Quasi-guided modes resulting from the band folding effect in a photonic crystal slab for enhanced interactions of matters with free-space radiations

• Kaili Sun,
• Yangjian Cai,
• Uriel Levy and
• Zhanghua Han

Beilstein J. Nanotechnol. 2023, 14, 322–328, doi:10.3762/bjnano.14.27

• Multiphysics. All numerical models are built with 3D structures. The size of the tetrahedral mesh was tested to ensure the numerical convergence of the calculated results. It is seen that the dispersion curve of the GMs f0(kx, ky) is well below that of the light cone (this region is displayed with a dark

Role of titanium and organic precursors in molecular layer deposition of “titanicone” hybrid materials

• Arbresha Muriqi and
• Michael Nolan

Beilstein J. Nanotechnol. 2022, 13, 1240–1255, doi:10.3762/bjnano.13.103

• : 3s²3p⁵, C: 2s22p2 and H: 1s1. Calculations were performed using the Perdew–Burke–Ernzerhof (PBE) exchange–correlation functional [53]. The employed convergence criterion for the energy was 1 × 10−4 eV while that for the forces was −2 × 10−2 eV/Å. The geometry was optimized by relaxing the ionic

Biomimetic chitosan with biocomposite nanomaterials for bone tissue repair and regeneration

• Se-Kwon Kim,
• Sesha Subramanian Murugan,
• Pandurang Appana Dalavi,
• Sebanti Gupta,
• Sukumaran Anil,
• Gi Hun Seong and
• Jayachandran Venkatesan

Beilstein J. Nanotechnol. 2022, 13, 1051–1067, doi:10.3762/bjnano.13.92

• Se-Kwon Kim Sesha Subramanian Murugan Pandurang Appana Dalavi Sebanti Gupta Sukumaran Anil Gi Hun Seong Jayachandran Venkatesan Department of Marine Science and Convergence Engineering, College of Science and Technology, Hanyang University, Gyeonggi-do 11558, Korea Biomaterials Research Laboratory

Theoretical investigations of oxygen vacancy effects in nickel-doped zirconia from ab initio XANES spectroscopy at the oxygen K-edge

• Dick Hartmann Douma,
• Lodvert Tchibota Poaty,
• Alessio Lamperti,
• Stéphane Kenmoe,
• Abdulrafiu Tunde Raji,
• Alberto Debernardi and
• Bernard M’Passi-Mabiala

Beilstein J. Nanotechnol. 2022, 13, 975–985, doi:10.3762/bjnano.13.85

• 2 × 2 × 2 Monkhorst–Pack grid, while convergence thresholds of 10−8 Ry and 10−3 Ry/Bohr have been adopted for the total energy and atomic forces, respectively. The plane wave basis set used to represent the Kohn–Sham (KS) orbitals has a kinetic energy of 50 Ry with 500 Ry as the charge density. The

Micro-structures, nanomechanical properties and flight performance of three beetles with different folding ratios

• Jiyu Sun,
• Pengpeng Li,
• Yongwei Yan,
• Fa Song,
• Nuo Xu and
• Zhijun Zhang

Beilstein J. Nanotechnol. 2022, 13, 845–856, doi:10.3762/bjnano.13.75

• . The transient force curves of the three beetles for a flapping time period of 0.2 s are shown in Figure 5C. The trends of lift and thrust curves of the three beetles show some convergence. As the lift of the beetle increases, the thrust also increases. In addition, the peak of lift and drag produced

Comparative molecular dynamics simulations of thermal conductivities of aqueous and hydrocarbon nanofluids

• Adil Loya,
• Antash Najib,
• Fahad Aziz,
• Asif Khan,
• Guogang Ren and
• Kun Luo

Beilstein J. Nanotechnol. 2022, 13, 620–628, doi:10.3762/bjnano.13.54

• Ghasemi et al. are different. However, the results are in a high degree of agreement with each other. The results of thermal conductivity validation are carried out using heat and current autocorrelation functions. Therefore, for attaining convergence and stability of the readings, it is necessary to

Quantitative dynamic force microscopy with inclined tip oscillation

• Philipp Rahe,
• Daniel Heile,
• Reinhard Olbrich and
• Michael Reichling

Beilstein J. Nanotechnol. 2022, 13, 610–619, doi:10.3762/bjnano.13.53

• presented by the violet dotted curve in Figure 3e for α = 45°. Last, we note that lateral components are virtually absent for large tip–sample distances in this model, leading to a convergence of the Δf() curves in the regime ≫ 1 nm. Force deconvolution for the inclined sampling path The difference in the

Micro- and nanotechnology in biomedical engineering for cartilage tissue regeneration in osteoarthritis

• Zahra Nabizadeh,
• Mahmoud Nasrollahzadeh,
• Hamed Daemi,
• Mohamadreza Baghaban Eslaminejad,
• Ali Akbar Shabani,
• Mehdi Dadashpour,
• Majid Mirmohammadkhani and
• Davood Nasrabadi

Beilstein J. Nanotechnol. 2022, 13, 363–389, doi:10.3762/bjnano.13.31

• least in part, disappointing and frustrating results for patients with osteoarthritis. Recent progress in the design and fabrication of tissue-engineered microscale/nanoscale platforms, which arises from the convergence of stem cell research and nanotechnology methods, has shown promising results in the

Theoretical understanding of electronic and mechanical properties of 1T′ transition metal dichalcogenide crystals

• Seyedeh Alieh Kazemi,
• Sadegh Imani Yengejeh,
• Vei Wang,
• William Wen and
• Yun Wang

Beilstein J. Nanotechnol. 2022, 13, 160–171, doi:10.3762/bjnano.13.11

• force [43][44]. Gamma-centered k-point meshes with a reciprocal space resolution of 0.04 × 2π/Å were utilized. Prior to the calculations, the lattice constants were optimized. All atoms were allowed to relax until the forces were smaller than 0.02 eV/Å. The convergence criterion for the self-consistent

A comprehensive review on electrospun nanohybrid membranes for wastewater treatment

• Senuri Kumarage,
• Imalka Munaweera and
• Nilwala Kottegoda

Beilstein J. Nanotechnol. 2022, 13, 137–159, doi:10.3762/bjnano.13.10

First-principles study of the structural, optoelectronic and thermophysical properties of the π-SnSe for thermoelectric applications

• Muhammad Atif Sattar,
• Najwa Al Bouzieh,
• Maamar Benkraouda and
• Noureddine Amrane

Beilstein J. Nanotechnol. 2021, 12, 1101–1114, doi:10.3762/bjnano.12.82

• hierarchical architecture [2][11][12] as well as through nanostructuring [13][14][15]), retaining the hole mobility [16][17], and by improving the value of the Seebeck coefficient (by tuning the band structure [18] along with a large conduction (valence) band convergence [19][20], electron energy barrier

• modified Becke–Johnson (mBJ) meta-GGA exchange-correlation functional over the optimized structure of π-SnSe generated with PBEsol. For a variety of semiconductors and insulators, the mBJ potential calculates the bandgap in a good agreement with experimental data [53]. To ensure a good energy convergence

A new method for obtaining model-free viscoelastic material properties from atomic force microscopy experiments using discrete integral transform techniques

• Berkin Uluutku,
• Enrique A. López-Guerra and
• Santiago D. Solares

Beilstein J. Nanotechnol. 2021, 12, 1063–1077, doi:10.3762/bjnano.12.79

• periodicity and convergence constraints associated with the DFT, which is better suited for harmonic and/or steady-state excitations. Although the proposed technique can be utilized to analyze different types of experiments, in this work we demonstrate it using classical force–distance experiments (see Figure

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

• might be potentially interesting for engineers as a kind of optimal solution by nature, the biomimetic implications of the discussed results are briefly presented. Keywords: adhesion; attachment devices; biomechanics; convergence; friction; substrate compliance; Review Animal attachment systems

• [122][184][185]. The attachment pad morphology is both an indicator and a result of the complex mesh of adaptations. The presence of hairy and smooth attachment structures within Polyneoptera is shaped by convergence on different levels (Figure 3). While adhesive structures are absent and probably

• exploration of many evolutionary aspects, especially convergence. Limited spatial dispersion and extensive adaptive radiation led to a high degree of convergent traits in Phasmatodea, (e.g., in terms of visual camouflage [184][185][186][187], oviposition techniques [109][188][189][190][191][192][193][194

Determining amplitude and tilt of a lateral force microscopy sensor

• Oliver Gretz,
• Alfred J. Weymouth,
• Thomas Holzmann,
• Korbinian Pürckhauer and
• Franz J. Giessibl

Beilstein J. Nanotechnol. 2021, 12, 517–524, doi:10.3762/bjnano.12.42

• outer “while” loop starts the fitting with the random starting parameters as long as eFIT > eLIM. The parameters are changed in the direction in which the least squares error gets smaller. The order in which the parameters are changed has significant impact on the convergence of the error. The xoffset

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

• further away from the contact region were used. The nodes in red shown in Figure 1a and Figure 1b are fixed in all directions. The mesh was well tested for convergence, that is, further refinement would not result in improving the accuracy of the simulated results. A rigid conical indenter with a half

Imaging of SARS-CoV-2 infected Vero E6 cells by helium ion microscopy

• Natalie Frese,
• Patrick Schmerer,
• Martin Wortmann,
• Matthias Schürmann,
• Matthias König,
• Michael Westphal,
• Friedemann Weber,
• Holger Sudhoff and
• Armin Gölzhäuser

Beilstein J. Nanotechnol. 2021, 12, 172–179, doi:10.3762/bjnano.12.13

• electrons to excite and detect secondary electrons from the sample surface. Due to the high brightness and low energy spread of its atomically sharp gas field ion source, the smallest attainable focused spot size is about 0.3 nm [22]. With its significantly smaller convergence angle compared to SEM, HIM

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

• beam exceeding the local rate capability of the detector. At a distance of 151 mm behind the sample, the beam diameter has only widened to 53 μm and quickly saturates the MCP pores with diameters of 25 μm, for a beam with 0.35 mrad convergence. The high local current density temporarily discharges the

Detecting stable adsorbates of (1S)-camphor on Cu(111) with Bayesian optimization

• Jari Järvi,
• Patrick Rinke and
• Milica Todorović

Beilstein J. Nanotechnol. 2020, 11, 1577–1589, doi:10.3762/bjnano.11.140

• an adsorbed camphor molecule (ΔqC, ΔqO, and ΔqH, respectively) and the total partial charge of the camphor molecule (Δq). Supporting Information Supporting information features camphor geometry in global minimum conformer search, convergence of the 6D surrogate model, and coordinates of camphor in

• the predicted and relaxed stable structures. Supporting Information File 128: Camphor global minimum conformer, convergence of the 6D model, and coordinates of camphor. Acknowledgements The authors wish to acknowledge CSC – IT Center for Science, Finland, and the Aalto Science-IT project for generous

Structural and electronic properties of SnO₂ doped with non-metal elements

• Jianyuan Yu,
• Yingeng Wang,
• Yan Huang,
• Xiuwen Wang,
• Jing Guo,
• Jingkai Yang and
• Hongli Zhao

Beilstein J. Nanotechnol. 2020, 11, 1321–1328, doi:10.3762/bjnano.11.116

• configuration in the system are Sn 5s25p2, O 2s22p4, N 2s22p3, C 2s22p2, B 2s22p1, and F 2s22p6, S 3s23p4. The calculation parameters of the doping system were as follows: The plane waves cut-off energy is 571.4 eV, the Brillouin zone k-space was divided by 2 × 3 × 8, the convergence accuracy of each atom was

Nonadiabatic superconductivity in a Li-intercalated hexagonal boron nitride bilayer

• Kamila A. Szewczyk,
• Izabela A. Domagalska,
• Artur P. Durajski and
• Radosław Szczęśniak

Beilstein J. Nanotechnol. 2020, 11, 1178–1189, doi:10.3762/bjnano.11.102

• considerations, we assumed that this number (M) is 4000, which ensured the appropriate convergence of solutions of the Eliashberg equations for a temperature higher or equal to T0 = 4 K. Due to the lack of experimental data in the examined physical system we took into account the Coulomb pseudopotential in a

Effect of magnetic field, heat generation and absorption on nanofluid flow over a nonlinear stretching sheet

• Santoshi Misra and
• Govardhan Kamatam

Beilstein J. Nanotechnol. 2020, 11, 976–990, doi:10.3762/bjnano.11.82

• method and assigning an approximate initial value with step size h = 0.01 and η = 4 at the maximum value. The solution is obtained for different parameters used and convergence is achieved with a change in a single parameter. The criteria for convergence are the approximation up to three significant

Light–matter interactions in two-dimensional layered WSe₂ for gauging evolution of phonon dynamics

• Avra S. Bandyopadhyay,
• Chandan Biswas and
• Anupama B. Kaul

Beilstein J. Nanotechnol. 2020, 11, 782–797, doi:10.3762/bjnano.11.63

• Raman active mode in 1L, ML and bulk WSe2 which is shown in Figure 4e. It was found that at high T there was a convergence of , indicating that the phonon–phonon scattering was dominant in all the specimens which governed the decay mechanism at high T. In contrast, at low T, τ (Figure 4a and 4b) and

Understanding nanoparticle flow with a new in vitro experimental and computational approach using hydrogel channels

• Armel Boutchuen,
• Dell Zimmerman,
• Abdollah Arabshahi,
• John Melnyczuk and
• Soubantika Palchoudhury

Beilstein J. Nanotechnol. 2020, 11, 296–309, doi:10.3762/bjnano.11.22

• geometry is an unbent circular tube, the structured mesh is found suitable for the better convergence of simulations. A grid refinement study was made with several different structured meshes in each coordinate direction. The effect of altering the cell size was investigated with grids of 65, 129 and 193

A review of demodulation techniques for multifrequency atomic force microscopy

• David M. Harcombe,
• Michael G. Ruppert and
• Andrew J. Fleming

Beilstein J. Nanotechnol. 2020, 11, 76–91, doi:10.3762/bjnano.11.8

• scalar gain γ instead of updating covariance matrix and Kalman gain equations. This gives the Lyapunov filter a computational complexity of as additional frequencies are modeled, a significant improvement over the Kalman filter. A key property of the Lyapunov filter is exponential convergence of the

• estimated states [56], with the tunable loop gain γ governing the speed of convergence. The multifrequency Lyapunov filter is implemented as parallel linear observers tuned to a particular frequency ωi, as depicted in Figure 6. An error signal is generated by feeding back an estimate of the input signal as

• this form, represents the estimated input signal and the amplitude Ai and phase ϕi estimates are found by applying Equation 4 to each quadrature and in-phase pair of . A key property to ensure exponential convergence of to x is to guarantee that C is persistently excited [56]. Convergence is shown

Nonlinear absorption and scattering of a single plasmonic nanostructure characterized by x-scan technique

• Tushar C. Jagadale,
• Dhanya S. Murali and
• Shi-Wei Chu

Beilstein J. Nanotechnol. 2019, 10, 2182–2191, doi:10.3762/bjnano.10.211

• /convergence, which is determined by the real part of the nonlinear refractive index in the thin sample. When there is no nonlinearity, the transmittance is again constant no matter where the thin sample is. When nonlinear refractive index exists, the sample acts like a z-dependent lens that modifies the