English
Related papers

Related papers: The Seven Deadly Sins: when computing crystal nucl…

200 papers

Nucleation processes, through which a new structure progressively forms within a pre-existing homogeneous phase, are fundamental in materials science, but are also typically non-trivial to elucidate. Cases in which to nucleate are defects…

Materials Science · Physics 2025-05-05 Mattia Perrone , David D. Girardier , Giovanni M. Pavan , Fabio Pietrucci

Classical nucleation theory is used to estimate the free-energy barrier to nucleation of the solid phase of particles interacting via a potential which has a short-ranged attraction. Due to the high interfacial tension between the fluid and…

Soft Condensed Matter · Physics 2009-10-31 Richard P. Sear

Propagating nuclear uncertainties to nucleosynthesis simulations is key to understand the impact of theoretical uncertainties on the predictions, especially for processes far from the stability region, where nuclear properties are scarcely…

Solar and Stellar Astrophysics · Physics 2025-10-06 S. Martinet , G. Goriely , A. Choplin , L. Siess

Simulations of r-process nucleosynthesis require nuclear physics information for thousands of neutron-rich nuclear species from the line of stability to the neutron drip line. While arguably the most important pieces of nuclear data for the…

Nuclear Theory · Physics 2017-08-23 R. Surman , M. Mumpower , G. C. McLaughlin , R. Sinclair , W. R. Hix , K. L. Jones

Nucleation, the birth of a stable cluster from disorder, is inherently stochastic. Yet up to date, there are no quantitative studies on NaCl nucleation that accounts for its stochastic nature. Here, we report the first stochastic treatment…

Nucleosynthesis in Type I X-ray bursts may involve up to several thousand nuclear processes. The majority of these processes have only been determined theoretically due to the lack of sufficient experimental information. Accurate reaction…

Astrophysics · Physics 2009-11-13 A. Parikh , J. Jose , C. Iliadis , F. Moreno , T. Rauscher

The nucleation of crystals is a prominent phenomenon in science and technology that still lacks a full atomic-scale understanding. Much work has been devoted to identifying order parameters able to track the process, from the inception of…

Computational Physics · Physics 2023-02-08 Julien Lam , Fabio Pietrucci

Nuclear masses are one of the key ingredients of nuclear physics that go into astrophysical simulations of the $r$ process. Nuclear masses effect $r$-process abundances by entering into calculations of Q-values, neutron capture rates,…

Nuclear Theory · Physics 2014-11-17 M. Mumpower , R. Surman , M. Beard , D. -L. Fang , A. Aprahamian

Atomistic simulations based on the first-principles of quantum mechanics are reaching unprecedented length scales. This progress is due to the growth in computational power allied with the development of new methodologies that allow the…

Materials Science · Physics 2021-05-19 Mariana Rossi

Tunneling half lives are obtained in a minimalistic deformation picture of nuclear decays. As widely documented in other deformation models, one finds that the effective mass of the nucleus changes with the deformation parameter. However,…

Nuclear Theory · Physics 2024-08-28 Samyak Jain , A. Bhagwat

We present an experiment on crystallization of packings of macroscopic granular spheres. This system is often considered to be a model for thermally driven atomic or colloidal systems. Cyclically shearing a packing of frictional spheres, we…

Soft Condensed Matter · Physics 2018-02-07 Frank Rietz , Charles Radin , Harry L. Swinney , Matthias Schröter

Nucleosynthesis calculations require nuclear level densities for hundreds or even thousands of nuclides. Ideally one would like to constrain these level densities by microscopically motivated yet computationally cheap models. A statistical…

Nuclear Theory · Physics 2007-05-23 Jameel-Un Nabi , Calvin W. Johnson , W. Erich Ormand

The phenomenon of solidification of a substance from its liquid phase is of the greatest practical and theoretical importance, and atomistic simulations can provide precious information towards its understanding and control. Unfortunately,…

Soft Condensed Matter · Physics 2021-03-25 Tarak Karmakar , Michele Invernizzi , Valerio Rizzi , Michele Parrinello

In cosmology numerical simulations of structure formation are now of central importance, as they are the sole instrument for providing detailed predictions of current cosmological models for a whole class of important constraining…

Statistical Mechanics · Physics 2009-11-13 Michael Joyce

Charged colloidal particles - both on the nano and micron scales - have been instrumental in enhancing our understanding of both atomic and colloidal crystals. These systems can be straightforwardly realized in the lab, and tuned to…

Soft Condensed Matter · Physics 2021-05-05 Rinske M. Alkemade , Marjolein de Jager , Berend van der Meer , Frank Smallenburg , Laura Filion

It is imperative that useful quantum computers be very difficult to simulate classically; otherwise classical computers could be used for the applications envisioned for the quantum ones. Perfect quantum computers are unarguably…

Quantum Physics · Physics 2020-11-26 Yiqing Zhou , E. Miles Stoudenmire , Xavier Waintal

We investigate a phase-field-crystal model for homogeneous nucleation. Instead of solving the time evolution of a density field towards equilibrium we use a String Method to identify saddle points in phase space. The saddle points allow to…

Statistical Mechanics · Physics 2014-07-04 Rainer Backofen , Axel Voigt

The use of quantality is discussed in the case of nuclei and other many-body systems such as atomic electrons. This dimensionless quantity is known to indicate when a many-body system behaves like a crystal or a quantum liquid. Its role is…

Nuclear Theory · Physics 2024-09-25 J. -P. Ebran , L. Heitz , E. Khan

Using state-of-the-art rare-event sampling simulations, we precisely characterize the nucleation of liquid droplets from a supersaturated Lennard-Jones gas and uncover a key physical feature: critical clusters nucleate with a density that…

Chemical Physics · Physics 2026-01-07 Yijian Wu , Thomas Philippe , Aymane Graini , Julien Lam

Molecular crystals play a central role in a wide range of scientific fields, including pharmaceuticals and organic semiconductor devices. However, they are challenging systems to model accurately with computational approaches because of a…

Materials Science · Physics 2025-01-08 Flaviano Della Pia , Andrea Zen , Dario Alfè , Angelos Michaelides