Related papers: Hexagonal ice density dependence on inter atomic d…

We employ classical molecular dynamics simulations to investigate the molecular-level structure of water during the isothermal compression of hexagonal ice (I$h$) and low-density amorphous (LDA) ice at low temperatures. In both cases, the…

High energy heavy-ion collisions are proposed as a novel means to constrain stringently the high density (HD) behaviour of nuclear symmetry energy. Within an isospin-dependent hadronic transport model, it is shown for the first time that…

The foundation of the local energy-density functional method to describe the nuclear ground-state properties is given. The method is used to investigate differential observables such as the odd-even mass differences and odd-even effects in…

We present a general multi-component density functional theory in which electrons and nuclei are treated completely quantum mechanically, without the use of a Born-Oppenheimer approximation. The two fundamental quantities in terms of which…

Reactive chemistry of molecular hydrogen at surfaces, notably dissociative sticking and hydrogen evolution, plays a crucial role in energy storage and fuel cells. Theoretical studies can help to decipher underlying mechanisms and reaction…

Background: The tensor interaction is known to play an important role in the nuclear structure studies of exotic nuclei. However, most microscopic studies of low-energy nuclear reactions neglect the tensor force, resulting in a lack of…

Machine learning is employed to build an energy density functional for self-bound nuclear systems for the first time. By learning the kinetic energy as a functional of the nucleon density alone, a robust and accurate orbital-free density…

We investigate heterogeneous and homogeneous nucleation in nearest-neighbor and long-range Ising models for various quench depths. We find that the system has a true crossover from heterogeneous to homogeneous nucleation for increasing…

In heavy-ion collisions at intermediate energies, the production and propagation of $\Delta$ particles are crucial to understanding the nuclear equation of state and inferring the properties of nuclear matter at high densities. Based on the…

Nuclear density functional theory is the prevalent theoretical framework for accurately describing nuclear properties at the scale of the entire chart of nuclides. Given an energy functional and a many-body scheme (e.g., single- or…

The supra-molecular structure of a liquid is strongly connected to its dynamics which in turn controls macroscopic properties such as viscosity. Consequently, detailed knowledge about how this structure changes with temperature is essential…

Past experiments about hydrogen absorption in niobium have revealed specific properties about interactions between interstitial hydrogen atoms. It has been reported that there are long-range attractive and short-range repulsive interactions…

We study the initial stages of homogeneous melting of a hexagonal ice crystal at coexistence and at moderate superheating. Our trajectory-based computer simulation approach provides a comprehensive picture of the events that lead to…

Density-functional theory is a formally exact description of a many-body quantum system in terms of its density; in practice, however, approximations to the universal density functional are required. In this work, a model based on deep…

The rotating nuclei represent one of most interesting subjects for theoretical and experimental studies. They open a new dimension of nuclear landscape, namely, spin direction. Contrary to the majority of nuclear systems, their properties…

Recent high precision experimental data for heavy-ion fusion cross sections at energies in the vicinity of the Coulomb barrier systematically show that a strikingly large surface diffuseness parameter for a Woods-Saxon potential is required…

The presence of methanol among the common ice components in interstellar clouds and protostellar envelopes has been confirmed by the James Webb Space Telescope. Methanol is often detected in the gas phase toward lines of sight shielded from…

We study if commonly used nucleon-nucleon effective interactions, obtained from fitting the properties of cold nuclear matter and of finite nuclei, can properly describe the hot dense nuclear matter produced in intermediate-energy heavy-ion…

The density functional theory of nuclear structure provides a many-particle wave function that is useful for static properties, but an extension of the theory is necessary to describe correlation effects or other dynamic properties. Here we…

Water (H2O) ice is an important solid constituent of many astrophysical environments. To comprehend the role of such ices in the chemistry and evolution of dense molecular clouds and comets, it is necessary to understand the freeze-out,…