Frontiers, challenges, and solutions in modeling of swift heavy ion effects in materials

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389021%3A_____%2F23%3A00583132" target="_blank" >RIV/61389021:_____/23:00583132 - isvavai.cz</a>

Alternative codes found

RIV/68378271:_____/23:00570800

Result on the web

<a href="https://pubs.aip.org/aip/jap/article/133/10/100701/2879132/Frontiers-challenges-and-solutions-in-modeling-of" target="_blank" >https://pubs.aip.org/aip/jap/article/133/10/100701/2879132/Frontiers-challenges-and-solutions-in-modeling-of</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1063/5.0128774" target="_blank" >10.1063/5.0128774</a>

Result language

angličtina

Original language name

Frontiers, challenges, and solutions in modeling of swift heavy ion effects in materials

Original language description

Since a few breakthroughs in the fundamental understanding of the effects of swift heavy ions (SHIs) decelerating in the electronic stopping regime in the matter have been achieved in the last decade, it motivated us to review the state-of-the-art approaches in the modeling of SHI effects. The SHI track kinetics occurs via several well-separated stages and spans many orders of magnitude in time: from attoseconds in ion-impact ionization depositing an extreme amount of energy in a target to femtoseconds of electron transport and hole cascades, to picoseconds of lattice excitation and response, to nanoseconds of atomic relaxation, and even longer times of the final macroscopic reaction. Each stage requires its own approaches for quantitative description. We discuss that understanding the links between the stages makes it possible to describe the entire track kinetics within a hybrid multiscale model without fitting procedures. The review focuses on the underlying physical mechanisms of each process, the dominant effects they produce, and the limitations of the existing approaches, as well as various numerical techniques implementing these models. It provides an overview of the ab initio-based modeling of the evolution of the electronic properties, Monte Carlo simulations of nonequilibrium electronic transport, molecular dynamics modeling of atomic reaction including phase transformations and damage on the surface and in the bulk, kinetic Mote Carlo of atomic defect kinetics, and finite-difference methods of track interaction with chemical solvents describing etching kinetics. We outline the modern methods that couple these approaches into multiscale and combined multidisciplinary models and point to their bottlenecks, strengths, and weaknesses. The analysis is accompanied by examples of important results, improving the understanding of track formation in various materials. Summarizing the most recent advances in the field of the track formation process, the review delivers a comprehensive picture and detailed understanding of the phenomenon. Important future directions of research and model development are also outlined.

Czech name

—

Czech description

—

Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

10305 - Fluids and plasma physics (including surface physics)

Project

Result was created during the realization of more than one project. More information in the Projects tab.

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2023

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Journal of Applied Physics

ISSN

0021-8979

e-ISSN

1089-7550

Volume of the periodical

133

Issue of the periodical within the volume

10

Country of publishing house

US - UNITED STATES

Number of pages

58

Pages from-to

100701

UT code for WoS article

000949019000003

EID of the result in the Scopus database

2-s2.0-85150191857