相关论文: The Seven Deadly Sins: when computing crystal nucl…

Crystal nucleation and growth processes induced by an externally applied shear strain in a model metallic glass are studied by means of nonequilibrium molecular dynamics simulations, in a range of temperatures. We observe that the…

Quantum phase estimation is one of the key algorithms in the field of quantum computing, but up until now, only approximate expressions have been derived for the probability of error. We revisit these derivations, and find that by ensuring…

The vast use of computers on scientific numerical computation makes the awareness of the limited precision that these machines are able to provide us an essential matter. A limited and insufficient precision allied to the truncation and…

This work investigates the mechanisms of crystal nucleation in metal melts, in dependence on the influence of their shape and volume. Investigations were conducted on both thin flat and bulk samples prepared of low-temperature Wood's metal…

For high- pressure nucleation experiments in upward diffusion cloud chamber, there is the great deviation of predictions of classical nucleation theory from experimental results; the discrepancy is more than 10 orders of magnitude of…

Over the past 40 years measurements of the nucleation rates in a large number of silicate glasses have indicated a breakdown in the widely used Classical Nucleation Theory (CNT) for temperatures below that of the peak nucleation rate. The…

Nucleation is considered near the pseudospinodal in a one-dimensional $\phi^4$ model with a non-conserved order parameter and long-range interactions. For a sufficiently large system or a system with slow relaxation to metastable…

Explosive nuclear burning in astrophysical environments produces unstable nuclei which again can be targets for subsequent reactions. In addition, it involves a large number of stable nuclides which are not fully explored by experiments,…

Nucleation phenomena commonly observed in our every day life are of fundamental, technological and societal importance in many areas, but some of their most intimate mechanisms remain however to be unraveled. Crystal nucleation, the early…

Electron captures on nuclei play an important role in the dynamics of the collapsing core of a massive star that leads to a supernova explosion. Recent calculations of these capture rates were based on microscopic models which account for…

Phase change materials are exploited in several enabling technologies such as storage class memories, neuromorphic devices and memories embedded in microcontrollers. A key functional property for these applications is the fast crystal…

Efficient heuristics have predicted many functional materials such as high-temperature superconducting hydrides, while inorganic structural chemistry explains why and how the crystal structures are stabilized. Here we develop the paired…

The effects of stochastic apppearence of embryos of a new phase are analyzed analytically. A new approach by the similarity of nucleation conditions is proposed. Corrections for a number of droplets are estimated. A comparison with…

Evaluated nuclear data uncertainties are often perceived as unrealistic, most often because they are thought to be too small. The impact of this issue in applied nuclear science has been discussed widely in recent years. Commonly suggested…

Finite size artifacts arise in molecular simulations of nucleation when critical nuclei are too close to their periodic images. A rigorous determination of what constitutes too close is, however, a major challenge. Recently, we devised…

Nucleosynthesis processes involve reactions on several thousand nuclei, both close to and far off stability. The preparation of reaction rates to be used in astrophysical investigations requires experimental and theoretical input. In this…

The astrophysical rapid neutron capture process or `$r$ process' of nucleosynthesis is believed to be responsible for the production of approximately half the heavy element abundances found in nature. This multifaceted problem remains one…

Nuclear masses play a fundamental role in understanding how the heaviest elements in the Universe are created in the $r$-process. We predict $r$-process nucleosynthesis yields using neutron capture and photodissociation rates that are based…

Atomic-level modeling performed at large scales enables the investigation of mesoscale materials properties with atom-by-atom resolution. The spatial complexity of such cross-scale simulations renders them unsuitable for simple human visual…

Accelerator-based neutrino oscillation experiments have the potential to revolutionise our understanding of fundamental physics, offering an opportunity to characterise charge-parity violation in the lepton sector; to determine the neutrino…