In situ transport characterization of magnetic states in Nb/Co superconductor/ferromagnet heterostructures

• Olena M. Kapran,
• Roman Morari,
• Taras Golod,
• Evgenii A. Borodianskyi,
• Vladimir Boian,
• Andrei Prepelita,
• Nikolay Klenov,
• Anatoli S. Sidorenko and
• Vladimir M. Krasnov

Beilstein J. Nanotechnol. 2021, 12, 913–923, doi:10.3762/bjnano.12.68

• is caused by subtractive (in the AP state) and additive (in the P state) influences of ferromagnetic exchange fields from neighbor F-layers, which are detrimental to the spin-singlet order in S′ [1][2][3][4][5][6][7][8]. Simulations in Figure 1c demonstrate the tunability of superconductivity in such

• seen by the small (milliohms) resistance values. Here we observe the simplest MR curves, most consistent with the two-state theoretical prediction based on mono-domain simulations, as in Figure 1c. Namely, a P state at high field with large Rxx (suppressed superconductivity) and an AP state at low

• that the initial stage of remagnetization from P to AP state is fully reversible, see curve-1 in Figure 3b. Micromagnetic simulations show that such a stage corresponds to monodomain coherent rotation of magnetizations in neighbor F-layers in opposite directions in a scissor-like manner [34][37]. As

The role of convolutional neural networks in scanning probe microscopy: a review

• Ido Azuri,
• Irit Rosenhek-Goldian,
• Neta Regev-Rudzki,
• Georg Fantner and
• Sidney R. Cohen

Beilstein J. Nanotechnol. 2021, 12, 878–901, doi:10.3762/bjnano.12.66

• , such as low signal-to-noise (S/N) ratio or high emitter (photon) density, leading to blurry images. The network can be trained either on experimental or on simulated images. Simulations are based on the well-understood physics of the image degradation process to generate training images. The simulated

Effects of temperature and repeat layer spacing on mechanical properties of graphene/polycrystalline copper nanolaminated composites under shear loading

• Chia-Wei Huang,
• Man-Ping Chang and
• Te-Hua Fang

Beilstein J. Nanotechnol. 2021, 12, 863–877, doi:10.3762/bjnano.12.65

• ) composites under shear loading are investigated by molecular dynamics simulations. The effects of different temperatures, graphene chirality, repeat layer spacing, and grain size on the mechanical properties, such as failure mechanism, dislocation, and shear modulus, are observed. The results indicate that

• ) simulations of shear loading with different metal layer spacings and grain sizes are conducted. Besides, the temperature effect is also considered since metal lattices become disordered and soften with an increase in temperature [29][30]. Gayk et al. revealed the relationship between different potentials and

• construction of the simulation models. Different sizes of the model were tested to find the optimal size for good simulations at minimal computational time and to determine if finite-size effects arise from the model dimensions. A size of 10 nm × 10 nm × 22 nm of the model was found acceptable. The average

Reducing molecular simulation time for AFM images based on super-resolution methods

• Zhipeng Dou,
• Jianqiang Qian,
• Yingzi Li,
• Rui Lin,
• Jianhai Wang,
• Peng Cheng and
• Zeyu Xu

Beilstein J. Nanotechnol. 2021, 12, 775–785, doi:10.3762/bjnano.12.61

• ][53]. The abovementioned reconstruction algorithms are mostly aimed at real-scanned images, but they could have better applications in molecular simulation to speed up simulations. In this paper, BCS and SRCNN methods are used to reconstruct the molecular simulation images to reduce simulation time

• dynamics simulation To test the effectiveness of the reconstruction algorithms we perform molecular dynamics simulations of AFM imaging in different conditions. The dynamic process (AM mode) and quasi-static process (the relative position of tip–sample remains unchanged in the simulation) are separately

• carried out. The simulation protocol for computing tip–sample interactions is similar to our previous work [54]. In the simulations, the tip consists of silicon atoms and it changes among different shapes, including cone, hemisphere, and single silicon atom. The conical tip height is 13 Å, the opening

Physical constraints lead to parallel evolution of micro- and nanostructures of animal adhesive pads: a review

• Thies H. Büscher and
• Stanislav N. Gorb

Beilstein J. Nanotechnol. 2021, 12, 725–743, doi:10.3762/bjnano.12.57

• functional AMS on the euplantulae of phasmids. The transitions observed in the simulations were used to evaluate the adaptability of the structures, transitions between the structural patterns which could reflect the evolutionary processes, to re-evaluate the potential ancestral state of stick insect AMS

Prediction of Co and Ru nanocluster morphology on 2D MoS₂ from interaction energies

• Cara-Lena Nies and
• Michael Nolan

Beilstein J. Nanotechnol. 2021, 12, 704–724, doi:10.3762/bjnano.12.56

• insights, there is a knowledge gap in the understanding of metal thin film nucleation on 2D materials [28]. We showed that we can investigate the first stages of thin film nucleation on 2D materials with first principles simulations, using the example of small Cun structures on an MoS2 monolayer (ML). MoS2

• first insight into how the presence of such a vacancy might change the interaction between the metal and the ML, we repeat the simulations of the adsorption of single metal atoms and M4 structures on a defective MoS2 ML with a single S vacancy. This was carried out before in our previous work with Cu

Electromigration-induced formation of percolating adsorbate islands during condensation from the gaseous phase: a computational study

• Alina V. Dvornichenko,
• Vasyl O. Kharchenko and
• Dmitrii O. Kharchenko

Beilstein J. Nanotechnol. 2021, 12, 694–703, doi:10.3762/bjnano.12.55

• islands during condensation from the gaseous phase. We will show that the elongated morphology of adsorbate islands remains stable if the electric field is turned off. Keywords: adsorptive systems; electromigration; numerical simulations; pattern formation; thin films; Introduction The processes of

• of adsorbate concentration on the substrate. After that, we discuss the results of numerical simulations. The main conclusions are collected in the last section. Model In order to describe the evolution of the adsorbate concentration on the first growing layer of the multilayer system during

• strength ε extends the domain of α and k∥ in which patterning is possible. Numerical simulations In order to perform numerical simulations of the process of pattern formation during deposition we will proceed in a manner closely related to [63][64]. We will solve numerically Equation 4 on a two-dimensional

A review of defect engineering, ion implantation, and nanofabrication using the helium ion microscope

• Frances I. Allen

Beilstein J. Nanotechnol. 2021, 12, 633–664, doi:10.3762/bjnano.12.52

Local stiffness and work function variations of hexagonal boron nitride on Cu(111)

• Abhishek Grewal,
• Yuqi Wang,
• Matthias Münks,
• Klaus Kern and
• Markus Ternes

Beilstein J. Nanotechnol. 2021, 12, 559–565, doi:10.3762/bjnano.12.46

• ]. Recently, however, Zhang et al. used STM in combination with DFT simulations to study the variation of the local work function and bandgap within the Moiré superlattice and found that the variation depends on the angle of the Moiré with respect to the substrate lattice, but inferred only marginal structure

Simulation of gas sensing with a triboelectric nanogenerator

• Kaiqin Zhao,
• Hua Gan,
• Huan Li,
• Ziyu Liu and
• Zhiyuan Zhu

Beilstein J. Nanotechnol. 2021, 12, 507–516, doi:10.3762/bjnano.12.41

• can also be used as sensors [22]. TENGs, originally proposed by Prof. Zhongling Wang [23], are microgenerators that convert mechanical energy into electrical energy based on the triboelectric effect [24]. In most TENG simulations, a triboelectric polymer material is in direct contact with an electrode

• triboelectric materials is helpful for distinguishing different gases. It is noted that water or humidity can degrade the surface charge density of the electrification surfaces in an actual experiment. We will carry out further investigations in the future. Conclusion Simulations of three differently shaped

Surface-enhanced Raman scattering of water in aqueous dispersions of silver nanoparticles

• Paulina Filipczak,
• Krzysztof Hałagan,
• Jacek Ulański and
• Marcin Kozanecki

Beilstein J. Nanotechnol. 2021, 12, 497–506, doi:10.3762/bjnano.12.40

• average size of 34 ± 14 nm. The temperature experiment results showed a higher enhancement with temperature increase. Performed simulation studies revealed a slowdown of the mobility of the water molecules close to the surface of AgNPs. Keywords: Dynamic lattice liquid (DLL) simulations; liquid water

• -donor or electron-acceptor centres is involved in the interaction with the Ag surface [51]. To bring the Monte-Carlo simulations closer to a real system, short-range interactions between the nearest neighbours were also assumed besides the movement rules defined by the DLL algorithm itself (providing an

• been previously observed for polymer chains [49][50], even when only excluded volume interactions were assumed. Previous works [38][39], as well as the performed simulations, support the finding presented herein in which silver nanoparticles are able to induce surface-enhanced Raman scattering of water

Reconstruction of a 2D layer of KBr on Ir(111) and electromechanical alteration by graphene

• Zhao Liu,
• Antoine Hinaut,
• Stefan Peeters,
• Sebastian Scherb,
• Ernst Meyer,
• Maria Clelia Righi and
• Thilo Glatzel

Beilstein J. Nanotechnol. 2021, 12, 432–439, doi:10.3762/bjnano.12.35

• contamination and averaging effects in KPFM [51]. Conclusion In conclusion, a novel corrugated reconstruction of KBr was observed on Ir(111) by nc-AFM and confirmed by DFT simulations. It is attributed to the lattice symmetry of KBr with respect to the iridium substrate in one direction and a self-adjustment in

• the orthogonal direction forming characteristic stripe patterns. The DFT simulations verify these alternating structures and predict repeating KBr clusters that form a double-row structure connected by Br− ions, which are more strongly bound to the Ir substrate, while the K+ ions keep stable. The work

Colloidal particle aggregation: mechanism of assembly studied via constructal theory modeling

• Scott C. Bukosky,
• Sukrith Dev,
• Monica S. Allen and
• Jeffery W. Allen

Beilstein J. Nanotechnol. 2021, 12, 413–423, doi:10.3762/bjnano.12.33

• increase in the coordination number. We should note that the results presented here assume the self-assembly of monodisperse spherical particles suspended in a monovalent salt solution arranged in a uniform starting configuration. Given the Brownian nature of colloidal particles, future simulations should

• account for the randomness of colloidal suspensions. These simulations should also include the effects from polydisperse particle mixtures or divalent salt solutions, and they should be able to handle the addition of an external stimulus that could facilitate and drive particle assembly. Conclusion We

Intracranial recording in patients with aphasia using nanomaterial-based flexible electronics: promises and challenges

• Qingchun Wang and
• Wai Ting Siok

Beilstein J. Nanotechnol. 2021, 12, 330–342, doi:10.3762/bjnano.12.27

• required. As a continuously evolving field, nanotechnology presents a promising strategy to overcome the current technical limitations of the iEEG method. Flexible electronics have been generated that can be invasively implanted in the brain to collect recordings and simulations of neural activities with

Exploring the fabrication and transfer mechanism of metallic nanostructures on carbon nanomembranes via focused electron beam induced processing

• Christian Preischl,
• Linh Hoang Le,
• Elif Bilgilisoy,
• Armin Gölzhäuser and
• Hubertus Marbach

Beilstein J. Nanotechnol. 2021, 12, 319–329, doi:10.3762/bjnano.12.26

• was dosed through a nozzle with an inner diameter of 3 mm and a distance of approximately 12 mm to the sample surface. Based on simulations using GIS Simulator (version 1.5) [36], the local pressure increase on the sample surface was calculated to approximately 30×. For a fixed background pressure of

Scanning transmission helium ion microscopy on carbon nanomembranes

• Daniel Emmrich,
• Annalena Wolff,
• Nikolaus Meyerbröker,
• Jörg K. N. Lindner,
• André Beyer and
• Armin Gölzhäuser

Beilstein J. Nanotechnol. 2021, 12, 222–231, doi:10.3762/bjnano.12.18

• detector is able to determine the thickness of membranes with sub-nanometer precision by quantitatively evaluating the image signal and comparing the results with Monte Carlo simulations. The thickness determined by the dark-field transmission detector is compared to X-ray photoelectron spectroscopy and

• energy-filtered transmission electron microscopy measurements. Keywords: carbon nanomembranes; dark field; helium ion microscopy (HIM); scanning transmission ion microscopy (STIM); SRIM simulations; Introduction Throughout the past decade, the helium ion microscope (HIM) has emerged as a versatile

• between holder in the specimen chamber and objective lens. The required hole sizes depend on the deflection angles, which are determined by beam energy, sample thickness, and sample material. The angles can be predicted using Monte Carlo simulations, which yield information about the relevant range of

Determination of elastic moduli of elastic–plastic microspherical materials using nanoindentation simulation without mechanical polishing

• Hongzhou Li and
• Jialian Chen

Beilstein J. Nanotechnol. 2021, 12, 213–221, doi:10.3762/bjnano.12.17

• cannot be controlled. There are no reliable theoretical or experimental methods to evaluate the mechanical behavior during nanoindentation of an elastic–plastic microsphere. Therefore, it is necessary to conduct reliable numerical simulations to evaluate this behavior. This article reports a systematic

• the mechanical behavior during nanoindentation of a curved specimen. Therefore, it is necessary to conduct reliable numerical simulations to evaluate the mechanical behavior of nanoindentation on an elastic–plastic microspherical material. The numerical simulations are usually carried out via the

• behavior of microspherical materials and to reduce the number of experimental tests, finite element simulations are used to calculate the load–displacement curves of nanoindentation during loading and unloading. The unloading curve is used to determine the elastic modulus of a material via the well-known

TiO_x/Pt₃Ti(111) surface-directed formation of electronically responsive supramolecular assemblies of tungsten oxide clusters

• Marco Moors,
• Yun An,
• Agnieszka Kuc and
• Kirill Yu. Monakhov

Beilstein J. Nanotechnol. 2021, 12, 203–212, doi:10.3762/bjnano.12.16

• experimental evidence of these species by external charge injection. Theoretically interesting are also under-coordinated W3O9 derivatives, such as W3O8 with CS symmetry, in which one of the tungsten centers has only one terminal oxygen atom instead of two. From simulations it is known that such a tri

• calculated values based on the used deposition rate. Tests with a varied deposition rate showed no significant impact on the cluster adsorption behavior. Density functional theory simulations The simulations of W3O9 and W3O8 clusters were performed using the AMS suite [31]. The geometry optimization and

Numerical analysis of vibration modes of a qPlus sensor with a long tip

• Kebei Chen,
• Zhenghui Liu,
• Yuchen Xie,
• Chunyu Zhang,
• Gengzhao Xu,
• Wentao Song and
• Ke Xu

Beilstein J. Nanotechnol. 2021, 12, 82–92, doi:10.3762/bjnano.12.7

• Sciences (CAS), Suzhou 215123, China CAS Key Laboratory of Nanophotonic Materials and Devices, Suzhou Institute of Nano-Tech and Nano-Bionics, Suzhou 215123, China 10.3762/bjnano.12.7 Abstract We study the oscillatory behavior of qPlus sensors with a long tilted tip by means of finite element simulations

• the optimal diameter was found to be 0.1 mm. Keywords: finite element method; long tilted tip; noncontact atomic force microscopy; qPlus sensor; quartz tuning fork; simulations; Introduction Quartz tuning forks are widely used in the watch industry because of their low frequency offset over a wide

• rectangular drop of Torr seal epoxy. The diameter values of the tungsten tip used in the simulations were chosen according to diameters of the tungsten wire available [24]. We selected four different diameters: 0.025 mm, 0.05 mm, 0.075 mm, and 0.1 mm. The tip length can be customized according to the

The role of gold atom concentration in the formation of Cu–Au nanoparticles from the gas phase

• Yuri Ya. Gafner,
• Svetlana L. Gafner,
• Darya A. Ryzkova and
• Andrey V. Nomoev

Beilstein J. Nanotechnol. 2021, 12, 72–81, doi:10.3762/bjnano.12.6

• by Dr. Ralf Meyer at the University of Duisburg (Germany), was used for the MD simulations. Results and Discussion During the simulation of the condensation process of copper and gold atoms, the temperature in the synthesis region was determined by two independent factors: the cooling process of the

Bio-imaging with the helium-ion microscope: A review

• Matthias Schmidt,
• James M. Byrne and
• Ilari J. Maasilta

Beilstein J. Nanotechnol. 2021, 12, 1–23, doi:10.3762/bjnano.12.1

• range of applications to thin sections, similar to the transmission option in SEMs. In combination with the well-established heavy-metal staining techniques used in transmission electron microscopy (TEM), this would allow for ultrastructural research comparable to standard TEM. SRIM [57] simulations

Scanning transmission imaging in the helium ion microscope using a microchannel plate with a delay line detector

• Eduardo Serralta,
• Nico Klingner,
• Olivier De Castro,
• Michael Mousley,
• Santhana Eswara,
• Serge Duarte Pinto,
• Tom Wirtz and
• Gregor Hlawacek

Beilstein J. Nanotechnol. 2020, 11, 1854–1864, doi:10.3762/bjnano.11.167

• channeling effect in the HIM has also been studied using Monte Carlo [21] and molecular dynamics [22] simulations. Measuring the energy of the transmitted particles is a novel technique that adds an information channel to the previously discussed transmission imaging modes. It will provide information on the

•  3b, we show simulations of the exit angular distribution of 30 keV He for the different stacks of materials that are present in the sample, using TRIDYN [39] in static mode. The graph presented in Figure 3b shows the corresponding transmission angular distribution for the region used in Figure 3a

• . The expected contrast between different areas of the sample for the detection range of 0 to 4.5° is calculated from these distributions. In Table 1, a comparison between the contrast calculated in the simulations and the contrast obtained from Figure 3a is given. For this sample, the simulated and

Nanomechanics of few-layer materials: do individual layers slide upon folding?

• Ronaldo J. C. Batista,
• Rafael F. Dias,
• Ana P. M. Barboza,
• Alan B. de Oliveira,
• Taise M. Manhabosco,
• Thiago R. Gomes-Silva,
• Matheus J. S. Matos,
• Andreij C. Gadelha,
• Cassiano Rabelo,
• Luiz G. L. Cançado,
• Ado Jorio,
• Hélio Chacham and
• Bernardo R. A. Neves

Beilstein J. Nanotechnol. 2020, 11, 1801–1808, doi:10.3762/bjnano.11.162

• folded 2D material. In principle, the model describes any 2D material, and its predictions are corroborated by comparison with classical molecular dynamics simulations and to results of previous investigations on graphene and talc. Because folds naturally occur in flakes of varying thickness

• geometries for folded edges in a graphene monolayer (Figure 2a) and in three-layered graphene (Figure 2b), obtained through MD simulations (details about MD simulations are found in Supporting Information File 1). As can be seen in Figure 2a, the model geometry consists of a sequence of straight lines and

• the particular case of the folded edge in a graphene monolayer shown in Figure 2a, we used literature values for α = 0.37 N/m [30] and κ = 0.231 aJ [35] to determine r0 and R0. In the case of the folded edge in three-layered graphene, we used values of R0 = 0.81 nm and d0 = 1.01 nm from MD simulations

Mapping of integrated PIN diodes with a 3D architecture by scanning microwave impedance microscopy and dynamic spectroscopy

• Rosine Coq Germanicus,
• Peter De Wolf,
• Florent Lallemand,
• Catherine Bunel,
• Serge Bardy,
• Hugues Murray and
• Ulrike Lüders

Beilstein J. Nanotechnol. 2020, 11, 1764–1775, doi:10.3762/bjnano.11.159

• intrinsic layer allows one to meet the required electrical specifications for switches in power electronics. In order to analyse the profiles extracted from the sMIM measurements, the majority carrier concentration calculated by numerical simulations [31] for an abrupt PIN doping profile is compared with

Imaging and milling resolution of light ion beams from helium ion microscopy and FIBs driven by liquid metal alloy ion sources

• Nico Klingner,
• Gregor Hlawacek,
• Paul Mazarov,
• Wolfgang Pilz,
• Fabian Meyer and
• Lothar Bischoff

Beilstein J. Nanotechnol. 2020, 11, 1742–1749, doi:10.3762/bjnano.11.156

• compared with ion beams such as lithium, beryllium, boron, and silicon, obtained from a mass-separated FIB using a liquid metal alloy ion source (LMAIS) with respect to the imaging and milling resolution, as well as the current stability. Simulations were carried out to investigate whether the

• experimentally smallest ion-milled trenches are limited by the size of the collision cascade. While He+ offers, experimentally and in simulations, the smallest minimum trench width, light ion species such as Li+ or Be+ from a LMAIS offer higher milling rates and ion currents while outperforming the milling

• imaging resolution and minimum milling width were compared with those of helium and neon beams provided by a GFIS-driven HIM system. According to our simulations and experiments, the imaging and milling resolution of all systems is determined by the ion beam profile and the stability of the ion beam and