integral for the given potential; on the other hand they allow a simple…

We analyse the temporal properties of the optical pulse wave that is obtained by applying a set of spectral $\pi/2$ phase shifts to continuous-wave light that is phase-modulated by a temporal sinusoidal wave. We develop an analytical model…

We simulate crystallisation of hard spheres with short-ranged attractive potentials, as a model self-assembling system. We show how measurements of correlation and response functions during assembly can be used to tune the interaction…

Electron correlation effects are essential for an accurate ab initio description of molecules. A quantitative a priori knowledge of the single- or multi-reference nature of electronic structures as well as of the dominant contributions to…

The molecular dynamics method is applied to simulate the recrystallization of an amorphous/crystalline silicon interface. The atomic structure of the amorphous material is constructed with the method of Wooten, Winer, and Weaire. The…

We propose a new class of photonic devices based on periodic stress fields in silicon that enable second-order nonlinearity as well as quasi-phase matching. Periodically-poled silicon (PePSi) adds the periodic poling capability to silicon…

Herein, we describe new methods to produce colloidal particle chains of three stiffness regimes that can be observed on a single-particle level, that is, on the level of the monomers that make up the chain; the chains can even be observed…

We perform a quark model calculation of the quarkonia $b\overline{b}$ and $c\overline{c}$ spectra using smooth and sudden string breaking potentials. The screening parameter is scale dependent and can be related to an effective running…

We present a coarse-grained C$\alpha$-based protein model that can be used to simulate structured, intrinsically disordered and partially disordered proteins. We use a Go-like potential for the structured parts and two different variants of…

Atomic force microscopes have proved to be fundamental research tools in many situations where a gentle imaging process is required, and in a variety of environmental conditions, such as the study of biological samples. Among the possible…

This paper proposes that elastic potentials, which may be rigorously formulated using the negative Gibbs free energy or the complementary strain energy density, should be used as the basis for the plastic part of elasto-plastic constitutive…

Smectic order has been generated in superconducting Nb films with two-fold symmetry arrays of symmetric pinning centers. Magnetic fields applied perpendicularly to the films develop a vortex matter smectic phase that is easily detected when…

Confidence intervals (CIs) are instrumental in statistical analysis, providing a range estimate of the parameters. In modern statistics, selective inference is common, where only certain parameters are highlighted. However, this selective…

In effective field theory physical quantities, in particular observables, are expressed as a power series in terms of a small expansion parameter. For non-perturbative systems, for instance nuclear physics, this requires the…

Interatomic potentials provide a means to simulate extended length and time scales that are outside the reach of ab initio calculations. The development of an interatomic potential for a particular material requires the optimization of the…

The simulation of borosilicate glasses is challenging due to the composition and temperature dependent coordination state of boron atoms. Here, we present a newly developed machine learning optimized classical potential for molecular…

We have developed a suite of infrared-blocking filters made by embedding diamond scattering particles in a polyimide aerogel substrate. We demonstrate the ability to tune the spectral performance of the filters based on both the composition…

We use inverse methods of statistical mechanics to explore trade-offs associated with designing interactions to stabilize self-assembled structures against changes in density or temperature. Specifically, we find isotropic,convex-repulsive…

To quantify uncertainty around point estimates of conditional objects such as conditional means or variances, parameter uncertainty has to be taken into account. Attempts to incorporate parameter uncertainty are typically based on the…