相关论文: New interaction potentials for borate glasses with…
Systems of particles interacting via inverse-power law potentials have an invariance with respect to changes in length and temperature, implying a correspondence in the dynamics and thermodynamics between different `isomorphic' sets of…
We show numerically that a three-dimensional model for structural glass displays aging, rejuvenation and memory effects when submitted to a temperature cycle. These effects indicate that the free energy landscape of structural glasses may…
The electronic structures of the manifold of potential energy surfaces generated in the lower energy range by the interaction of the MgH$^+$(X$^1\Sigma^+$) cationic molecule with Rb($^2$S), neutral atom are obtained over a broad range of…
The reconfigurable intelligent surface (RIS) technology has attracted interest due to its promising coverage and spectral efficiency features. However, some challenges need to be addressed to realize this technology in practice. One of the…
We extend the model of exciton-plasmon materials to include a ro-vibrational structure of molecules using wave-packet propagations on electronic potential energy surfaces. The new model replaces conventional two-level emitters with more…
The continuous development of synchrotron-based experimental techniques in the X-ray range provides new possibilities to probe the structure and the dynamics of bulk materials down to inter-atomic distances. However, the interaction of…
We examine the favoured cluster structures for two new potentials, which both behave as monatomic model glass-formers in bulk. We find that the oscillations in the interatomic potential lead to global minima that are non-compact…
In this work, we present web scraping techniques to extract in- formation from patent tables, clean and structure them for future use in predictive machine learning models to develop new glasses. We extracted compositions and three…
Artificial neural network potentials (NNPs) have emerged as effective tools for understanding atomic interactions at the atomic scale in various phenomena. Recently, we developed highly transferable NNPs for {\alpha}-iron and…
An interatomic potential for Al-Tb alloy around the composition of Al90Tb10 was developed using the deep neural network (DNN) learning method. The atomic configurations and the corresponding total potential energies and forces on each atom…
We investigate effective interactions between a colloidal particle, immersed in a binary mixture of smaller spheres, and a semipermeable membrane. The colloid is modeled as a big hard sphere and the membrane is represented as an infinitely…
Equilibrium Bose-Einstein condensation of exciton-polaritons, demonstrated with a long-lifetime microcavity [Phys. Rev. Lett. 118, 016602 (2017)], has proven that driven-dissipative systems can undergo thermodynamic phase transitions in the…
A universality ansatz for the contact values of a multicomponent mixture of additive hard spheres is used to propose new formulae for the case of disparate-size binary mixtures. A comparison with simulation data and with a recent proposal…
The possibilities of the extraction and collimation of a circulating beam by a new method due to the reflection of particles in crystals with axial orientation were experimentally investigated in the Fall-2010 run at the U_70 synchrotron.…
We investigate the quantum phases of monodispersed bosonic gases confined to a triangular lattice and interacting via a class of soft-shoulder potentials. The latter correspond to soft-core potentials with an additional hard-core onsite…
Active glassy matter has recently emerged as a novel class of non-equilibrium soft matter, combining energy-driven, active particle movement with dense and disordered glass-like behavior. Here we review the state-of-the-art in this field…
We present a program called potfit which generates an effective atomic interaction potential by matching it to a set of reference data computed in first-principles calculations. It thus allows to perform large-scale atomistic simulations of…
Sintering of alumina nanoparticles is of interest both from the view of fundamental research as well as for industrial applications. Atomistic simulations are tailor-made for understanding and predicting the time- and temperature-dependent…
By performing molecular dynamics simulations of binary Lennard-Jones systems with three different potentials, we show that increase of anharmonicity and capacity for intermolecular coupling of the potential is the cause of (i) the increase…
A new interlayer force-field for layered hexagonal boron nitride (h-BN) based structures is presented. The force-field contains three terms representing the interlayer attraction due to dispersive interactions, repulsion due to anisotropic…