Sidewall angle tuning in focused electron beam-induced processing

• Sangeetha Hari,
• Willem F. van Dorp,
• Johannes J. L. Mulders,
• Piet H. F. Trompenaars,
• Pieter Kruit and
• Cornelis W. Hagen

Beilstein J. Nanotechnol. 2024, 15, 447–456, doi:10.3762/bjnano.15.40

• explained, based on a simple model of the physics involved. Then experimental results are presented, which are quite surprising and call for an extension of the simple model. A more advanced model simulating the FEBIE-assisted sidewall modification is proposed. The simulation results are shown to be in good

• modification – proof of principle simulation Low-energy electrons are assumed to be most effective in the dissociation process. The reason is that low-energy electrons interact more efficiently with molecules than high-energy electrons. One dissociation channel is dissociative electron attachment (DEA), which

• , section S1 for more details on the simulation). Sidewall slope evolution under FEBIE To experimentally study the modification of the sidewalls of a FEBID structure, carbon structures were first deposited on a silicon substrate with a 20 nm gold–palladium layer and a 5 nm titanium adhesion layer. The

Heat-induced morphological changes in silver nanowires deposited on a patterned silicon substrate

• Elyad Damerchi,
• Sven Oras,
• Edgars Butanovs,
• Allar Liivlaid,
• Mikk Antsov,
• Boris Polyakov,
• Annamarija Trausa,
• Veronika Zadin,
• Andreas Kyritsakis,
• Loïc Vidal,
• Karine Mougin,
• Siim Pikker and
• Sergei Vlassov

Beilstein J. Nanotechnol. 2024, 15, 435–446, doi:10.3762/bjnano.15.39

• fragmentation of NWs during the heat treatment. Molecular dynamics model of the NW: (a) initial conditions, (b) results of the compression cycle, (c) results of the tensile deformation; (d) amorphization of the central part of the NW as a result of heat-treatment cycles: TEM image (left) and MD simulation frame

Classification and application of metal-based nanoantioxidants in medicine and healthcare

• Nguyen Nhat Nam,
• Nguyen Khoi Song Tran,
• Tan Tai Nguyen,
• Nguyen Ngoc Trai,
• Nguyen Phuong Thuy,
• Hoang Dang Khoa Do,
• Nhu Hoa Thi Tran and
• Kieu The Loan Trinh

Beilstein J. Nanotechnol. 2024, 15, 396–415, doi:10.3762/bjnano.15.36

• ]. Pharmacokinetic analysis of curcumin-loaded polymeric nanoparticles after oral delivery in mice demonstrated a 20-fold decrease in dose requirement compared to natural curcumin [140]. Both experimental and molecular dynamics simulation studies suggested an optimal ferulic acid (an antioxidant in plants

On the mechanism of piezoresistance in nanocrystalline graphite

• Sandeep Kumar,
• Simone Dehm and
• Ralph Krupke

Beilstein J. Nanotechnol. 2024, 15, 376–384, doi:10.3762/bjnano.15.34

• kinetically favorable process occurs in alternating sequences related to thermal and stress fluctuations inducing nanocrack formation [37][44]. Yang et al. [45] have shown a simulation of the stress vs strain behavior in NCG films at different temperatures and strain rates. Interestingly, the curve looks

Investigating ripple pattern formation and damage profiles in Si and Ge induced by 100 keV Ar⁺ ion beam: a comparative study

• Indra Sulania,
• Harpreet Sondhi,
• Tanuj Kumar,
• Sunil Ojha,
• G R Umapathy,
• Ambuj Mishra,
• Ambuj Tripathi,
• Richa Krishna,
• Devesh Kumar Avasthi and
• Yogendra Kumar Mishra

Beilstein J. Nanotechnol. 2024, 15, 367–375, doi:10.3762/bjnano.15.33

• disorder with ion irradiation conditions, the RBS-c data were analyzed and the damage depth distribution (i.e., finite-difference frequency-domain, FDFD, as a function of depth) was extracted by using the simulation code “De-channelling In Crystals And Defect Analysis (DICADA)” [35]. The RBS-c results show

Determining by Raman spectroscopy the average thickness and N-layer-specific surface coverages of MoS₂ thin films with domains much smaller than the laser spot size

• Felipe Wasem Klein,
• Jean-Roch Huntzinger,
• Vincent Astié,
• Damien Voiry,
• Romain Parret,
• Houssine Makhlouf,
• Sandrine Juillaguet,
• Jean-Manuel Decams,
• Sylvie Contreras,
• Périne Landois,
• Ahmed-Azmi Zahab,
• Jean-Louis Sauvajol and
• Matthieu Paillet

Beilstein J. Nanotechnol. 2024, 15, 279–296, doi:10.3762/bjnano.15.26

Design, fabrication, and characterization of kinetic-inductive force sensors for scanning probe applications

• August K. Roos,
• Ermes Scarano,
• Elisabet K. Arvidsson,
• Erik Holmgren and
• David B. Haviland

Beilstein J. Nanotechnol. 2024, 15, 242–255, doi:10.3762/bjnano.15.23

• typical inductor for all three nanowire widths at their lowest eigenfrequency in the range of 18–28 GHz, where we see the current node located in the center of the meander. Figure 3b shows the microwave simulation of the entire circuit, including the shunt inductance formed from a short nanowire. At the

• simulation and experiment. Electrical mode From the measured normal-state resistance of our nanowires and the measured thickness and width, we find a sheet resistance R□ = 243 Ω/□, corresponding to a resistivity of ρn = 365 μΩ cm. We monitor the microwave response during cool-down and estimate a critical

• Lk,□ = 36 pH/□, with the current node at the center of the nanowire. The frequencies land in the range of 18–28 GHz. (b) Simulation of the first resonant mode of the entire structure, using a nanowire width w = 200 nm. On resonance, the current density is uniformly distributed in the meandering

Quantitative wear evaluation of tips based on sharp structures

• Ke Xu and
• Houwen Leng

Beilstein J. Nanotechnol. 2024, 15, 230–241, doi:10.3762/bjnano.15.22

• sample matrix. This process was repeated until all points on the sample matrix had been scanned. The resulting image comprised the recorded height information of the tip apex. Figure 4 illustrates the two tip shapes used in the simulation, a blunt tip with a tip diameter of 20 nm at a distance of 5 nm

• , representing the vertex in the image. Additionally, we label the two data points located 5 nm vertically away from the highest point as points D and F. The distance between point D and point F is 10 nm, which matches the tip diameter of the sharp tip located 5 nm from the apex. The simulation results show that

Multiscale modelling of biomolecular corona formation on metallic surfaces

• Parinaz Mosaddeghi Amini,
• Ian Rouse,
• Julia Subbotina and
• Vladimir Lobaskin

Beilstein J. Nanotechnol. 2024, 15, 215–229, doi:10.3762/bjnano.15.21

• explanation of the theoretical model developed to study the interaction between protein and lactose with metals, as well as the rationale behind the parameterization scheme used. Subsequently, we discuss the simulation results and analyze the individual adsorption affinities predicted for molecules

• level of description to the complete mesoscale model of the corona. Figure 3 shows the parameterization and simulation workflow, outlining different stages and components involved in the study. All-atoms short-range interaction modelling results All-atom metadynamics simulations were conducted using

• orientations of each protein treated as different potential adsorbates to allow for a more physically realistic model of corona formation for anisotropic proteins. In brief, a standard kinetic Monte Carlo routine is used to advance the simulation from one event, collision of an incoming adsorbate with the NP

Ferromagnetic resonance spectra of linear magnetosome chains

• Elizaveta M. Gubanova and
• Nikolai A. Usov

Beilstein J. Nanotechnol. 2024, 15, 157–167, doi:10.3762/bjnano.15.15

• nanoparticles; numerical simulation; Introduction Magnetotactic bacteria are living organisms that grow within themselves magnetite nanoparticles called magnetosomes [1][2][3][4]. In contrast to chemically synthesized magnetite nanoparticles [5][6], magnetosomes have a perfect crystal structure, a narrow size

• [1][2][3][4][7][8][9][16][17][18][19][20][21][22][23] accumulated to date for assemblies of magnetosome chains. Numerical Simulation Consider a dilute assembly of linear chains of magnetosomes consisting of Np spherical nanoparticles of average diameter D. Dynamics of the unit magnetization vector

• resolved for angles θ ≥ 75°. To summarize the numerical simulation data obtained for oriented assemblies, in Figure 3a we show the angle dependence of the resonance FMR field, Hres(θ), for linear chains with various average particle diameters. It is interesting to note the noticeable dependence of the

Measurements of dichroic bow-tie antenna arrays with integrated cold-electron bolometers using YBCO oscillators

• Leonid S. Revin,
• Dmitry A. Pimanov,
• Alexander V. Chiginev,
• Anton V. Blagodatkin,
• Viktor O. Zbrozhek,
• Andrey V. Samartsev,
• Anastasia N. Orlova,
• Dmitry V. Masterov,
• Alexey E. Parafin,
• Victoria Yu. Safonova,
• Anna V. Gordeeva,
• Andrey L. Pankratov,
• Leonid S. Kuzmin,
• Anatolie S. Sidorenko,
• Silvia Masi and
• Paolo de Bernardis

Beilstein J. Nanotechnol. 2024, 15, 26–36, doi:10.3762/bjnano.15.3

• efficient reduction of electron temperature down to 65 mK from a base temperature of 300 mK [22]. Here we present improved simulation results in comparison with [24] and the first results of fabrication and measurements, using YBa2Cu3O7 (YBCO) Josephson junction (JJ) oscillators, of a dichroic multiabsorber

• of numerical simulation. The aim of the optimization was to bring the absorption bandwidth in line with the current requirements for the LSPE receiving system. According to these requirements, the width of the absorption line should be 20% of the operating frequency for the 210 GHz channel and 10% of

• The results of measurements correspond to the simulation results rather well. There is a certain mismatch, which can be explained by the substrate thickness deviation from the desired value as well as improper barrier thickness due to variations in oxidation time, so the CEB SIN tunnel junction

A bifunctional superconducting cell as flux qubit and neuron

• Dmitrii S. Pashin,
• Pavel V. Pikunov,
• Marina V. Bastrakova,
• Andrey E. Schegolev,
• Nikolay V. Klenov and
• Igor I. Soloviev

Beilstein J. Nanotechnol. 2023, 14, 1116–1126, doi:10.3762/bjnano.14.92

• ) = . Let us estimate the Landau–Zener transition probability at the moment of the first levels’ convergence, which corresponds to the time tLZ for diabatic dynamics (when Δ → 0) of level crossing (dashed lines in inserts in Figure 2a,b). As clearly seen from the simulation, the anticrossing effect occurs

• , respectively. (b) The region of parameters where the transfer characteristic is close to a sigmoidal shape with a standard deviation of SD < 10−4. In the white area, even at zero temperature, the standard deviation is larger then SD = 10−4. The system parameters used in the simulation were A = 4π, a coupling

Density functional theory study of Au-fcc/Ge and Au-hcp/Ge interfaces

• Olga Sikora,
• Małgorzata Sternik,
• Benedykt R. Jany,
• Franciszek Krok,
• Przemysław Piekarz and
• Andrzej M. Oleś

Beilstein J. Nanotechnol. 2023, 14, 1093–1105, doi:10.3762/bjnano.14.90

• tunnelling microscopy. However, experimental data provide only partial insight into the formation of interfaces, and the interpretation of microscopic images is often ambiguous. Various simulation techniques can be used to resolve the uncertainties and reveal mechanisms stabilizing the observed interfaces

Spatial mapping of photovoltage and light-induced displacement of on-chip coupled piezo/photodiodes by Kelvin probe force microscopy under modulated illumination

• Zeinab Eftekhari,
• Nasim Rezaei,
• Hidde Stokkel,
• Jian-Yao Zheng,
• Andrea Cerreta,
• Ilka Hermes,
• Minh Nguyen,
• Guus Rijnders and
• Rebecca Saive

Beilstein J. Nanotechnol. 2023, 14, 1059–1067, doi:10.3762/bjnano.14.87

• to the flexible center of the membrane and clamped edges, and it is not attributed to the variation of induced photovoltage. The simulation results of the same device (Figure 3d) confirm the shape and range of displacement mapping over the active area. It is instructive to note that ideally the

• displacements of the light-driven membrane are in good agreement with the simulation results. Moreover, time-dependent AFM was used to investigate position-dependent and size-dependent displacement of piezoelectric actuators driven by an electrical bias. Deviations from the expected membrane behavior stress the

• 5.6 × 5.6 mm2 are mapped. The dashed black circle marks the hole etched on the backside of the silicon substrate. (b) The surface photovoltage of each measured point. (c) Displacement normalized to the corresponding photovoltage at each point. (d) Simulation results of the same sample. Color map of

Metal-organic framework-based nanomaterials for CO₂ storage: A review

• Ha Huu Do,
• Iqra Rabani and
• Hai Bang Truong

Beilstein J. Nanotechnol. 2023, 14, 964–970, doi:10.3762/bjnano.14.79

• amount of absorbed CO2 was significantly improved. Notably, the optimal Mg-MOF-74/graphene-based composite yielded a high CO2 adsorption capacity of 8.4 mmol·g−1 at 298 K and 1 bar. Grand canonical Monte Carlo simulation for CO2 storage prediction Grand canonical Monte Carlo (GCMC) simulation is an

Biomimetics on the micro- and nanoscale – The 25th anniversary of the lotus effect

• Matthias Mail,
• Kerstin Koch,
• Thomas Speck,
• William M. Megill and
• Stanislav N. Gorb

Beilstein J. Nanotechnol. 2023, 14, 850–856, doi:10.3762/bjnano.14.69

• new research techniques and methodologies that enabled detailed investigation of biological archetypes. High-detail microscopy, analysis systems, and novel simulation tools helped to decode the secrets of nature, while new fabrication techniques helped to transfer these findings into technical

• suspension feeding in common Crustacea. The results show that a system combining long and short setae with different mechanical properties has the best performance. The numerical simulation can in future be easily adapted to other systems and therefore be used for biomimetic developments (e.g., in the field

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

• simulations [39]. Molecular dynamics setup The simulation system is made of a box periodic in X and Y dimensions, and aperiodic in the Z dimension. It contains a sample of 5248 atoms (silicon and a thin layer of water molecules). The simulations are performed using the LAMMPS molecular dynamics code on the

• selected 0°, 30°, 45°, 60°, 75°, and 83° with respect to the surface normal to cover the full range. We will specifically elaborate the discussion of the grazing incidence angles, which are of interest regarding the applications of ultralow-energy Ar ion beams. The innovative parts of the simulation

• implantation of higher-energy argon ions. To elaborate the analysis of the amorphization coefficient, we plotted the variation of the thickness for each region of interest for all simulation conditions. In Figure 3, we show the evolution of the slab thickness for the amorphous and partially amorphous regions

Cross-sectional Kelvin probe force microscopy on III–V epitaxial multilayer stacks: challenges and perspectives

• Mattia da Lisca,
• José Alvarez,
• James P. Connolly,
• Nicolas Vaissiere,
• Karim Mekhazni,
• Jean Decobert and
• Jean-Paul Kleider

Beilstein J. Nanotechnol. 2023, 14, 725–737, doi:10.3762/bjnano.14.59

• minimize the Dember effect since its contribution becomes significant only under high-injection conditions [20]. KP modelling In order to analyse the experimental characterization, scanning KP simulation was performed using the ATLAS software from Silvaco Inc. [21], controlled by the in-house software

• . Additionally, the detected surface potential change related to the space charge region at the GaInAsP:Zn/GaInAs:Zn interface is higher and closer to the simulation. As described in the Experimental section (“Kelvin probe force microscopy”), the SPV can be calculated by applying Equation 2 to the experimental

Humidity-dependent electrical performance of CuO nanowire networks studied by electrochemical impedance spectroscopy

• Jelena Kosmaca,
• Juris Katkevics,
• Jana Andzane,
• Raitis Sondors,
• Liga Jasulaneca,
• Raimonds Meija,
• Kiryl Niherysh,
• Yelyzaveta Rublova and
• Donats Erts

Beilstein J. Nanotechnol. 2023, 14, 683–691, doi:10.3762/bjnano.14.54

• analysis (FRA) “Fit and Simulation 1.7”, which uses a non-linear least squares methods defined elsewhere [35]. For the impedance spectra, error values of the Kramers–Kronig complex test (Pseudo chi square) were in the interval from 1.55 × 10−4 to 1.0 × 10−3, “pseudo chi square real” was less than 1.0 × 10

Suspension feeding in Copepoda (Crustacea) – a numerical model of setae acting in concert

• Alexander E. Filippov,
• Wencke Krings and
• Stanislav N. Gorb

Beilstein J. Nanotechnol. 2023, 14, 603–615, doi:10.3762/bjnano.14.50

• these tips are also rather soft and flexible, similar to attachment hairs in insects showing high adhesion at the tips [58]; for in-depth reviews, see [59][60][61]. In contrast, the tips of the long setae did not emit blue signals. The simulation presented here takes into account the actual physical

• note that the large steps in the curves are not caused by the accuracy of the calculations, but appear only as an “optical illusion” due to the presentation of the figure in limited size. In fact, each step is one of the consumption avalanches that appear quasi-periodically during the simulation. At

• simulation are summarized in Figure 6. As seen directly from the plots, the well-pronounced threshold angle is ϕmin = −0.375π. Below this threshold, there is practically zero food consumption. Paradoxically, the quantity of ingested particles is even smaller than in the reference system without setae, that

Thermal transport in kinked nanowires through simulation

• Alexander N. Robillard,
• Graham W. Gibson and
• Ralf Meyer

Beilstein J. Nanotechnol. 2023, 14, 586–602, doi:10.3762/bjnano.14.49

• investigations of kinked, serpentine, or chicaned nanowires, that is, wires with one or more right angles preventing a straight path along the wire between two temperature-controlled areas. While there are studies devoted to simulation [15][16], several examples of synthesis for these nanowires and nanosystems

• noticeable at higher temperatures. This trend couples with system dimensions, where shorter systems exhibit more noticeable effects than longer ones at the same temperature. Overall, both simulation and experiment find significant reductions in thermal transport when bends or kinks are introduced, though the

• to thermal transport, as well as a phonon Monte Carlo (PMC) simulation [26][27][28][29]. MD results will additionally be investigated for effects of lattice orientation in the wires and compared to a simple theoretical investigation of the LoS in these wires. The MD and PMC results cover different

Transferability of interatomic potentials for silicene

• Marcin Maździarz

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

• height h (Å), 2D elastic constants Cij (N/m), 2D Kelvin moduli Ki (N/m), mean absolute percentage error (MAPE) (%), and relative performance measured as normalized timesteps/second in molecular dynamics (MD) simulation. Supporting Information Crystallographic Information Files (CIF) for polymorphs of

Observation of multiple bulk bound states in the continuum modes in a photonic crystal cavity

• Rui Chen,
• Yi Zheng,
• Xingyu Huang,
• Qiaoling Lin,
• Chaochao Ye,
• Meng Xiong,
• Martijn Wubs,
• Yungui Ma,
• Minhao Pu and
• Sanshui Xiao

Beilstein J. Nanotechnol. 2023, 14, 544–551, doi:10.3762/bjnano.14.45

• simulation and experiment. After exciting the BIC cavity at different positions, different resonance peaks are observed. The physical origin of the dependence between the resonance peak and the illuminating position is explained by analyzing the mode profile distribution and further verified by numerical

• influenced by both the radiative part Qr and a nonradiative part Qnr via 1/Q = 1/Qr + 1/Qnr provided that the material is lossless. Qnr incorporates defects such as structural disorder, surface roughness, and fabrication errors. The simulation of the unit cell was performed by COMSOL Multiphysics with

• composed of the same nanoblocks as illustrated in Figure 1a, but with a different period Pb = 800 nm, as shown in Figure 2a. Considering the simulation resources, the numbers of nanoblocks in regions A (Na) and B (Nb) were chosen to be nine and six, respectively. The band diagrams of the structures in

Specific absorption rate of randomly oriented magnetic nanoparticles in a static magnetic field

• Ruslan A. Rytov and
• Nikolai A. Usov

Beilstein J. Nanotechnol. 2023, 14, 485–493, doi:10.3762/bjnano.14.39

• in the vicinity of the FFP has been obtained considering an inhomogeneous dc magnetic field created by two opposite magnetic fluxes, for the case of assemblies with different nanoparticle size distributions. Results and Discussion Numerical simulation Let us consider a dilute assembly of magnetic

• combined action of ac and dc magnetic fields is studied using a numerical simulation based on the solution of the stochastic Landau–Lifshitz equation [17][20][22][23][26]. The SAR of a randomly oriented assembly is calculated in terms of the area of the dynamic hysteresis loop according to the well-known

A mid-infrared focusing grating coupler with a single circular arc element based on germanium on silicon

• Xiaojun Zhu,
• Shuai Li,
• Ang Sun,
• Yongquan Pan,
• Wen Liu,
• Yue Wu,
• Guoan Zhang and
• Yuechun Shi

Beilstein J. Nanotechnol. 2023, 14, 478–484, doi:10.3762/bjnano.14.38

• µm in interval steps of 4 μm in the simulation. wGe is the width of the output Ge waveguide, which is set to 4 μm. The CAE we designed is used to replace a linear grating at the front of the tapered gratings. The focusing effect of the CAE is conducive to coupling the light incident on the surface of

• value of Pout/Pin is around 0.647 obtained from simulation. Thus, an IL value of around 8 dB has been calculated using Equation 2. In order to highlight the advantages of our proposed MIR FGC with a CAE, we have simulated the coupling efficiency of MIR grating couplers with different numbers of CAE and

• conventional tapered linear gratings, as shown in Figure 5. The simulation conditions are Λ = 4.5 μm, f = 0.5, θ = 15°, and hetch = 2 μm. d of the first CAE is 4.35 μm, α of the CAEs is 120°, and period and duty cycle of the CAEs are 4.25 μm and 0.76, respectively. Comparing the coupling efficiency of MIR FGCs