Related papers: New optimization scheme to obtain interaction pote…
Explicit simulations of fluid mixtures of highly size-dispersed particles are constrained by numerical challenges associated with identifying pair-interaction neighbors. Recent algorithmic developments have ameliorated these difficulties to…
Electron irradiation enables quantitative control over the plastic flow dynamics of silicate glasses, even far below the glass transition temperature. Through stress-relaxation experiments spanning ambient to near-glass-transition…
The central approximation made in classical molecular dynamics simulation of materials is the interatomic potential used to calculate the forces on the atoms. Great effort and ingenuity is required to construct viable functional forms and…
We introduce a three replica potential useful to examine the structure of metastables states above the static transition temperature, in the spherical p-spin model. Studying the minima of the potential we are able to find which is the…
We propose a novel formulation of elastic materials based on high-order interpolants, which fits accurately complex elastic behaviors, but remains conservative. The proposed high-order interpolants can be regarded as a high-dimensional…
Spatial light modulators are widely used to perform modulations of different properties of the electromagnetic field. In this work, a simple optimization method for general double-pass setups was developed. It takes into account the…
We compute the thermodynamic properties of the glass phase in a binary mixture of soft spheres. Our approach is a generalization to mixtures of the replica strategy, recently proposed by Mezard and Parisi, providing a first principle…
A new approach to combinatorial optimization based on systematic move-class deflation is proposed. The algorithm combines heuristics of genetic algorithms and simulated annealing, and is mainly entropy-driven. It is tested on two problems…
In this paper, a liquid lens-based imaging receiver is proposed for multiple-input multiple-output (MIMO) visible light communication (VLC) systems. By dynamically adjusting the focal length and orientation angles of the liquid lens, the…
Accelerated discovery in materials science demands autonomous systems capable of dynamically formulating and solving design problems. In this work, we introduce a novel framework that leverages Bayesian optimization over a problem…
The optimization of water distribution systems (WDSs) is vital to minimize energy costs required for their operations. A principal approach taken by researchers is identifying an optimal scheme for water pump controls through examining…
Using molecular dynamics computer simulations we investigate how in silica the glass transition and the properties of the resulting glass depend on the cooling rate with which the sample is cooled. By coupling the system to a heat bath with…
We present a new simulation method to calculate the free energy and the chemical potential of hard particle systems. The method relies on the introduction of a parameter dependent potential to smoothly transform between the hard particle…
The structure around oxygen atoms of four silicate liquids (silica, rhyolite, a model basalt and enstatite) is evaluated by ab initio molecular dynamics simulation. Thanks to the use of maximally localized Wannier orbitals to represent the…
This paper focuses on the modal analysis of laminated glass beams. In these multilayer elements, the stiff glass plates are connected by compliant interlayers with frequency/temperature-dependent behavior. The aim of our study is (i) to…
Quantum systems are powerful detectors with wide-ranging applications from scanning probe microscopy of materials to biomedical imaging. Nitrogen vacancy (NV) centers in diamond, for instance, can be operated as qubits for sensing of…
After a brief introduction to the dynamics of supercooled liquids, we discuss some of the advantages and drawbacks of computer simulations of such systems. Subsequently we present the results of computer simulations in which the dynamics of…
We examine the performance of various commonly used integration schemes in dissipative particle dynamics simulations. We consider this issue using three different model systems, which characterize a variety of different conditions often…
We present a new scheme to extract numerically ``optimal'' interatomic potentials from large amounts of data produced by first-principles calculations. The method is based on fitting the potential to ab initio atomic forces of many atomic…
High-purity glasses are used for their low optical and mechanical loss, which makes them an excellent material for oscillators in optical systems, such as inertial sensors. Complex geometries often require the assembly of multiple pieces of…