Thermal oxidation process on Si(113)-(3 × 2) investigated using high-temperature scanning tunneling microscopy

• Hiroya Tanaka,
• Shinya Ohno,
• Kazushi Miki and
• Masatoshi Tanaka

Beilstein J. Nanotechnol. 2022, 13, 172–181, doi:10.3762/bjnano.13.12

• ) has been used as the ideal tool to investigate reaction dynamics on surfaces. In our previous studies, we applied our VT-STM to investigate hydrogen diffusion [5] and titanium silicide formation [6] on Si(001). In our previous studies of oxidation on Si(113), we investigated the electronic states of

• ) substrate dramatically, so that it was close to that of Si(001) [1]. To gain insight into the origin of this remarkable reduction in Dit, it is necessary to understand the dynamic processes that occur during thermal oxidation more precisely. To this end, we observed the reaction dynamics during thermal

• towards a thin film regime. Conclusion We investigated three oxidation growth modes – oxidation, etching, and transition modes – in the third of which both oxidation and etching occur. Reaction dynamics in the oxidation of Si(113)-(3 × 2) was observed in real time using VT-STM. Nucleation of the oxide and

Influence of magnetic domain walls on all-optical magnetic toggle switching in a ferrimagnetic GdFe film

• Rahil Hosseinifar,
• Evangelos Golias,
• Ivar Kumberg,
• Quentin Guillet,
• Karl Frischmuth,
• Sangeeta Thakur,
• Mario Fix,
• Manfred Albrecht,
• Florian Kronast and
• Wolfgang Kuch

Beilstein J. Nanotechnol. 2022, 13, 74–81, doi:10.3762/bjnano.13.5

• radiation beamtime. Funding This work was supported by the Deutsche Forschungsgemeinschaft via the CRC/TRR 227 “Ultrafast Spin Dynamics”, project A07.

Nanoscale friction and wear of a polymer coated with graphene

• Robin Vacher and
• Astrid S. de Wijn

Beilstein J. Nanotechnol. 2022, 13, 63–73, doi:10.3762/bjnano.13.4

• challenging problem due to the complex viscoelastic properties and structure. Using molecular dynamics simulations, we investigate how a graphene sheet on top of the semicrystalline polymer polyvinyl alcohol affects the friction and wear. Our setup is meant to resemble an AFM experiment with a silicon tip. We

• the polymer chains and reduces the indentation depth. Keywords: friction; graphene; molecular dynamics; polymer; Introduction Graphene is a two dimensional material that has remarkable properties, both electronic [1][2] and mechanical [3][4]. Even before anything was known about graphene, the

• . [27][28] show that graphene has a strong effect on the structure and dynamics of the polymer chains near the interface. In this work, we aim to develop our understanding of the frictional behavior of a polymer coated with graphene by using molecular dynamics simulations of a single sliding asperity at

Effect of lubricants on the rotational transmission between solid-state gears

• Huang-Hsiang Lin,
• Jonathan Heinze,
• Alexander Croy,
• Rafael Gutiérrez and
• Gianaurelio Cuniberti

Beilstein J. Nanotechnol. 2022, 13, 54–62, doi:10.3762/bjnano.13.3

• are taken into account due to high pressure at intermediate sliding velocities. On the macroscopic scale, the hydrodynamics of the fluid can be analyzed by computational fluid dynamics (CFD) [6][7], which is based on solving the Navier–Stokes equation [8][9] or Reynold equation [10] for the thin-film

• and velocity distribution are not well defined and one has to resort to an atomistic description, for example, via molecular dynamics (MD) simulations. Also, the contact mechanics at the nanoscale is very different from the macroscopic case since specific pair interactions have to be taken into

• only for better visibility since the actual thickness of the lubricant layer is 5.0–5.5 nm to ensure that the gears are immersed. Finally, the whole system is optimized by using the conjugate gradient method implemented within LAMMPS [58]. Molecular dynamics In this study, we use LAMMPS to perform the

Sputtering onto liquids: a critical review

• Anastasiya Sergievskaya,
• Adrien Chauvin and
• Stephanos Konstantinidis

Beilstein J. Nanotechnol. 2022, 13, 10–53, doi:10.3762/bjnano.13.2

Heating ability of elongated magnetic nanoparticles

• Elizaveta M. Gubanova,
• Nikolai A. Usov and
• Vladimir A. Oleinikov

Beilstein J. Nanotechnol. 2021, 12, 1404–1412, doi:10.3762/bjnano.12.104

• anisotropy constant, Kef ≈ KSh, determines the characteristic value of the reduced energy barrier between potential wells. The latter is equal in order of magnitude to σ = KefV/kBT, where kB is the Boltzmann constant and T is the absolute temperature. The dynamics of the unit magnetization vector of a

• field, is very small. At the same time, at small values of this parameter, σ ≪ 1, the dynamics of the unit magnetization vector is determined by thermal fluctuations, and the effect of the ac magnetic field is insignificant. Therefore, at fixed amplitude of the ac magnetic field, with increase in the

Cantilever signature of tip detachment during contact resonance AFM

• Devin Kalafut,
• Ryan Wagner,
• Maria Jose Cadena,
• Anil Bajaj and
• Arvind Raman

Beilstein J. Nanotechnol. 2021, 12, 1286–1296, doi:10.3762/bjnano.12.96

• to improve their measurements. We shed light on this issue by deliberately pushing both our experimental equipment and numerical simulations to the point of tip–sample detachment to explore cantilever dynamics during a useful and observable threshold feature in the measured response. Numerical

• simulations of the analytical model allow for extended insight into cantilever dynamics such as full-length deflection and slope behavior, which can be challenging or unobtainable in a standard equipment configuration. With such tools, we are able to determine the cantilever motion during detachment and

• nonlinear response feature to the onset of tip–sample detachment in our numerical simulations to confirm the conclusions from prior works [26][27][28]. The simulations allow for deeper insight into cantilever dynamics during the interaction between the AFM probe tip and the sample, which in turn allow us to

Nonmonotonous temperature dependence of Shapiro steps in YBCO grain boundary junctions

• Leonid S. Revin,
• Dmitriy V. Masterov,
• Alexey E. Parafin,
• Sergey A. Pavlov and
• Andrey L. Pankratov

Beilstein J. Nanotechnol. 2021, 12, 1279–1285, doi:10.3762/bjnano.12.95

• ; Shapiro steps; temperature dependence; YBaCuO Josephson junction; Introduction High-temperature superconducting (HTSC) Josephson junctions (JJs) are of great interest since many physical properties can be observed in dynamics during the changing the temperature within a wide range from nitrogen

• increases, and for 20 K, in the general case, Equation 1 becomes invalid, that is, the dynamics of the spatial distribution of the phase and the magnetic field inside the junction becomes important [39][40][41]. In the case of long JJs it is necessary to consider the sine-Gordon equation, taking into

• account the non-uniform distribution of currents flowing through the barrier, which is typical for bicrystal junctions [28][42][43]. However, if the junction length is of the order of the kink size and there is no external magnetic field, the long junction dynamics is close to that of a short one [39] and

A review on slip boundary conditions at the nanoscale: recent development and applications

• Ruifei Wang,
• Jin Chai,
• Bobo Luo,
• Xiong Liu,
• Jianting Zhang,
• Min Wu,
• Mingdan Wei and
• Zhuanyue Ma

Beilstein J. Nanotechnol. 2021, 12, 1237–1251, doi:10.3762/bjnano.12.91

• force [39][40][41][42]. However, compared with experimental methods, numerical simulations, such as the lattice Boltzmann method and molecular dynamics (MD) simulation, are more attractive in many aspects. First, numerical simulations can readily reach the system sizes and timescales of practical

• Beskok compared a slip-modified theoretical model with the molecular dynamics simulation results. They found that the slip enhancement in the electro-osmotic flow is independent of the channel height, which can provide a theoretical basis for membrane fabrication of electrically assisted nanofiltration

Impact of electron–phonon coupling on electron transport through T-shaped arrangements of quantum dots in the Kondo regime

• Patryk Florków and
• Stanisław Lipiński

Beilstein J. Nanotechnol. 2021, 12, 1209–1225, doi:10.3762/bjnano.12.89

• Nph is given by the Bose–Einstein distribution. In this approach the electron and phonon dynamics become decoupled. This approximation, which is widely used in literature [49][58][59][70][71][72], predicts the exponential suppression of the tunneling amplitudes (Franck–Condon (F–C)-type suppression

• state and double or fourfold occupied states become degenerate. The low-temperature dynamics is then described only by charge fluctuations, that is, flips of charge pseudospin (charge Kondo effect). Of special interest are the effective fluctuations between degenerate empty and fully occupied states

Irradiation-driven molecular dynamics simulation of the FEBID process for Pt(PF₃)₄

• Alexey Prosvetov,
• Alexey V. Verkhovtsev,
• Gennady Sushko and
• Andrey V. Solov’yov

Beilstein J. Nanotechnol. 2021, 12, 1151–1172, doi:10.3762/bjnano.12.86

• presents a detailed computational protocol for the atomistic simulation of formation and growth of metal-containing nanostructures during focused electron beam-induced deposition (FEBID). The protocol is based upon irradiation-driven molecular dynamics (IDMD), a novel and general methodology for computer

• deposition; irradiation-driven molecular dynamics; irradiation-induced chemistry; platinum nanostructures; reactive force fields; Introduction The controllable fabrication of nanostructures with nanoscale resolution remains a considerable scientific and technological challenge [1]. To address this challenge

• dynamics (IDMD) [13], a novel and general methodology for computer simulations of irradiation-driven transformations of complex molecular systems. This approach overcomes the limitations of previously used computational methods and describes FEBID-based nanostructures at the atomistic level by accounting

Self-assembly of amino acids toward functional biomaterials

• Huan Ren,
• Lifang Wu,
• Lina Tan,
• Yanni Bao,
• Yuchen Ma,
• Yong Jin and
• Qianli Zou

Beilstein J. Nanotechnol. 2021, 12, 1140–1150, doi:10.3762/bjnano.12.85

• ]. Although traditional materials provide good structural analogues for native bone and surrounding tissue, they are difficult to mimic the dynamics and complexity of the natural environment [9]. Therefore, it is necessary to develop a new generation of biomaterials to improve strategies for natural tissue

• phenylketonuria. Bera et al. [37] studied the effect of chiral on aromatic amino acid self-assembly. They found that the hybrid ᴅʟ system (racemate) alters the morphology and dynamics of the assemblies. For example, either ʟ-phenylalanine or ᴅ-phenylalanine can form amyloid fibers, but the ᴅʟ system shows a

Open-loop amplitude-modulation Kelvin probe force microscopy operated in single-pass PeakForce tapping mode

• Gheorghe Stan and
• Pradeep Namboodiri

Beilstein J. Nanotechnol. 2021, 12, 1115–1126, doi:10.3762/bjnano.12.83

• microscopy [29][30], pump–probe KPFM [31][32], or fast free force recovery KPFM [33] that are capable of observing the dynamics of the optoelectronic response of materials and electric field-induced charge migration at time scales of the order of tens of microseconds. Various OL KPFM implementations with

• scale of the order of 20 μs, which is about one hundred times faster than CL KPFM modes and could be used to observe ultrafast dynamics of electrical processes [35][46]. Due to the long-range nature of the electrostatic interactions, contributions from all the conductive parts (apex, cone, and

An overview of microneedle applications, materials, and fabrication methods

• Zahra Faraji Rad,
• Philip D. Prewett and
• Graham J. Davies

Beilstein J. Nanotechnol. 2021, 12, 1034–1046, doi:10.3762/bjnano.12.77

• in a study which integrated hollow silicon microneedles with a reservoir unit, a piezoelectric actuator system, and a flow sensor for real-time measurements of fluid dynamics [46]. In other research, much smaller microneedles – just 8 μm in height and 1 μm in diameter – were fabricated by DRIE for

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

• review highlights the efficiency of various CNNs for noise removal compared to conventional de-noising [132]. Extracting quantitative information about the dynamics occurring in the sample from fully processed HS-AFM images is a time-consuming task, since one experiment can consist of tens of thousands

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

• . Keywords: dislocation; graphene/Cu; molecular dynamics; shear; self-healing; Introduction Graphene is a monolayered hexagonal thin film composed of sp2-bonded carbon atoms and has extraordinary properties for applications in nanoelectronics [1][2][3][4][5][6]. However, because of the two-dimensional

• this work, we focus on temperature and microstructure effects on graphene/polycrystalline copper nanolaminated (GPCuNL) composites. As mentioned above, the microstructure plays a crucial role for the mechanical behavior of GPCuNL composites. Thus, in the present study, molecular dynamics (MD

Comprehensive review on ultrasound-responsive theranostic nanomaterials: mechanisms, structures and medical applications

• Sepand Tehrani Fateh,
• Lida Moradi,
• Elmira Kohan,
• Michael R. Hamblin and
• Amin Shiralizadeh Dezfuli

Beilstein J. Nanotechnol. 2021, 12, 808–862, doi:10.3762/bjnano.12.64

• anticancer drugs [139]. They can also be targeted to specific tissues through surface modification with different ligands [169][170]. Azmin et al. reviewed MB dynamics and the physical principles behind MBs, providing a theoretical basis for the development of MB-based theranostic systems [171]. Some

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

• can be used to speed up the generation of training data and vary simulation resolution for AFM machine learning. Keywords: atomic force microscopy; Bayesian compressed sensing; convolutional neural network; molecular dynamics simulation; super resolution; Introduction Atomic force microscopy methods

• . The energy maps of the interaction between several tips and samples under different conditions are simulated in dynamic and quasi-static modes. The molecular dynamics simulation details and main steps of reconstruction algorithms are presented. Then, several reconstruction results are conducted to

• 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

Recent progress in magnetic applications for micro- and nanorobots

• Ke Xu,
• Shuang Xu and
• Fanan Wei

Beilstein J. Nanotechnol. 2021, 12, 744–755, doi:10.3762/bjnano.12.58

• microenvironment to promote intracellular biocatalysis. MaBiDz dynamics were significantly enhanced compared with free BiDz. MaBiDz also has cytocompatibility, is easy to integrate with cells, and exhibits intracellular stability. These features make it possible to quickly detect breast adenocarcinoma biomarkers

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

• dynamics of the evolution of surface morphology at elevated temperatures. This effect can lead to a change in the morphology of the surface compared to the isotropic case of deposition without the presence of an external field. Mathematical and numerical modeling of nanostructured thin film growth

• processes allows one to analyze in detail the dynamics of this process, to establish the influence of basic factors (pressure inside the chamber, deposition temperature, energy characteristics, and external influence) on the morphology of the growing surface and type and size of surface structures. One of

• the formation of nanoscale clusters of point defects in solids exposed to irradiating sources [69][70][71][72][73]. Electromigration effects The main purpose of this work is to study the effect of electromigration on the dynamics of surface growth during deposition, its morphology, and statistical

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

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

• near gold nanoparticles protected by various ligands [38][39]. The results of hydrogen bond dynamics and calculated far-IR spectra showed that a well-defined multilayered structure of water is formed close to the surface of the metal nanoparticle. The stabilization of this structure may be additionally

• are faster than molecular dynamics methods. The simulations were performed on a 100×100×32 FCC lattice and averaged over 10 000 time units. Two stiff immobile walls representing Ag {100} surfaces were placed at z = 1 and z = 32. In other directions, (x, y) periodic boundary conditions were used. All

Spontaneous shape transition of Mn_xGe_1−x islands to long nanowires

• S. Javad Rezvani,
• Luc Favre,
• Gabriele Giuli,
• Yiming Wubulikasimu,
• Isabelle Berbezier,
• Augusto Marcelli,
• Luca Boarino and
• Nicola Pinto

Beilstein J. Nanotechnol. 2021, 12, 366–374, doi:10.3762/bjnano.12.30

• using these techniques, NWs are grown away from the substrate, usually in a tilted direction, and size distribution and geometry strongly depend on the growth dynamics [32][33]. Furthermore, it is known that the catalyst introduces uncontrolled and unwanted contamination inside the crystal lattice of

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

• has an excellent temporal resolution at the millisecond scale. ECoG data have a typical sampling rate of 1,000–3,000 Hz. This high temporal resolution offers an opportunity to observe the rapid dynamics of neural activities in precisely localized brain regions. ECoG has a much higher signal-to-noise

• , iEEG is a promising method to reveal the dynamics of natural semantic processing. Khachatryan et al. [64] recorded neural signals from the scalp and cortex of nine epileptic subjects to study the activation of semantic and perceptual priming (Figure 4). Patients completed a semantic judgment task and

Differences in surface chemistry of iron oxide nanoparticles result in different routes of internalization

• Barbora Svitkova,
• Vlasta Zavisova,
• Veronika Nemethova,
• Martina Koneracka,
• Miroslava Kretova,
• Filip Razga,
• Monika Ursinyova and
• Alena Gabelova

Beilstein J. Nanotechnol. 2021, 12, 270–281, doi:10.3762/bjnano.12.22

• or cytoskeleton dynamics was quantified by atomic absorption spectroscopy (AAS) and the uptake was verified by fluorescent microscopy. The uptake route of the tested MNPs differed depending on the surface coating. While BSA-SO-MNPs were internalized via CME, PEG-SO-MNPs were preferentially taken up

• experiments, cells were exposed to MNPs in a medium supplemented with 2% FBS. A549 cells up to 20 generations (passaged two times per week) were used in the experiments. Treatment of cells After reaching exponential growth, cells were pre-treated with inhibitors of endocytosis or cytoskeleton dynamics for 1 h

• additional time of 1 h. Cell exposure was finished by sucking off the culture medium and washing the cells twice with phosphate-buffered saline (PBS). An illustration of the treatment is shown in Figure 4. The final concentrations of individual inhibitors of endocytosis or cytoskeleton dynamics were prepared