Modeling magnetic properties of cobalt nanofilms used as a component of spin hybrid superconductor–ferromagnetic structures

• Aleksey Fedotov,
• Olesya Severyukhina,
• Anastasia Salomatina and
• Anatolie Sidorenko

Beilstein J. Nanotechnol. 2025, 16, 1557–1566, doi:10.3762/bjnano.16.110

• thin films and the formation of Neel domain walls. Keywords: ferromagnetic properties; LAMMPS; mathematical modeling; MEAM; molecular dynamics; spin dynamics; Introduction Thin film structures [1][2] are increasingly employed each year in a wide range of applications, serving as functional [3][4

• : where UMEAM(r) is the force potential, the modified embedded atom method (MEAM) potential was used in this work; Hex(r) is the exchange interaction energy of spins; r = {r1,r2,…,rN} is the generalized variable showing the dependence on the whole set of radial vectors of atoms; κ,λ are viscous friction

• density. When describing the electron density, different types of electron clouds of the atoms under consideration are taken into account, and a sufficiently large set of potential parameters is involved, which makes MEAM sufficiently accurate and allows it to be used in solving a wide range of atomistic

Ultralow-energy amorphization of contaminated silicon samples investigated by molecular dynamics

• Grégoire R. N. Defoort-Levkov,
• Alan Bahm and
• Patrick Philipp

Beilstein J. Nanotechnol. 2023, 14, 834–849, doi:10.3762/bjnano.14.68

• greater than the range studied in this publication. Despite these differences, we could compare some of our results for two energies below the 500 eV threshold. More experimental data is provided in a paper from Wittmaack [48]. In the publication by Timonova et al. [43], the MEAM potential is used to

Transferability of interatomic potentials for silicene

• Marcin Maździarz

Beilstein J. Nanotechnol. 2023, 14, 574–585, doi:10.3762/bjnano.14.48

• single-layer silicon, polymorphs was examined. Structural and mechanical properties of flat, low-buckled, trigonal dumbbell, honeycomb dumbbell, and large honeycomb dumbbell silicene phases, were obtained using density functional theory and molecular statics calculations with Tersoff, MEAM, Stillinger

• potential fitted to the elastic constants of diamond silicon Tersoff2017 [35]: newer, better optimized the Tersoff potential for silicon MEAM2007 [36]: the semi-empirical interatomic potential for silicon based on the modified embedded atom method (MEAM) formalism MEAM2011 [37]: the spline-based modified

• embedded-atom method (MEAM) potential for Si fitted to silicon interstitials SW1985 [38]: the Stillinger–Weber (SW) potential fitted to solid and liquid forms of Si SW2014 [39]: the Stillinger–Weber (SW) potential fitted to phonon dispersion curves of a single-layer Si sheet EDIP [40]: the environment

Molecular dynamics modeling of the influence forming process parameters on the structure and morphology of a superconducting spin valve

• Alexander Vakhrushev,
• Aleksey Fedotov,
• Vladimir Boian,
• Roman Morari and
• Anatolie Sidorenko

Beilstein J. Nanotechnol. 2020, 11, 1776–1788, doi:10.3762/bjnano.11.160

• the nanosystem. There are many possible choices for the type of potential, but recently, due to its accuracy and adequacy, many-particle force fields have gained great popularity. In this work, we used the potential of the modified embedded-atom method (MEAM) which is based on density functional

• functional G(Γ) in Equation 4 can be defined in various ways. One of the most popular formulations is used here and is given as follows: The weight coefficients of the MEAM from Equation 4 also have an additive relationship with single-electron radial functions given as where are empirical parameters that

• depend on the chemical type of the element. Distance energy smoothing in MEAM is achieved by introducing a shielding function. Using the screening function, the attenuation of the potential occurs gradually, which allows one to provide a more physically accurate nanomaterial properties description and

Formation of metal/semiconductor Cu–Si composite nanostructures

• Natalya V. Yumozhapova,
• Andrey V. Nomoev,
• Vyacheslav V. Syzrantsev and
• Erzhena C. Khartaeva

Beilstein J. Nanotechnol. 2019, 10, 2497–2504, doi:10.3762/bjnano.10.240

• study, the simulation of thermal effects on CuSi nanoclusters was carried out using the modified immersion atom potentials (MEAM) [24]. For the numerical integration of the motion equations, the Verlet algorithm was used, and the time step was τ = 1 fs. The simulation was carried out in the LAMMPS